smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)C1=c2s/c(=C\c3cccc(Br)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(Br)c1 1739399 XXJZOSXNPJNWJT-UDKWZTAFSA-N 587.293 3.426 50 40 KGGB CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100553180 QIIDVOHFBZRLFU-DBPPRATBSA-N 586.233 3.123 50 40 KGGB C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2CCN(C)CC2)c2ccc(Br)cc21)c1ccc(Br)cc1 100585722 QVEFUHIIYIUWOX-XTOZEOPSSA-N 606.319 3.024 50 40 KGGB O=C(COc1ccccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)Nc1ccc(Br)cc1 103012220 VSVYQFVUNBPRQS-UHFFFAOYSA-N 601.479 3.326 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC[C@@H]2C)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409310631 BPZWVNJTSZLWFN-SVIJTADQSA-N 536.448 3.330 50 40 KGGB O=P(NCCO)(OC[C@@H](Br)CBr)OC[C@@H](Br)CBr 1762667 VJTSWFWOTCORGI-YUMQZZPRSA-N 540.809 3.026 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1Br 20213447 MPFNHFHNWZSJCO-MFKUBSTISA-N 516.421 3.256 50 40 KGGB COc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1 408726555 OMILFVNDLUOJOG-QGMBQPNBSA-N 522.080 3.374 50 40 KGGB C=CCOc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OCC=C)c(OC)c2)C=3C#N)cc1OC 408976077 PDNXGELAKOVNPQ-GFLNRZERSA-N 554.628 3.008 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 3300146 MGSZOEALRNGKOH-UHFFFAOYSA-N 501.630 3.056 50 40 KGGB COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 98001542 RGLUMKDKDDGTOF-VFLNYLIXSA-N 615.393 3.482 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(F)cc1 101346948 JJBGZZLDGGPOQJ-MXAYSNPKSA-N 541.361 3.190 50 40 KGGB COc1cc(OC)c(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1Br 101655951 XJIZQNHPLUMYFI-SGYITJBJSA-N 564.396 3.324 50 40 KGGB CSCC[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 103551939 IBJXLVDWIALGNG-BEDJCWEPSA-N 573.303 3.312 50 40 KGGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)c1 408691377 ZOKAAYDBTCPYLB-SAIKNWJPSA-N 562.362 3.369 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408864687 YGJCDSUPEJBGPI-MOCCXMHUSA-N 594.690 3.023 50 40 KGGB COC(=O)COc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I 409241803 OVMGLLQFUMAXMH-AFPJDJCSSA-N 596.134 3.280 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409254078 WLNREDAZRMYNPC-IPPBACCNSA-N 508.497 3.104 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3Br)c2=O)=C(C#N)[C@@H]1c1ccccc1Br 2262130 WDAUHMDDMHMZJO-PMEBHBLGSA-N 540.240 3.386 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccc(Cl)c2Cl)c1CN1CCCc2ccccc21 33887646 ZCMVZQRPQWWDKU-RAWMCFOBSA-N 512.361 3.256 50 40 KGGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)cc2)c1 408532705 IULXTALYONKSAT-VOZXZEHESA-N 609.380 3.467 50 40 KGGB C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1cccc(I)c1 408778087 ANIIMEQIGYSWIW-LFVJCYFKSA-N 534.379 3.422 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2OC)c(OC)c1 408953213 LTQONDOWTWSPRU-WRXACXFYSA-N 567.643 3.270 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C3CCN(C)CC3)c([N+](=O)[O-])c2)c(OC)c1 408957387 UGZQWTMWYSKCRD-JGYBBDCXSA-N 608.652 3.133 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1 409259135 XSPZARQETLTMFR-RPPGKUMJSA-N 513.348 3.135 50 40 KGGB CC1=C(C(=O)OC(C)(C)C)[C@]2(C(=O)N(CC(=O)OCc3ccccc3)c3ccccc32)C(C#N)=C(N)O1 989406 UKZNWNVUWNCZGV-MUUNZHRXSA-N 501.539 3.354 50 40 KGGB CCOc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 100042702 PHRDVINHDKXSMP-FJEPWZHXSA-N 580.550 3.119 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 408607057 BOGKKSLUNKSQTA-YPXUMCKCSA-N 514.888 3.360 50 40 KGGB O=C(CCN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1 408671494 YVDLZCIRSDVMOX-CSVUYUCVSA-N 534.399 3.431 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1C 408686518 NHIDYUSYLYSGIM-AYCMENBISA-N 532.218 3.013 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 408863814 QHJGXPIIJLEZKO-CVKSISIWSA-N 515.975 3.237 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)C)cc1 408947517 NURAMPVADHKKEZ-DEOSSOPVSA-N 510.616 3.359 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409114139 CPHNCASWIGYNKI-WPWMEQJKSA-N 527.599 3.457 50 40 KGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1OC 2138094 PGXXRTMKDLYQFH-HSZRJFAPSA-N 519.554 3.466 50 40 KGGB biogenic COC(=O)C1=c2s/c(=C/c3cc(Br)ccc3F)c(=O)n2C(N)=C(C#N)[C@@H]1c1cc(Br)ccc1F 8448482 MCWJIBCGCCNHGN-XCVDJSHCSA-N 609.246 3.314 50 40 KGGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 28213042 FGSBDNNABYFUIU-YLNVQIAQSA-N 522.627 3.168 50 40 KGGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1Cl 408686999 OEWYJUVDMJDVSW-RRBVXWDCSA-N 576.669 3.297 50 40 KGGB CCOc1cc(/C=N/NC(=O)C2(C)OCCO2)cc(I)c1OCc1ccccc1 408727928 ZQAQLYDVGCUQDU-YDZHTSKRSA-N 510.328 3.482 50 40 KGGB Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccco2)c1 409261832 DJWZTLPXMLCQKA-KKMKTNMSSA-N 527.375 3.443 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)cc2OC)cc1 409262098 FBKUOHZLHJLFIT-OCSSWDANSA-N 518.570 3.050 50 40 KGGB COCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100376133 JADOXBAUJRJNOQ-MUXKCCDJSA-N 567.451 3.190 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccccc3Br)C2=O)cc1OC 101005472 MIWSMRKQDHHVSL-YVLHZVERSA-N 536.429 3.129 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 408870255 VQSJZCVKXSWPSP-AJBULDERSA-N 626.757 3.390 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(I)c1OCC(N)=O 409002511 OBONVNRDENMZKC-OEHLLJELSA-N 776.391 3.199 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)cc1OC 409151349 GHHIEFINKBNNLO-IBBHUPRXSA-N 601.429 3.432 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C 409164606 KXMJNTRRTCLQTO-MYTNFEDCSA-N 642.878 3.415 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(C)cc1C 409165178 UHVZNWAYWWOWCS-IBBHUPRXSA-N 546.580 3.215 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(OC)c3)c2)cc1 409262067 CLFBTSFCMZLIDK-OGLMXYFKSA-N 502.527 3.366 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1 409268257 YMWVDURVZPJINS-MZJWZYIUSA-N 533.423 3.156 50 40 KGGB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)NNC(=O)c1ccc(Br)cc1 102910297 LJVRZDPRCCAQKQ-UHFFFAOYSA-N 529.313 3.084 50 40 KGGB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)NNC(=O)c1ccc(Br)cc1 408669268 OBNFHJXMYKFZGR-GFCCVEGCSA-N 529.174 3.113 50 40 KGGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408761318 IJHDUIHBWZHKPU-GZTJUZNOSA-N 521.389 3.300 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408774897 DJXIOFPBQLXUGF-CVKSISIWSA-N 511.556 3.056 50 40 KGGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1Cl 408781911 FPZSUTOTZCMFEL-KSEXSDGBSA-N 539.795 3.263 50 40 KGGB O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccccc2)cc1 8398542 HNLQCENVVQRLEE-CZYCKNNWSA-N 512.570 3.425 50 40 KGGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1 101009862 XMBAWMXIYJMBCQ-RHANQZHGSA-N 538.524 3.185 50 40 KGGB C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 103084469 IAYKLPSNGSXESC-UHFFFAOYSA-N 527.986 3.339 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408688364 QQQUYAGQDHIKKT-PAQFTFEBSA-N 537.572 3.234 50 40 KGGB CCOc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)ccc1OCC(=O)N1CCOCC1 409010469 FCJYRJAKSDHEFA-QFEZKATASA-N 514.629 3.175 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)c(OC)c2)cc1 409261831 DJWRQBCOMXDPHX-WKULSOCRSA-N 524.961 3.141 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409318256 XZDYILKKMXCXDC-FCHUYYIVSA-N 507.568 3.200 50 40 KGGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 102943219 JEAXIHWVBYUART-OQKWZONESA-N 563.636 3.317 50 40 KGGB O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 196166559 YVFVDBMGFFVEOG-QURGRASLSA-N 794.788 3.398 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408690606 WBEHUTGKNBCFOQ-SYQHCUMBSA-N 570.156 3.109 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1cccc(Br)c1 408829154 KUEXSPCODZNVKL-LQKURTRISA-N 573.469 3.061 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC#N)c(OC)c1 408952612 WHZXLSCBPOEQQC-QHCPKHFHSA-N 663.494 3.087 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)ccc1OCc1ccc2c(c1)OCO2 409003770 UTYWHFNSZVYYBM-MAEMAISXSA-N 684.702 3.173 50 40 KGGB C#CCOc1c(I)cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC 409124881 LEJNTSMZTFREDX-IBGZPJMESA-N 503.340 3.432 50 40 KGGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1I 409191221 DQCKKPMWCYBJDP-SDQBBNPISA-N 580.160 3.413 50 40 KGGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1OC 9805741 PCAFNXRBGNYIQV-OQLLNIDSSA-N 504.568 3.305 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccccc2)c(OC)c1 19950500 UWCOKFOCUKZREJ-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccccc3OCC)S(C)(=O)=O)o2)cc1 20210544 CEPIFRVAOAXULR-WGOQTCKBSA-N 513.572 3.438 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1)NCCc1ccccc1 100054299 AEHBWTQKWQXGLP-LQKURTRISA-N 523.387 3.276 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccc(O)c(O)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100770601 LBQUZEGPLOWJBH-USSKDUIESA-N 519.591 3.288 50 40 KGGB biogenic C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408684676 KFEIKFIFGBTSGX-QMMMGPOBSA-N 533.151 3.289 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408782814 ZFBBIAKCWRJIHI-JVWAILMASA-N 540.598 3.016 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c(OC)c1 408925654 VINZXKXCTQWUHQ-RJRLBWOVSA-N 519.558 3.205 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409150215 AMKMQYIRFLMANE-CCVNUDIWSA-N 563.449 3.165 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 409166174 CODUDXLNEZLJEX-WBFLIZMFSA-N 626.302 3.291 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=C(C(N)=O)[C@H]1c1ccc(Cl)cc1Cl 1260494 FRHBCCNGPCQBTD-JVMBSBNBSA-N 538.243 3.436 50 40 KGGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 1314060 BCOCWDQCPRYCFE-NCYKPQTJSA-N 519.311 3.376 50 40 KGGB O=C(NNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)OCO2 3446937 VHLJACMDWQKOOQ-XMMPIXPASA-N 529.574 3.145 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1OCC 20209759 CVPUOTKSKLFRSA-OEAKJJBVSA-N 510.410 3.329 50 40 KGGB Cc1cc(C(=O)NNC(=S)Nc2cnn(Cc3ccc(Br)cc3)c2)c2c(C)nn(C)c2n1 22837571 DNVPZUNLIMIBAI-UHFFFAOYSA-N 513.425 3.224 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59459795 GMJLJLVJUOELAX-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB COc1ccc(CC(=O)N/N=C/c2cc(I)cc(I)c2O)cc1OC 97961111 KAFKPLOCRADQRY-AWQFTUOYSA-N 566.133 3.311 50 40 KGGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 105584651 WLVFOWJQGVZUGO-JEWPKMHUSA-N 581.503 3.208 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408690548 VVADPJFIZOGZNR-PBDPTEOLSA-N 607.093 3.097 50 40 KGGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3I)s2)cc1O 408732822 ZRSXFWIHNYZQKH-SSDVNMTOSA-N 551.366 3.192 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(NC(C)=O)cc3)o2)cc1 408878468 BBJRGABUMDXAMI-ZSNJKBEMSA-N 702.746 3.011 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(I)c1OCC(=O)O 409039322 CMSPOAZUJPAQQJ-LZYBPNLTSA-N 506.296 3.377 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 409221329 OPLBFGWVCLSHLQ-QPEQYQDCSA-N 505.300 3.106 50 40 KGGB CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OC)c2)cc1OCC 409322832 YFHPNKCAWNNVNR-ROTLSHHCSA-N 555.369 3.115 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547947 SESJPKDFMSPWAF-FDBZCLHMSA-N 538.626 3.145 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3ccc(Br)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(Br)cc1 2334282 XCGGMIQEFLEQBM-PMEBHBLGSA-N 540.240 3.386 50 40 KGGB Cc1ccc(NCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1 98001349 UEBSKFCISGHCQI-DNTJNYDQSA-N 535.123 3.472 50 40 KGGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OCCOCCOc2ccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 150348232 HCWXLPQNEWXYQI-UHFFFAOYSA-N 672.607 3.127 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1OC 408870430 DNDCDGDFVYSBPW-BGHCKBSUSA-N 540.436 3.336 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OC)cc2Br)c(OC)c1 408954939 NTLYHDBFXOGBPP-RLONDSQRSA-N 605.442 3.195 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)c1C#N 409008291 VIRNXQALXKANDG-OXUBWTJQSA-N 571.340 3.356 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1CN1CCCCC1 2204547 KVDIZLAAVIJWGR-CCVNUDIWSA-N 535.996 3.215 50 40 KGGB O=C(NN1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccc([N+](=O)[O-])cc1 9591169 HQSIDDBZPPZALP-QAPCUYQASA-N 508.314 3.165 50 40 KGGB O=C(COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NC[C@@H]1CCCO1 100398381 BXFOGQGXWXIVBV-RKRAEDNPSA-N 613.136 3.398 50 40 KGGB CN1CCN(CN2C(=O)/C(=N/NC(=O)COc3cccc4ccccc34)c3cc(Br)ccc32)CC1 100913576 IKGAIQRODAMVML-XLVZBRSZSA-N 536.430 3.053 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(I)c1OCC(=O)O 408748596 FTZLNRGLSLBGMW-DNTJNYDQSA-N 533.116 3.290 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408833785 YIVHVNHQHBQSLF-WPWMEQJKSA-N 527.599 3.457 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1c(C)[nH]c2ccccc12 1529548047 WIHFNGRPRINKCP-GLYQIKNISA-N 505.600 3.361 50 40 KGGB O=C(N/N=C\c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1)C(=O)N/N=C/c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1 102142510 BSPWGJOMCQPKOY-UIXGLJBASA-N 548.424 3.035 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(I)c2O)c(OC)c1 408947762 BHDWOWMGPPTBMO-NIXKDODNSA-N 642.834 3.379 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1[N+](=O)[O-] 408958042 XFYPKUBVDALDGV-FXCAZYBOSA-N 692.476 3.028 50 40 KGGB CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OCC)c2)cc1OCC 409314872 SVKPKCOCGXZIHR-ROTLSHHCSA-N 555.369 3.115 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 20168843 WIOIWGCOFRWMAN-HRJIBFCWSA-N 516.554 3.208 50 40 KGGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408678125 CPGDDCLQYPMJTR-VJQWSGFBSA-N 544.310 3.111 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc(I)c1OCC(N)=O 408816372 RQIMEYLNCYBRHT-OVCLIPMQSA-N 535.338 3.417 50 40 KGGB CCOC(=O)COc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408941557 DWAKMUJBJYBZNN-RUZDIDTESA-N 619.096 3.176 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(I)cc1 408945541 KYOIURQENONRNX-OAQYLSRUSA-N 578.432 3.176 50 40 KGGB C#CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529548053 WJHYYGHTAZCRLN-WIGBRQBFSA-N 632.480 3.188 50 40 KGGB CCN(CC)Cc1c(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nnn1-c1nonc1N 1781984 XIHJSTKDNGFQSW-UVHMKAGCSA-N 511.631 3.139 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770087 RZWBEOULEGRCOP-IRLDBZIGSA-N 518.595 3.461 50 40 KGGB CCCCN(CCCC)C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])/C(C)=N/NC(=O)C[N+](C)(C)C 16957723 UOAMPZWVUJHLKD-AHDHHBBCSA-O 522.627 3.158 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19956038 KZYKDTOBCFODBI-MFKUBSTISA-N 512.544 3.266 50 40 KGGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 59646670 GZPNYFNDGHWCGZ-WYMPLXKRSA-N 561.370 3.432 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c(OC)c1 408837106 YWBBYVXPFZQNOE-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c(OC)c1 408921632 BIGFXEFLSXRANB-WWLVVLNESA-N 593.549 3.202 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC(C)=O)c(OC)c1 408942538 GDWUPCIMZWZLDM-HSZRJFAPSA-N 619.494 3.268 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCC(N)=O)c(Br)c2)c2ccccc2)cc1 409001787 KLEXHFAQYBRPHE-FEGPCZTRSA-N 573.469 3.182 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC 409121227 TUVBZSNISHSRCU-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB CCOc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1O 409139562 BJYJJMKKGIGDGM-WGOQTCKBSA-N 513.572 3.154 50 40 KGGB CCOc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)cc1OC 409370899 DCKZYHHKRSIZLJ-QRQIAZFYSA-N 541.626 3.452 50 40 KGGB COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1OC 6073826 UIKBGOBNHLUCJG-JVWAILMASA-N 524.599 3.003 50 40 KGGB CCOc1cc(Br)c(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC 101311332 DFSDXSQWXZMUJM-UHGMBUMLSA-N 511.847 3.087 50 40 KGGB CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@]34C=C[C@@]5(C[C@H](OC(C)=O)CC[C@]5(C)C3=CC[C@]12C)[C@H]1C(=O)OC(=O)[C@@H]14 263611431 XCRYSOZAEGNUJX-POWXEEKMSA-N 510.583 3.475 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)ccc1OCC(=O)Nc1ccccc1C 409006967 LUPAXNALVFMUNJ-IBBHUPRXSA-N 545.596 3.050 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 409261796 BJWRZMWEJJOIOQ-WKULSOCRSA-N 508.962 3.441 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1 1529548486 HJYBINIKIJECQL-UAXWITGPSA-N 547.033 3.329 50 40 KGGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)CSc1nc2ccccc2[nH]1 8820341 ROLGUOIGKICIEK-LFIBNONCSA-N 501.615 3.077 50 40 KGGB C[C@H](Sc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccc(N(C)C)o2)s1)C(=O)N/N=C/c1ccc(N(C)C)o1 100953334 AIKQSBLUSRLZBD-CYKDIAAXSA-N 564.719 3.118 50 40 KGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408530302 DXMNLCJEBRJFML-MMOHFDRGSA-N 517.929 3.136 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OC 408939761 BLICRMQISMMOJA-JOCHJYFZSA-N 517.007 3.234 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(O)cc1Br 408949013 QFSWCIMTYCLACA-JOCHJYFZSA-N 577.457 3.048 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)c(=O)c1C#N 409003469 HDZASEONGIQATD-AAPHRLRXSA-N 610.465 3.422 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409252430 BQVJYPKRLDLOSI-OKCVXOCRSA-N 502.571 3.404 50 40 KGGB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(Br)cc2)cc1 409379311 WRCAOROVYZSKES-FGZHOGPDSA-N 583.391 3.363 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)c(OC)c1 20210787 KIWZQNOJNFJFBW-JVWAILMASA-N 527.599 3.208 50 40 KGGB O=C(COc1ccc(Br)cc1NNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NCc1ccco1 408602566 DSXHRTNRVLLKHG-INIZCTEOSA-N 527.375 3.234 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408680711 DTHRWPQYAZYCBY-JQLYTQCRSA-N 628.314 3.292 50 40 KGGB O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1cc(Br)ccc1O 408732505 VYOBBQXBKUCYOI-AWQFTUOYSA-N 520.325 3.251 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c(OC)c1 408922978 IBIGZBGFJLAVBO-NBVBKBLUSA-N 537.356 3.038 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccccc1Cl 409170232 USRUEXZONBBUQM-LUOAPIJWSA-N 610.792 3.330 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1O 1529546883 IAPHVMFVDDVCKL-ILVDQRLLSA-N 547.431 3.040 50 40 KGGB COc1cc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC(C)C)c(OC)c2)C=3C#N)ccc1OC(C)C 98044623 AJWIGLCUBHJZNL-DVJWVWDMSA-N 558.660 3.453 50 40 KGGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cccc2OC)cc1 408611698 RRNLSPFINBXQFA-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1 408684383 JUSMFWASCNBIMY-SAIKNWJPSA-N 517.365 3.461 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)Nc1ccc(F)cc1 408838337 VDCRIQJLRAQPOH-ZWDSVTPMSA-N 679.752 3.057 50 40 KGGB C#CCOc1c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 408954819 ZRVAYEYONIYKHF-XMMPIXPASA-N 662.506 3.197 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(C)(=O)=O 28213369 SPCSFMCILIISGO-WPWMEQJKSA-N 524.599 3.019 50 40 KGGB CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)COCC(=O)Nc2ccc(/C=C(\C#N)C(=O)OCC)cc2)cc1 97984209 TYXVWXXUPHRRFO-VOKWCDJLSA-N 530.537 3.221 50 40 KGGB COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@]21C(=O)N(CC(=O)Nc2ccc(OC)cc2)c2ccccc21 98008978 IMPMUDAEINSECV-HHHXNRCGSA-N 530.562 3.209 50 40 KGGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-] 101002248 JXFWAGAHZHWRSO-WJDWOHSUSA-N 535.401 3.410 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc(Br)c1OC 408858719 OQKIWYCIOZGEJV-LSHDLFTRSA-N 518.817 3.344 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408880235 FLFDDFGIXIHUSW-NIVXUIPCSA-N 624.716 3.032 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC)c(OC)c2)c(OC)c1 408950727 HLPPXPVOLBVTQK-OHPKEMRTSA-N 575.018 3.476 50 40 KGGB Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(C)c1 409157842 QJXNIFOUUUAPCF-CEZAJYOJSA-N 545.434 3.137 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 409261107 BEUNQBJKZBEHER-IBBHUPRXSA-N 528.487 3.498 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCC#N 1529549044 SFCZOFJGPWORAF-MLVHTHFLSA-N 586.468 3.236 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2ccc(C)cc2)cc1OC 19955604 UUDMAIJPGJEYAF-JVWAILMASA-N 525.583 3.283 50 40 KGGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1Br 408753545 NHXDNWKUWKCZSB-NVAXRVGSSA-N 510.410 3.136 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408764781 NDSWQQLIVRLZJV-OEAKJJBVSA-N 514.472 3.433 50 40 KGGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1I 408817380 NGBYJBPDYIVLCM-SXGWCWSVSA-N 506.296 3.075 50 40 KGGB CCOC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408948091 BWFABHLBAUETJK-HLPRYJLASA-N 603.028 3.011 50 40 KGGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 2449848 GLRPGNFOWKEXCY-BMQCOBNYSA-N 519.366 3.004 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 408609786 LKVGLHJFUJKBKP-QAYGKXGKSA-N 533.423 3.457 50 40 KGGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409163702 WPDNVKJPFACGMN-RWPZCVJISA-N 504.543 3.427 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409271328 UVWNCHWPUATTKX-PLZMCAGMSA-N 531.009 3.118 50 40 KGGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1 409379668 ZLJIDJPBOXTIKT-CLJLJLNGSA-N 595.564 3.236 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)N(c3ccc(OC)cc3)S(C)(=O)=O)cc2)cc1 103901909 MOFRRPZKJCXSSZ-XTFCHBONSA-N 554.625 3.026 50 40 KGGB C#CCOc1c(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(Br)cc1OC 408956540 RBMXFCBMDUFSMW-ACHIOISYSA-N 629.464 3.198 50 40 KGGB Cc1cc(OCC(=O)NNC(=S)NC(=O)c2ccccc2I)cc(C)c1Cl 2135965 OSOJRIGXGYQQRM-UHFFFAOYSA-N 517.776 3.276 50 40 KGGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 8763922 YZEOKTVWEWEZAO-ATVHPVEESA-N 501.362 3.384 50 40 KGGB COc1ccc(-c2cc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)c3ccccc3n2)cc1OC 24755657 DBJGYMJONPAAOI-UHFFFAOYSA-N 519.583 3.287 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OCC 408970674 JYWOOBUPPJBCDF-OVVQPSECSA-N 533.647 3.442 50 40 KGGB CCOC(=O)COc1c(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 1529549173 UHNORKDPZHJQHD-NKFQWXKNSA-N 710.547 3.127 50 40 KGGB Cc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 3178632 ZYYXIDRIXNTDTD-MTDXEUNCSA-N 517.611 3.138 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(Cl)cc2)cc1 59884847 FYTYZKQGZIZSTG-ZZEVNCIZSA-N 615.108 3.368 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 97960496 DJOOWCWYOKNGNW-JVWAILMASA-N 543.598 3.075 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)cc1Br 408905706 CRAACSJWLKDULS-RUDKWAFVSA-N 520.380 3.199 50 40 KGGB C#CCOc1c(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(Br)cc1OC 408956541 RBMXFCBMDUFSMW-MDTWIARKSA-N 629.464 3.198 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2ccccc2)cc1OC 409112507 DCPJUPHISSKJGT-JVWAILMASA-N 543.598 3.075 50 40 KGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cccc(Br)c1 409379882 AVFXGANUHYXJEG-FSJBWODESA-N 525.197 3.213 50 40 KGGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1058349 XWEWMHPSYOJXHM-QPJQQBGISA-N 535.156 3.049 50 40 KGGB CCOc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 13895158 XMPFCXQWBKLXHK-QXFNRMSRSA-N 518.482 3.349 50 40 KGGB C/C(=N\NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 20214392 DPOKSNHETITJLA-KOEQRZSOSA-N 510.528 3.102 50 40 KGGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103558301 BCOCWDQCPRYCFE-CGXNFDGLSA-N 519.311 3.376 50 40 KGGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NC[C@H]1CCCO1 104680012 CHQXIONFZNTABN-GADSPAKWSA-N 599.109 3.355 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCC)c(OC)c1 408948735 DMFZLYFRMXYJOX-DFSPORNYSA-N 666.469 3.427 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 408982382 XTZIKQBMWZCLFG-MTDXEUNCSA-N 541.626 3.105 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409159562 NPKKZSRFBNZMLC-JJKQSNDFSA-N 572.496 3.227 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409256397 OHZCNCXVMIXVCZ-OKCVXOCRSA-N 502.571 3.404 50 40 KGGB Cn1cnnc1Sc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3s2)cc1[N+](=O)[O-] 3425705 YCVKZFBASNXFDU-UHFFFAOYSA-N 501.575 3.038 50 40 KGGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccc([N+](=O)[O-])cc1 100460443 LUMQHMKRKJSMCF-REZTVBANSA-N 537.051 3.274 50 40 KGGB CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC(C)=O)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1 100858601 ZZAYBZGODPCABE-LGJNPRDNSA-N 543.602 3.167 50 40 KGGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253486923 BCOCWDQCPRYCFE-IVAOSVALSA-N 519.311 3.376 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc2ccccc12 408685601 LTZWIRKJNGNOLW-NCOADZHNSA-N 552.219 3.244 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408749550 HMFCMADZDNGOAB-JFLMPSFJSA-N 574.371 3.238 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)C(C)C)cc1 408751580 AAMYQJKFMNXRMU-NHVVDLMHSA-N 574.637 3.124 50 40 KGGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc(Br)c3)CC2)cc1OC 408971125 MRXQBLDVKSWFAE-OEAKJJBVSA-N 510.410 3.017 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409264367 FFIGQUWTXIQQLJ-VFLNYLIXSA-N 522.945 3.161 50 40 KGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1 409368280 RBODESBQTFVPJF-UFWORHAWSA-N 502.106 3.482 50 40 KGGB CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=O)c3cccc(Cl)c3)cc2)cc1 3346478 PSJXUTDVHFMYCG-UHFFFAOYSA-N 517.991 3.404 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 8452632 WPQFZRMXCSOOEY-OCSSWDANSA-N 502.571 3.486 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 19951470 LPJQRHKOIFEOCQ-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)cc1OC 20211404 GHLVBRZWSMBRQC-MTDXEUNCSA-N 524.599 3.263 50 40 KGGB O=C(NCc1ccncc1)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100398306 GNYPYBAIADRNLC-LJUMEUDFSA-N 566.039 3.486 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)NC[C@@H]1CCCO1 100405904 BZADLOKHFQXEIV-XOQNYUNISA-N 526.899 3.122 50 40 KGGB C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@@H]([C@H](OC(C)=O)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]1Cl)[C@@]1(C)O[C@@H]1C[C@H]2OC(C)=O 102940383 ALCDJXWWURFGPE-JKUKQAGMSA-N 527.010 3.100 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC(C)C)c(OC)c2)c(OC)c1 408956279 QKROHKQDPMXCJV-WZAVBVGXSA-N 554.600 3.211 50 40 KGGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 409185970 UBJHHQPNPAUVRS-PPOKSSTKSA-N 644.754 3.221 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409253752 VCVDGIFHBFMQRF-XODNFHPESA-N 512.950 3.424 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1OC 13785344 BOMQFVIRLWGQQZ-QRGARVHWSA-N 513.554 3.342 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100331945 JIHZLJUOJWJTRY-WPWMEQJKSA-N 570.580 3.119 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCC(=O)NCCc3ccc(O)c(O)c3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100779196 FSMRLDDRGQABHK-LHYQTFFLSA-N 604.697 3.184 50 40 KGGB CCN(CC)CN1C(=O)/C(=N\NC(=O)CO/N=C(\C)c2ccc(OC)cc2)c2cc(Br)ccc21 101041868 UHABIHQUYBRPDQ-OVIKXFGCSA-N 530.423 3.365 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1)NCc1ccco1 408612469 VOIJUFUJFMNNNM-KBKYJPHKSA-N 533.766 3.480 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)cc1 408682821 HAXFRCOTTNHZIG-ZKXGSZBFSA-N 517.365 3.461 50 40 KGGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(Br)cc1OCC(=O)O 408784060 QXQPLBRQMOKAGU-BOPFTXTBSA-N 500.349 3.177 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)c1 408839528 AHWSSRFLKNFJCK-RDRPBHBLSA-N 597.650 3.103 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c(=O)c1C#N 409063285 JXZFFNVWBHHIHP-BCHBDCPOSA-N 555.389 3.403 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Br)cc2)c(OC)c1 409157291 IEYRVMHKKAKDCF-BTIIEKFUSA-N 631.265 3.445 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409250660 MJOPDCGXVCJUHW-VVEOGCPPSA-N 532.475 3.481 50 40 KGGB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 409376843 DICPQYTXETXMFK-CLJLJLNGSA-N 613.579 3.446 50 40 KGGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)C[C@H]1SC(=O)NC1=O 6162532 OQOSFICKEXFOCB-OLGPUJBVSA-N 530.609 3.194 50 40 KGGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1cccc(O)c1 8819069 RQVOVAJJQRGQDO-YBEGLDIGSA-N 506.403 3.207 50 40 KGGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccc(Br)cc1 9460753 YKPVVCBOZNTHOA-FSJBWODESA-N 513.381 3.441 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 59646212 QOWFPVMZLPHLPX-UXHLAJHPSA-N 551.625 3.348 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 105651617 WZGKZXDEFJDYMN-JVWAILMASA-N 543.598 3.075 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408683545 IHIHEONQAKNHFA-FTBPSBKWSA-N 525.561 3.378 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)cc1 408691396 ZRPXAQBNNARHGZ-HPKFOSBRSA-N 607.093 3.099 50 40 KGGB CCOC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548957 QUJQCYIYVGGZIC-RFQRXBHESA-N 589.070 3.167 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)ccc1Br 408678659 BTGPJLSBCQZIFG-UXOAXIEHSA-N 595.082 3.161 50 40 KGGB C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)cc2C1=O 408687200 OLQCYZFCJUOGBS-HNNXBMFYSA-N 550.365 3.424 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 408830529 SDCCJFJGFBSFSC-OCSSWDANSA-N 573.071 3.003 50 40 KGGB COc1cc(C(=O)N/N=C/c2ccc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 8398897 VWDCYMVDDFMDBZ-CMNXJCJSSA-N 550.568 3.266 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408752887 DBPOVFHMQSLPGH-LPYMAVHISA-N 500.445 3.043 50 40 KGGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 408760509 ZVDJMDHCKYWDNC-QOOAHNBZSA-N 510.410 3.136 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c(OC)c1 408923703 KKCPPLWVUXVIBR-QWMPUUBNSA-N 605.442 3.195 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCC(N)=O)c(Br)c2)c2ccccc2)cc1 409001788 KLEXHFAQYBRPHE-SQEMJAKJSA-N 573.469 3.182 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccc(OC)cc2)cc1 408611987 TTWWCEUSOCPCGV-STBIYBPSSA-N 532.553 3.375 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408683178 HOJSAEVKGQMRJR-OKMDKAJHSA-N 576.669 3.297 50 40 KGGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)cc1 408690624 WCWBNKUWADRRCV-NTQGCYDRSA-N 544.391 3.411 50 40 KGGB COc1cc(I)c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 408850632 PWCFSXDGXVQNFH-UXHMZNKVSA-N 577.828 3.265 50 40 KGGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 408862972 JSCMFNVSONKCDH-ZMOGYAJESA-N 540.436 3.086 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc(Br)c1OC 408874087 YJMVRKGQTLRAJN-UFFVCSGVSA-N 549.241 3.145 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCC(C)C)cc2)c2ccccc2)cc1OC 409118131 SNYYUAOFPCQHHW-FDAWAROLSA-N 582.679 3.200 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(OC)c1O 1529544224 AXKTXAVGFGIPMG-RLKVMJCBSA-N 577.457 3.048 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59459682 MLXUDEGOXZBCNK-CVKSISIWSA-N 501.536 3.197 50 40 KGGB Cc1c(C(=O)C/C(=N/NC(=O)c2ccccc2)C(=O)Nc2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-] 102921036 NBAIAFKNZRMVIZ-BRPDVVIDSA-N 517.929 3.066 50 40 KGGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)c1ccccc1 162398455 IRADNYFKMWQVDG-OZDCLNRTSA-N 689.816 3.157 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 408827434 JJYAADBUBQLHJE-LQKURTRISA-N 584.607 3.153 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408841516 KYGOFXZPOFNIBJ-MUFRIFMGSA-N 597.650 3.161 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(I)c2)c(OC)c1 408955482 OTERPTXWINPCLW-SAHICILTSA-N 687.285 3.488 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409136416 SYUGTUHUOBSORN-AFUMVMLFSA-N 533.628 3.437 50 40 KGGB CCOC(=O)C1=C(CSc2nc(C)cc(N3CCOCC3)n2)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC 100986200 VEEKOZZOCUYXQX-QFIPXVFZSA-N 553.641 3.056 50 40 KGGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)NCc2ccccc2)cc1 408610295 NHOKEQWPYFLPPX-UXHLAJHPSA-N 518.570 3.268 50 40 KGGB O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1 408671497 YVDLZCIRSDVMOX-UYTMDOHCSA-N 534.399 3.431 50 40 KGGB Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)COc3ccc(Br)cc3Br)C(=O)NC2=S)cc1 408759112 XYGAUOGZYURHMY-CCYVPWSASA-N 568.247 3.065 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3F)cc2)cc1 409158566 RLUMBFGRSUKFFQ-IPPBACCNSA-N 557.376 3.381 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409166200 CYYPGVSMFNXIJK-KCSSXMTESA-N 562.623 3.237 50 40 KGGB COc1cc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 102978858 WJNRPKCPALBFCE-OAQYLSRUSA-N 533.541 3.152 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1Cl 408688234 QBONIVLCLZTSDU-CKIJPRSSSA-N 571.049 3.397 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 408688556 QUPZHJVQKGZLQD-USZNOCQGSA-N 571.049 3.397 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCC(=O)O 408818105 NBXRHKUJSFPWNH-PXNMLYILSA-N 536.322 3.385 50 40 KGGB COc1cccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1OCC(N)=O 408971562 IZPWKDMESOEVQV-BSEPOCJDSA-N 553.443 3.315 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)ccc3C)c2)cc1 409253658 GIGQZPOMXQNFQT-WKULSOCRSA-N 508.962 3.441 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 59246567 IKXDIHVHWAMYOB-MYKKPKGFSA-N 510.772 3.162 50 40 KGGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cccc2OC)cc1 408610794 UMIGNNRAMBWUCC-RWPZCVJISA-N 504.543 3.427 50 40 KGGB CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1O 409116578 MJMXQQCLALKZEF-JVWAILMASA-N 543.598 3.162 50 40 KGGB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 3306244 KRFICPNQVLRQSI-UHFFFAOYSA-N 505.756 3.274 50 40 KGGB O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1nn(Cc2ccccc2)c(=O)c2ccccc12 103025170 HEVTYGFUDJDZND-UHFFFAOYSA-N 556.582 3.278 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OC 408863447 MTAWGQPLWZWLQO-UXHMZNKVSA-N 530.828 3.423 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409253378 FVOMYEWFBCUHMD-KVSWJAHQSA-N 516.913 3.255 50 40 KGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)S(C)(=O)=O 20212611 XGDOENYYGXCLHQ-SSDVNMTOSA-N 501.834 3.393 50 40 KGGB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)c1 408682380 GENVJGYRWKNXOE-ZKXGSZBFSA-N 517.365 3.461 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)c(OC)c1 408925963 VNHHMYORIBMPOO-SHIRAINQSA-N 500.939 3.069 50 40 KGGB COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1OC 408980001 PHOXKWPYPDYWSG-MTDXEUNCSA-N 538.626 3.046 50 40 KGGB O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccc(-n2cccc2)cc1 409389192 ZSSNGNSANASLQC-QQXSKIMKSA-N 511.376 3.241 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OC(C)=O)c(OC)c1 1529548557 IZVDGLTVAVXRRR-JTCJDYCESA-N 666.494 3.110 50 40 KGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 19947783 YZAWZSQCSZOUMA-UHFFFAOYSA-N 513.373 3.117 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccccc1C(F)(F)F 408688584 RAISUOUPIHVDOK-DRWMCFHUSA-N 596.194 3.355 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Br)cc2)o1)C(=O)Nc1cccc(Cl)c1 408864918 ALRUZSIQHOIYPJ-ZRGSRPPYSA-N 546.765 3.039 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(Cl)c1 409160731 ZCOIDJIZYBYUNM-AMVVHIIESA-N 552.971 3.251 50 40 KGGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc([N+](=O)[O-])cc1 409381590 HGIUVZDNWPLNGS-PMACEKPBSA-N 590.328 3.198 50 40 KGGB O=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 3118436 LXQDBZIVMSEYBR-CUBQBAPOSA-N 512.587 3.415 50 40 KGGB CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1 98048545 RCWKVOIXEVFEHV-VWLOTQADSA-N 563.661 3.311 50 40 KGGB COC(=O)c1c(C)nc(=O)[nH]c1-c1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)c(OC)c1 100303955 AXYAMMZLKWWDCT-KTZMUZOWSA-N 598.204 3.188 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408863608 NXMMHHVWJKODNS-LGJNPRDNSA-N 623.438 3.434 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409153826 NJJQORIDOACBIL-XODNFHPESA-N 620.400 3.076 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1C 409256762 PTGHABGVOQIYNT-FCUAXUHVSA-N 503.397 3.448 50 40 KGGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(OCc2ccc(Br)cc2)cc1 17045610 IPCRULRXHGFUAG-WYMPLXKRSA-N 511.340 3.036 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc(OC)c1OC 20214009 WYMZXXVXQNSOFJ-WGOQTCKBSA-N 513.572 3.421 50 40 KGGB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 101228535 RZZDHBZNOFPSHM-RMWGHANBSA-N 541.236 3.276 50 40 KGGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 101958365 WPVIAKSVNNIBLP-RRPNLBNLSA-N 546.605 3.396 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409123365 FXBGZZFICMOXPY-UXHLAJHPSA-N 584.651 3.415 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1 409257347 QFLFNDSHRJUHHP-DKZNWEEVSA-N 509.788 3.485 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c(OC)c1 19951368 OXKSEHFCZOYKJR-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(I)c(O)c(OC)c2)c1C#N 100544528 QLNOJSMBVGJTQL-HCGXMYGOSA-N 589.184 3.019 50 40 KGGB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)CSc3nc4ccccc4[nH]3)C2=O)c1 101002771 OWDLULFPAFKQCR-CPNJWEJPSA-N 541.680 3.493 50 40 KGGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)NCc2ccco2)cc1 408609017 IZLXKTKVDUANPG-UVHMKAGCSA-N 527.375 3.389 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc2ccccc12 408685604 LTZWIRKJNGNOLW-ZYGGUILKSA-N 552.219 3.244 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408872360 LRMRVJOFVLQOMM-ALQBTCKLSA-N 663.709 3.214 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1O 408943684 IAPHVMFVDDVCKL-OAQYLSRUSA-N 547.431 3.040 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(I)c2)c(OC)c1 408948536 CTMZJRFHPAGKRX-OPLYUBKWSA-N 745.321 3.246 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccc(F)cc2)cc1OC 409124179 JQTHYFFPOUIAID-OKCVXOCRSA-N 586.642 3.092 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1I 409243861 VKWMVKZWXBDZPR-QPSGOUHRSA-N 640.241 3.097 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccc(O)c(O)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70697853 LBQUZEGPLOWJBH-PCCKBNDPSA-N 519.591 3.288 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)ccc1OCc1cccc(C)c1 97966711 YXFGGEDEVKAXAJ-OKCVXOCRSA-N 559.631 3.268 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccc(O)c(O)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100770603 LBQUZEGPLOWJBH-VHDMMPOYSA-N 519.591 3.288 50 40 KGGB CC(C)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@@]24OO3)C(=O)N[C@H](C(=O)O)C(C)C 102012938 JJGPCGCYAFOOBW-ILNRIBKVSA-N 596.718 3.274 50 40 KGGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 103895773 UTJBNJWWTZFSFQ-UXHLAJHPSA-N 585.082 3.308 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cccc(Cl)c1Cl 408689972 ZYTOWCKOEQFXDX-RCVOAOTCSA-N 583.060 3.253 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)o2)cc1 408814720 QAKBAJYKZIXOBN-HPNXWYHWSA-N 689.747 3.104 50 40 KGGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OC 408950878 SOIHQJVUFKCIEE-VWLOTQADSA-N 552.653 3.317 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2ccccc12)c1ccc(I)cc1 409028937 UUYSPKBZCCQRBE-LPYMAVHISA-N 507.353 3.361 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2 409152422 FHZCTLGKMGGWRT-VFLNYLIXSA-N 567.396 3.270 50 40 KGGB COc1cc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])cc(OC)c1OC 1089032 FOUQAQARDYNBRJ-AUEPDCJTSA-N 518.324 3.392 50 40 KGGB O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 12958070 TVJZIWZQEZQVJQ-GFCCVEGCSA-N 517.877 3.237 50 40 KGGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)c1 15014192 MLJGGOSBRQPWAP-RWPZCVJISA-N 504.543 3.427 50 40 KGGB COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)c1 138644802 DVDPNSYVEYAFAD-BQAIHONLSA-N 529.339 3.211 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 408748201 ZZIVBBFPFSRTKM-MFOYZWKCSA-N 520.323 3.465 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)S(C)(=O)=O)cc1 408838040 QVXGVVDJULWYLX-OGLMXYFKSA-N 554.625 3.028 50 40 KGGB COc1cc(C(=O)NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 408838906 JYVFHOUWEALYKW-UHFFFAOYSA-N 539.541 3.065 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)=O)c(Br)c1 408948557 PLTBEESGBUKRLH-QHCPKHFHSA-N 589.468 3.259 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(OC)c1 408958412 YQCULGXLVIDVDP-GKFWUUHHSA-N 594.625 3.314 50 40 KGGB C#CCOc1c(Br)cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC 409003819 VETRICHVHWFURT-KMWLTISVSA-N 554.401 3.181 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1 409173884 KYMJXNZWUXPWHT-NPLHSSQESA-N 551.825 3.174 50 40 KGGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br 409239968 ITGHZKNKIDRHOK-QPSGOUHRSA-N 501.790 3.304 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1 409384192 BWLFNXQBCIXOOO-YADHBBJMSA-N 605.383 3.307 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(I)c2)c(OC)c1 408947238 AXCUGQHRGDKSIY-SGKVZYEOSA-N 806.348 3.176 50 40 KGGB COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)c(=O)c1C#N 409066458 VPPLKZCZFGFJFE-PPDIBHTLSA-N 510.392 3.495 50 40 KGGB N#C/C(=C/c1cc(I)c(OCC(=O)O)c(I)c1)C(=O)NC1CCCC1 409191925 QMXBYEPQILDYBH-WZUFQYTHSA-N 566.133 3.325 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1 409248049 BPHJNJJHZMBNJJ-WKULSOCRSA-N 508.962 3.441 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3Br)c2=O)=C(C#N)[C@H]1c1ccccc1Br 2262128 WDAUHMDDMHMZJO-MAYQHFBPSA-N 540.240 3.386 50 40 KGGB O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 12533340 NWPIYOXJLDXJLO-GFCCVEGCSA-N 509.462 3.144 50 40 KGGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1C 102443453 JNCXLYFVVRRVTM-IPPBACCNSA-N 583.521 3.108 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408683946 JELZZZYLQHOCCZ-QRMRWVLYSA-N 537.572 3.234 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408687941 PRBPKVHYWOBPJR-MQYQWHSLSA-N 550.631 3.052 50 40 KGGB N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)c(F)c1 408965419 HGMIJKKXGAOSSQ-IFRROFPPSA-N 535.054 3.376 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1cccc(C)c1 409169530 QMMKVBMZQFSHQK-VVEOGCPPSA-N 644.422 3.121 50 40 KGGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)ccc1OC(=O)c1ccco1 3085765 LSSYEMFUXMVBFP-BRJLIKDPSA-N 500.305 3.150 50 40 KGGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)c1ccccc1 162398729 IRADNYFKMWQVDG-IJZSPTSQSA-N 689.816 3.157 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408786644 LNDQEQVJMSDBHQ-CVKSISIWSA-N 513.572 3.072 50 40 KGGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1I 408812106 NSIFKYITBVJYSR-YVLHZVERSA-N 520.323 3.465 50 40 KGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 409028275 KWYDOFGNKREBMK-LQKURTRISA-N 526.590 3.322 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(I)c1 1529547273 JZJVMXQRCFZCDN-NOLPZJBKSA-N 745.390 3.491 50 40 KGGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1I 408542759 NTRYXWZRWPDKII-NVNXTCNLSA-N 520.279 3.477 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1C 408678681 FXZOFRSKDIZVGS-MUEHPZDASA-N 621.120 3.326 50 40 KGGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)cc2)CC1 408828562 HVKUGBRDXFMAMV-MAIOBWFBSA-N 585.705 3.455 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Cl)c1OCCOCCOc1ccc(C)cc1 408969741 SUXKOQWQRTYCOO-JFLMPSFJSA-N 534.038 3.648 50 40 KGGB O=C(COc1ccc(I)cc1)N/N=C/c1ccc(I)cc1 9948952 ALVLAFXKKPEUBX-GIJQJNRQSA-N 506.081 3.425 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 19955912 UKXGFYGTOFXKCQ-WGOQTCKBSA-N 510.572 3.008 50 40 KGGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408537479 VRDWHVBLMSWWFS-RXJBCPCZSA-N 548.353 3.316 50 40 KGGB CCCOc1c(I)cc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)cc1OC 409003491 HLNYZDKJBMGDBQ-NSKAYECMSA-N 631.265 3.490 50 40 KGGB CN(c1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1)S(=O)(=O)c1ccccc1 20059316 KGXLMJVORMBKQJ-UHFFFAOYSA-N 513.373 3.360 50 40 KGGB COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1OC 100301667 ALUSIVDZFXQNDP-BGABXYSRSA-N 506.946 3.154 50 40 KGGB O=C(NNC(=S)NC(=O)c1cc(I)ccc1I)c1ccc(Cl)cc1 109540943 NXVZHGNKAJLMJL-UHFFFAOYSA-N 585.592 3.499 50 40 KGGB O=C(NNC(=S)NC(=O)c1cc(I)cc(I)c1Br)c1ccncc1 150481294 VIRMLUUXXXAFSP-UHFFFAOYSA-N 631.031 3.003 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1OC 408735539 RSTIUMWDXFZNSO-OPEKNORGSA-N 503.353 3.273 50 40 KGGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408884598 YLZPXEHXFWHUQM-OKCVXOCRSA-N 598.037 3.122 50 40 KGGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(I)c1OC 408925569 UWXJEKFKJSQKKY-QWMPUUBNSA-N 652.442 3.037 50 40 KGGB COc1cc(/C=N/NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)ccc1O 2689586 VCTDSFBNDGWMSI-XODNFHPESA-N 521.371 3.498 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3I)c2=O)=C(C#N)[C@@H]1c1ccccc1I 33354869 BEGARCXCCJLURJ-PMEBHBLGSA-N 634.240 3.070 50 40 KGGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 58872882 IBPHYOBNQUTQRL-KBKYJPHKSA-N 510.348 3.457 50 40 KGGB CCOC(=O)C1=NO[C@H](Cc2c(OC)c3c(c(OC)c2[C@H]2C(C#N)=C(N)OC4=C2C(=O)CC(C)(C)C4)OCO3)C1 100238266 GGTGZHKQWFXHLG-BFUOFWGJSA-N 553.568 3.134 50 40 KGGB COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408648780 ZPAVHEJLDZLHFS-UHFFFAOYSA-N 511.328 3.307 50 40 KGGB CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1Br 408923731 KZONRMOYAYGOPB-AIZXLIHESA-N 575.416 3.186 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C)cc(C)c3)NC(=O)[C@H]2C(=O)OC)cc1 409312812 NQQPOTJQVLKNPO-YADHBBJMSA-N 507.568 3.200 50 40 KGGB N#C/C(=C\c1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1 20170688 IGTVKJCDADFLFI-NCELDCMTSA-N 504.594 3.240 50 40 KGGB C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 103512859 VIHPZDVLBPKPRU-ONUGARHQSA-N 504.606 3.445 50 40 KGGB O=C(NNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 150452209 GLKBORKSPLDQBD-VGOFRKELSA-N 681.498 3.398 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408683552 IHIHEONQAKNHFA-SDUSCBPUSA-N 525.561 3.378 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c(C)cc1Br 408683941 NTQMLVQFROYYDJ-MUEHPZDASA-N 621.120 3.326 50 40 KGGB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1 408684382 JUSMFWASCNBIMY-QEQKNVQMSA-N 517.365 3.461 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OCC)c1 408943765 IEZQOWGNJNGDML-VWLOTQADSA-N 663.547 3.285 50 40 KGGB CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408957795 VZRNFRDZQPZPBP-NPELBABXSA-N 647.479 3.120 50 40 KGGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc(Br)c(O)c(Br)c1 409009003 BBBGWWYQWSLPKO-UFFVCSGVSA-N 528.157 3.426 50 40 KGGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)S(C)(=O)=O 409130511 HXVSYZLLMAKAOV-MTDXEUNCSA-N 551.625 3.470 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)ccc1C 409270702 HFIYDSGGLCTAMM-YEEYNWEUSA-N 503.397 3.448 50 40 KGGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)NCCc2ccc(O)c(O)c2)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 100779190 FSMRLDDRGQABHK-BNFDPFGKSA-N 604.697 3.184 50 40 KGGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408687069 UDBCEEOUEIPRGB-ZYEGKOGWSA-N 602.441 3.034 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc(C)c1Br 408691041 XVNCKAOZNAYWIA-MIDZPWGSSA-N 532.218 3.013 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 408940377 CEINKKZUFSZWDM-SANMLTNESA-N 580.667 3.470 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 409114971 GAJRYMRJMZODTC-VUTHCHCSSA-N 552.653 3.436 50 40 KGGB CC(C)c1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 105584672 MSXQSIDJFPIGCZ-SSGMYWTASA-N 554.694 3.024 50 40 KGGB O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Cl)c(Cl)c1 408654458 QNFJLJNOTJYBLJ-BOCQSXMYSA-N 510.997 3.416 50 40 KGGB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1 408655068 COZYOWBCVIULFI-UHFFFAOYSA-N 548.390 3.129 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc(C)c1Br 408683981 MSZOGVWURHQUKN-CBZODXIFSA-N 501.171 3.119 50 40 KGGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(I)c1OCC(=O)O 408913387 QJUSBOKLPGNUFC-LSFURLLWSA-N 532.718 3.336 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c1 2085357 FPWVRFMYFNQLIP-JVWAILMASA-N 509.584 3.201 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC 59853280 TXZUGZGHJNOEGD-JVWAILMASA-N 557.581 3.203 50 40 KGGB O=C(CNC(=O)c1ccccc1Br)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 100038266 OAFKDXJUJCZZOW-UHFFFAOYSA-N 559.012 3.177 50 40 KGGB Cc1cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 100121094 KXHQLGZKZKWJIJ-XIOXGIFKSA-N 623.732 3.447 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408685876 MCMMNXWDWABPFO-YRPNKDGESA-N 533.364 3.383 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)cc1 408691196 YUAOSZRAJAMBDO-BQAIHONLSA-N 545.375 3.239 50 40 KGGB CNc1c(I)cc(/C=N/NC(=O)c2cccnc2)cc1I 408743379 WEDWPZFEUGFKLP-FBCYGCLPSA-N 506.085 3.096 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(OC)cc3OC)S(C)(=O)=O)o2)cc1 408825766 GCAQPBJYPSSAGX-CVKSISIWSA-N 529.571 3.057 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1Cl 408862283 XXNVPSUTOIDHLB-JFLMPSFJSA-N 551.065 3.093 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2Cl)c(OC)c1 408957246 SZXFYHWQVOONNN-ORMFSKTFSA-N 500.939 3.069 50 40 KGGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1 408974436 ZDIIHLZQMYMVHF-MTYDYXEWSA-N 534.407 3.281 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 409160554 RGUOUQKPHBVUGJ-JLHUVHHFSA-N 581.851 3.264 50 40 KGGB O=C(O)CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1 409333100 CAQNRDLFRRVZKA-PKNRUHJYSA-N 621.453 3.185 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)Cc2ccccc2)cc1OC 100328220 UIYBGOKNPIWOLL-LQKURTRISA-N 557.625 3.071 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(Br)c1 103864402 NQCVFPIAFRMADT-MYKKPKGFSA-N 555.223 3.271 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408677443 AOXRLZICMLIAEG-YUEHCAIXSA-N 584.305 3.461 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409114451 JQNWLCZFHMPCJP-CVKSISIWSA-N 501.536 3.197 50 40 KGGB COc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409119969 RLROZNBOXQKGAL-JVWAILMASA-N 543.598 3.075 50 40 KGGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 409379951 CZEVOYLYGUXVME-FIRIVFDPSA-N 745.694 3.279 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)c(OCC)c1 1529548156 YGJVXTXUYVPZQY-HIWKEIFESA-N 540.642 3.369 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OCC)c1 1529549201 VDTMDEWZJUAQJC-STNFJLQYSA-N 710.547 3.127 50 40 KGGB CCOC(=O)C1=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(SC)cc1 13739591 VMZFRDYMBJQAHK-OABJIQBASA-N 521.689 3.344 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccccc1Br 103895897 OTRHNCGCRSCSLO-STBIYBPSSA-N 587.496 3.103 50 40 KGGB O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccccc1[N+](=O)[O-] 104580244 MQHLCFLZRHBEDB-REZTVBANSA-N 537.051 3.274 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 408611884 XJADJSYPNMMAFF-AMVVHIIESA-N 536.972 3.415 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)N1CCOCC1 409152778 GFIYEMDRZSZVJL-KBKYJPHKSA-N 588.242 3.091 50 40 KGGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1 101002252 ITVXDFODYPQNEI-YBEGLDIGSA-N 535.401 3.410 50 40 KGGB COc1ccc([C@@H]2C(C#N)=C(N)[C@@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 104606833 VASJXEDXRILEHW-FTJBHMTQSA-N 516.579 3.387 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCC(=O)O 408544334 VMQKJIFWHPVJKL-NSIKDUERSA-N 536.278 3.397 50 40 KGGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408683359 LHPLSYYODXAIOM-DBAFEQAGSA-N 521.589 3.464 50 40 KGGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)ccc(Br)c1Cl 408687881 PNIFJEXQBVLWHF-HDQZCXGKSA-N 552.636 3.358 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 408688555 QUPZHJVQKGZLQD-KKOKHZNYSA-N 571.049 3.397 50 40 KGGB CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(I)c1OCC(N)=O 408999456 CXASUFHVNAQUQZ-KIZAIXKYSA-N 664.522 3.422 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OCC)c(O)cc1Br 1529548588 JMLZRQNSPMYLRT-AIZXLIHESA-N 591.484 3.438 50 40 KGGB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)NNC(=O)COc3ccc4c(C)cc(=O)oc4c3)cc2)cc1 2634597 DTGGPHLIVSCMKK-UHFFFAOYSA-N 521.551 3.051 50 40 KGGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 28213528 YVXUUXBCJVMIQC-RWPZCVJISA-N 526.590 3.376 50 40 KGGB COC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100284646 GCDGBQIUUZATFZ-DICXZTSXSA-N 530.002 3.233 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 408858145 MTMJUJHKIADINX-VTNSRFBWSA-N 576.597 3.359 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 408940875 DBYDPKHYOLHHDO-JOCHJYFZSA-N 631.465 3.145 50 40 KGGB C#CCOc1cc(Br)c(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408958398 YMFDDPJNWATHNR-IXYNZTCPSA-N 629.464 3.198 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770123 XVDBYMBXQIUTPH-UYAOXDASSA-N 508.987 3.166 50 40 KGGB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NNC(=O)CSc1nc2ccccc2o1 8819271 UUTHDBZJOCIFLS-BOPFTXTBSA-N 516.601 3.498 50 40 KGGB O=C(N/N=C/c1cccnc1)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C/c3cccnc3)cc2)cc1 97984928 ZMJNMKFBSMIDNC-IUUANVQCSA-N 566.574 3.161 50 40 KGGB CC(C)(C)[C@H](I)Cn1nns/c1=N\c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100369771 MXNBTEDKNSOMRP-ZYUPPKHXSA-N 523.269 3.146 50 40 KGGB CSCC[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101229479 IBJXLVDWIALGNG-PIDULCJJSA-N 573.303 3.312 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc2ccccc12 408684049 JHVWIEOFDHYTEH-SAIKNWJPSA-N 578.257 3.490 50 40 KGGB CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688921 RIAHASVJQPFTQO-PHSLVXOISA-N 565.626 3.298 50 40 KGGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1 409003033 QRVMYJWHHYVPMB-KYEFCJKTSA-N 608.389 3.052 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cccc(Cl)c1C 409268005 XSCFZHLLCCGZEJ-XODNFHPESA-N 512.950 3.424 50 40 KGGB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 12576697 ZJYSLLXKDNFOOE-UHFFFAOYSA-N 502.321 3.251 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1 59472857 WGLZHKMGSCJIRE-CVKSISIWSA-N 515.975 3.237 50 40 KGGB CC(=O)OC[C@@H]1O[C@@H](N2C(S)=C(C#N)[C@H](c3ccco3)C(C(C)=O)=C2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 82195526 AAFMDQBCBDIIJN-PWQUUIGVSA-N 652.678 3.427 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1OC 408803880 BFDOMFRCGVWSFD-FDAWAROLSA-N 640.740 3.425 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409158768 YWXUVSAWCWNEBP-QAYGKXGKSA-N 580.423 3.299 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1 409165539 ZGAYJTSQBPKKPX-BTIIEKFUSA-N 586.814 3.336 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C 409170582 VOUBNQMTDQAIMC-KIBLKLHPSA-N 537.798 3.166 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C 409270404 FLMGYSMHFQRCOG-OCSSWDANSA-N 502.571 3.486 50 40 KGGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(I)cc(I)c1O 100970462 ZKQAEOCKHATMOM-QPSGOUHRSA-N 583.551 3.135 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1OC 101005744 RPCDNZPHBYODKM-ZHZULCJRSA-N 535.669 3.003 50 40 KGGB COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)c1 408679361 DVDPNSYVEYAFAD-ZKXGSZBFSA-N 529.339 3.211 50 40 KGGB COC(=O)COc1cc(Br)c(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408747559 POUOZHGCFOCUGP-LSFURLLWSA-N 577.169 3.387 50 40 KGGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 408924736 QJYCQRWNHKYCNP-VVKUOSDESA-N 575.416 3.186 50 40 KGGB Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408966549 NDOSDYAGQIZLQR-MSXFZWOLSA-N 505.394 3.033 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)cc2)cc1 409129228 JCFFAPWBQKACDL-IAEWTUJKSA-N 564.664 3.258 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1OC 409167235 HMTGIAPDSAHZRV-OKCVXOCRSA-N 538.988 3.184 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409260629 SYWGOPWINDRCTM-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc(I)c1O 3050764 KJLKNGURCLCRBB-LSFURLLWSA-N 546.159 3.038 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770086 RZWBEOULEGRCOP-IFMALSPDSA-N 518.595 3.461 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408689831 SSANTCCEHYRZCR-CAOCKLPOSA-N 525.561 3.378 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cccc(C(F)(F)F)c1 408690250 UNVNBSSGQJFXSK-PWTXATHPSA-N 596.194 3.355 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)O)c(OCC)c1 408950276 RWKFPQFBZPMEBO-DEOSSOPVSA-N 605.069 3.087 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 409170259 UAYSRCGRRRIOIU-AMVVHIIESA-N 634.402 3.232 50 40 KGGB CCOc1ccccc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 59443727 VMBQAQZTFIDJKO-TURZUDJPSA-N 522.627 3.427 50 40 KGGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)CSc3nc4ccccc4[nH]3)C2=O)cc1 101006065 SVTSICWOJAZIHQ-UYRXBGFRSA-N 569.690 3.271 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 100284926 WTAGUXSWCAWYFZ-JFLMPSFJSA-N 602.578 3.111 50 40 KGGB CCCCN1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2\C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 101165430 GNZIINRVXNYNIZ-VBZQPFBYSA-N 530.629 3.328 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccc(Cl)cc1 408685288 LFIMHHOAQAEGTB-SEXKYXSUSA-N 552.798 3.072 50 40 KGGB C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)cc2C1=O 408685897 MEYHHGSCHOMJPX-OAHLLOKOSA-N 505.914 3.315 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Br)cc2)c(OC)c1 408943665 HZDDANKXYNCCSP-SHIRAINQSA-N 545.390 3.178 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)O)c(Cl)c1 408952038 VANLMXHAMJTQTB-JOCHJYFZSA-N 595.461 3.342 50 40 KGGB COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc([N+](=O)[O-])c1O 408979566 MVLPTALVZBZKFR-RASHHNMQSA-N 512.544 3.177 50 40 KGGB Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccco1 409268065 ZAAKCRXLHDKUBO-KKMKTNMSSA-N 527.375 3.443 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1 408662592 KHWGJIZZFSMHCW-UHFFFAOYSA-N 510.772 3.388 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OCC(=O)OC)c1)S(=O)(=O)c1ccc(C)cc1 408830962 OZQLDDMBQMVHQO-OGLMXYFKSA-N 523.611 3.455 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(I)cc1 408945540 KYOIURQENONRNX-NRFANRHFSA-N 578.432 3.176 50 40 KGGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(O)c(OCC)c2)cc1 409269148 FZYCVASZBDXNRB-WSDLNYQXSA-N 511.316 3.273 50 40 KGGB Cc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(I)c2)cn1 30721932 CMGIHXLNSNXWFA-FXBPXSCXSA-N 507.069 3.069 50 40 KGGB CCCCN1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2/C(=O)N(CCCC)c3ccc(C)cc32)c2cc(C)ccc21 100917865 GNZIINRVXNYNIZ-YUGUBMJKSA-N 530.629 3.328 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1ccccc1 408611206 QEWMIBGRNFQREP-JFLMPSFJSA-N 509.360 3.233 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408688543 QSKOLKQJKRYMCS-WYUUTHIRSA-N 571.049 3.397 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(I)c1OCC(N)=O 408800968 QNLUQXVVHDSBKD-OXKJMQHMSA-N 511.360 3.156 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1 408863902 RQNRTMITCHMYIU-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Br)s2)c(OC)c1 408958245 XZNXIQFVGXJYMT-LIOPFRDXSA-N 551.419 3.239 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2O)c(OC)c1 408958387 YKDAGKZDKCPNOL-DEGMRFCCSA-N 687.285 3.488 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409112189 BSVMNLYDKMZWSQ-OGLMXYFKSA-N 541.626 3.452 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c(C)c1 409265934 WYUHNZYFTRJZDX-CCVNUDIWSA-N 502.999 3.356 50 40 KGGB Cc1ncc(CO)c(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1O 13129164 IOXZIODHWHXNKJ-LUOAPIJWSA-N 508.478 3.171 50 40 KGGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I 408777338 YWXXZIDMEQZMIC-WCIBSUBMSA-N 507.122 3.037 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1cccc([N+](=O)[O-])c1 409023736 DSKDMHYWXMTEQZ-VULFUBBASA-N 559.988 3.182 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409110379 VNSBTCIESYERRL-WPWMEQJKSA-N 572.596 3.365 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409157979 WLWCGDJZMWZRFX-OKCVXOCRSA-N 502.571 3.404 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409163933 AARFTTHNYKIKJF-KVSWJAHQSA-N 604.401 3.294 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529547461 LDFIVJLAYZAIFC-UFIDKHRZSA-N 680.521 3.118 50 40 KGGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2cc(OC)c4c(c2)OCO4)C(C#N)=C(N)O3)cc1OC 2145887 RYTMXGPYUOCDSB-DEOSSOPVSA-N 517.538 3.372 50 40 KGGB biogenic O=C(CCC(=O)c1ccc2c(c1)OCCO2)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 2645145 MPRRYIUBEGBPLR-UHFFFAOYSA-N 543.985 3.336 50 40 KGGB CC(C)C[C@@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(N(CCCl)CCCl)cc1 5390542 KDPPJJVVEQTIIW-RBZQAINGSA-N 573.610 3.037 50 40 KGGB COc1cc(/C=N\C(C#N)=C(/N)C#N)ccc1OCc1c(Br)c(=O)n(-c2ccccc2)n1C 19850591 PJRJIWAESOZSJE-ULNYXYOBSA-N 507.348 3.162 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OC 408786302 OVKDOJBDFUFLHU-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 409259058 ZGFFDJNELVYWND-FDAWAROLSA-N 532.597 3.093 50 40 KGGB CC(C)Oc1c(I)cc(I)cc1/C=C(\C#N)c1nn(CCO)c(N)c1C#N 8424404 RDJYAJDOSASXAG-LFYBBSHMSA-N 589.175 3.390 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSC1=C(C#N)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 102295675 MWZCAZYRXGEXJC-XMMPIXPASA-N 537.667 3.441 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408681977 FSCQKFPEHAPVGY-YAMWFFNZSA-N 596.194 3.354 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 408862074 WVGUXUYMSWCKBM-LQKURTRISA-N 538.626 3.246 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OC 408863431 MTAWGQPLWZWLQO-FZJZADEZSA-N 530.828 3.423 50 40 KGGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cc4c(cc3Br)OCO4)CC2)cc1 408974376 YNDVPQULLRSSKR-FSJBWODESA-N 508.394 3.037 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1OC 409252989 VNUUANVTVWNNTR-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(Br)cc21 1278376 WLSBNWHJCUDYSA-WWXQKJCOSA-N 576.451 3.177 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1 28213075 PAPAODOYZYSLCN-VICVKWBVSA-N 522.627 3.168 50 40 KGGB CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101705460 ZRODEJMJIFWPBY-UYKVLPSVSA-N 586.233 3.123 50 40 KGGB O=C(NNS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 102972823 SSNSZPRLYOPZOX-UHFFFAOYSA-N 544.394 3.116 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 408924437 OEZNYQFLMSTZGY-ZLYQEWHFSA-N 563.523 3.193 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409254451 IOUBEFUVEHVPLP-IPPBACCNSA-N 508.497 3.104 50 40 KGGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 103101315 HIDBWBKGSSXCNU-UHFFFAOYSA-N 546.001 3.384 50 40 KGGB O=C(N/N=C/c1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(/C=N/NC(=O)c3cccc(Br)c3)c(O)c2)cc1O)c1cccc(Br)c1 150383713 NWLKFCZNIQABEA-WMFSDKRHSA-N 822.514 3.407 50 40 KGGB CC(C)OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408665343 LJUTXRGGBHNRFZ-UHFFFAOYSA-N 548.390 3.128 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c(C)cc1Br 408680428 GGANKECAGDQFAO-HTQXZECBSA-N 501.171 3.119 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 408862298 FBZSZZMQVOEEIJ-OGLMXYFKSA-N 538.626 3.328 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c(OC)c1 408923141 JNQPOVNKNPOKTG-SQAVDECTSA-N 581.807 3.147 50 40 KGGB CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1O 409122167 YENAXRCVCJIFSD-JVWAILMASA-N 524.599 3.091 50 40 KGGB C=CCn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nc2sc3c(c2c1=O)CCC3 3362126 MCNRVTNARIAGEU-UHFFFAOYSA-N 519.446 3.449 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1cccc(OC)c1 9233228 ALTAAWPTEUGZAJ-HJHSVFMCSA-N 518.570 3.439 50 40 KGGB COc1ccc(/C=N/NC(=O)CSc2nncn2C)cc1COc1ccc(C(=O)OCC(C)C)cc1 9458923 LSSFJBPHGIOFPB-RPPGKUMJSA-N 511.604 3.458 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1 16268655 QSXHSSHJVXGLSW-WGARJPEWSA-N 516.023 3.477 50 40 KGGB CCCOc1ccc(/C=N\NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1OC 33344430 BOMQFVIRLWGQQZ-PVYGGJOHSA-N 513.554 3.342 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccccc1 58918551 ULPWXWHEBGSJAN-CVKSISIWSA-N 515.975 3.465 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 100034947 FUKGFLVNIJMXIR-UJBXUPAJSA-N 535.513 3.489 50 40 KGGB CN(C)/C=N/n1c(P(c2ccccc2)c2ccccc2)nnc1P(c1ccccc1)c1ccccc1 102944592 KAILSMTYTOPJHU-JJKYIXSRSA-N 507.518 3.148 50 40 KGGB COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1 102993742 PDLIGXIHIPFDAW-UHFFFAOYSA-N 583.626 3.329 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2ccc(Br)cc2)cc1 408771227 GEFFUPCJIZVXHD-UHFFFAOYSA-N 527.400 3.425 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OC(C)C 408948152 OWNASZNWBOYUGN-DEOSSOPVSA-N 510.616 3.359 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC#N)c(Br)c1 408950254 RUFHUGCTJLXWKO-QHCPKHFHSA-N 586.468 3.236 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409113038 GHMWNYPXORCQNA-JVWAILMASA-N 527.599 3.375 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409161035 SQYHKXYDOULTIH-WBFLIZMFSA-N 628.851 3.024 50 40 KGGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1 2266658 HDCSXBORZOUNCR-WNOXCTKPSA-N 528.407 3.119 50 40 KGGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)C[C@@H]1SC(=O)NC1=O 6162549 OQOSFICKEXFOCB-LVGSUZFTSA-N 530.609 3.194 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1)NCc1ccccc1 58881223 ADWFGCFWGCZINL-JFLMPSFJSA-N 509.360 3.233 50 40 KGGB NC(=O)NN=C1c2cc(S(=O)(=O)NC3CCCCC3)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)NC1CCCCC1)cc2[N+](=O)[O-] 158972017 LBCJTERWXKAHIN-UHFFFAOYSA-N 649.708 3.126 50 40 KGGB O=C(C[C@@H]1SC(=O)NC1=O)NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 245228769 FEMXHYOTOSALFU-ZERGRTORSA-N 579.125 3.105 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408855257 AZBJJFIVFZXLKJ-MWVBGNBESA-N 624.716 3.032 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OCC)c(O)cc1Br 408944723 JMLZRQNSPMYLRT-HSZRJFAPSA-N 591.484 3.438 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 409379642 YXGSVOTXTLVDEQ-RPBOFIJWSA-N 589.601 3.195 50 40 KGGB O=C(CN(C(=O)n1ccnc1)N(CC(=O)NCc1cccs1)c1nc2ccccc2o1)NCc1cccs1 100479754 VICBDKIZDPCSID-UHFFFAOYSA-N 549.638 3.472 50 40 KGGB O=C(N/N=C/c1ccccn1)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C/c3ccccn3)cc2)cc1 102978270 PFJFRIKSJKZKOK-RPCRVLONSA-N 566.574 3.161 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2ccc(OCCC(=O)O)cc2)c2ccccc2)cc1 409335537 JUWZLCRFXSQQAF-BYEYKRMRSA-N 509.584 3.409 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409379310 WRCAOROVYZSKES-FCHUYYIVSA-N 583.391 3.363 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC#N)c(I)c1 1529546727 GXYAFIXLOHWXDB-MLVHTHFLSA-N 633.468 3.079 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(Br)c2)c1C#N 823051 QAWRSNLPHNJDNE-LIMNOBDPSA-N 526.185 3.471 50 40 KGGB O=C(N[C@@H](C(=O)N/N=C/c1cc(Br)ccc1O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 1867950 YLEPEEWLGRTUOT-QMPKWXHSSA-N 520.343 3.013 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770032 RUNMXJBOVPYRGX-UNMCSNQZSA-N 518.595 3.461 50 40 KGGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1 97965529 PHYGUHWVQHHABK-DITNJDIQSA-N 710.798 3.168 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408688073 PVLMHAFIVMQPJC-NRHSGRHJSA-N 576.669 3.298 50 40 KGGB C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)cc2C1=O 408690864 WYIFDVVIZWAALV-HNNXBMFYSA-N 505.914 3.315 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c1 408772890 SEUCAPQFRBCRKG-MFKUBSTISA-N 512.544 3.266 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(I)cc1 409024750 NSFDYHJJCWDPNK-WSDLNYQXSA-N 568.349 3.376 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409161034 SQYHKXYDOULTIH-MFYUCYCASA-N 628.851 3.024 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770051 PDNWJYYXMLXUQI-RBBKRZOGSA-N 534.594 3.161 50 40 KGGB Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)CCCC(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C 97940312 WGTJGNLKMOXINX-UHFFFAOYSA-N 607.495 3.213 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1C 100145521 HFBOHGXTYUERTO-HNSNBQBZSA-N 601.685 3.493 50 40 KGGB O=C(Nc1nnc(CCSCCc2nnc(NC(=O)C(Cl)Cl)s2)s1)C(Cl)Cl 105622324 LNTWOQPTXMTHTD-UHFFFAOYSA-N 510.281 3.392 50 40 KGGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)cc1 408685519 LJYJBUYMFDXVOQ-OMIWWWDHSA-N 544.391 3.411 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408776361 NWNKTXNMUCGPSS-WPWMEQJKSA-N 510.572 3.095 50 40 KGGB C=CCOc1cccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 408939006 ATOGCHLUNUKBML-DEOSSOPVSA-N 508.600 3.136 50 40 KGGB C=CCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 408940401 CGZMQIAFRJPWHC-DEOSSOPVSA-N 508.600 3.136 50 40 KGGB Cc1cc2c(cc1/C=N/NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1)OCO2 409002528 OHESDSOFEXVLFW-WMPMWDHYSA-N 591.427 3.368 50 40 KGGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409027512 DVOSLUIARXPAQV-RJGITAPLSA-N 580.663 3.021 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cn(C)c2ccccc12 1529547851 PWWDEOBHPLJLDX-LIYRDEPISA-N 505.600 3.063 50 40 KGGB COc1cc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OS(=O)(=O)c1cc(C)ccc1C 2632447 QSCVOOFBXRPCOT-RPPGKUMJSA-N 510.494 3.445 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1 9057006 VGISJEDHLNJUJX-CVKSISIWSA-N 515.975 3.481 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc2)cc1Cl 19951747 STYNBDMANQOGRC-DHRITJCHSA-N 501.948 3.423 50 40 KGGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408826724 KPUSAPODYNJBBK-RDRPBHBLSA-N 552.653 3.449 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC(C)C)cc2)c(OC)c1 408951999 JMNHXPUATXICTO-CKWAUKHYSA-N 524.574 3.203 50 40 KGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408956157 PRXUCZDETNUXOM-OTGRTMQESA-N 585.013 3.089 50 40 KGGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(I)c(O)c(I)c1)OCc1ccccc1 408990097 MLIAKXJEAXWBPV-YLUJQFKGSA-N 659.222 3.312 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409161142 YSEXTEULPLBDBM-XODNFHPESA-N 675.318 3.461 50 40 KGGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1Br 409248281 PCCZSKKHFQVPKW-QPSGOUHRSA-N 546.241 3.413 50 40 KGGB COc1cc(C(=O)Nc2ccc(Br)cc2[C@H](NCC(=O)NN)c2ccccc2)cc(OC)c1OC 3972357 KORPOMJKQDZNDF-HSZRJFAPSA-N 543.418 3.396 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c1 28213085 DWTQELZTIXUQJP-JFLMPSFJSA-N 512.563 3.068 50 40 KGGB COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)c1 408530340 FCFHTMXJSHSTBR-PXGAOIJESA-N 533.928 3.216 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1 408808715 FSRHPPKPARRMQF-XICOUIIWSA-N 658.737 3.185 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC(=O)[C@H]2C(=O)OC)cc1 409312111 JLXDABLYGNTYQI-VXKWHMMOSA-N 507.568 3.200 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OCC)c1 1529548527 IEZQOWGNJNGDML-STNFJLQYSA-N 663.547 3.285 50 40 KGGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1cccc(I)c1 59857710 MCQKAPBVSISHHS-UDWIEESQSA-N 550.216 3.360 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c(OC)c1 59960359 OWFXQFXANJVOBA-GBYSFBBLSA-N 504.543 3.049 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1ccc(Br)c(Cl)c1 408681635 FQFYYVBJYZIEFG-YMKLRKBFSA-N 538.609 3.050 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)cc1Br 408683947 NTQMLVQFROYYDJ-QHQVIKIASA-N 621.120 3.326 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409131664 WIZHHIUMJGAKGY-WPWMEQJKSA-N 572.596 3.365 50 40 KGGB O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc2c(c1)OCCO2 100029495 XXJNQHRQYVNEIZ-UFWORHAWSA-N 550.090 3.137 50 40 KGGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1O 408954372 ZCCGJAWZMDYPDI-XMMPIXPASA-N 538.626 3.014 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCC)c(OC)c2)c(OC)c1 408955419 OPNVXATWRIFDBM-UDEUWVDHSA-N 666.469 3.427 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)cc1 409116602 KUJQREFAWKMWDL-OVVQPSECSA-N 537.598 3.329 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 1529549181 UMYWTNGMTBBILW-SJUCLPJRSA-N 510.616 3.360 50 40 KGGB O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=O)[C@@H]1COc2ccccc2O1 2663277 JYDVQIWOEAEMIJ-FZNBYNMYSA-N 513.959 3.141 50 40 KGGB Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](C(=O)NNC(=O)Nc4ccc(Cl)c(Cl)c4)C3)C2=O)cc1 13758600 PXOSXJCXAJZVME-FOIQADDNSA-N 518.401 3.499 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)c(C)c1 28213127 NMAPDMHHFOXDNR-JVWAILMASA-N 514.648 3.047 50 40 KGGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 28213517 GFOCNMVMYSCDCQ-JVWAILMASA-N 514.648 3.047 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(Cl)cc2)cc1 59884850 FYTYZKQGZIZSTG-FFWFIYGGSA-N 615.108 3.368 50 40 KGGB CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)cc1 216065842 MCWYJBYMEGAMPW-FSJBWODESA-N 526.327 3.404 50 40 KGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 408829353 PDDYYVBUDNLPFN-OGLMXYFKSA-N 522.627 3.320 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1)S(C)(=O)=O 408878738 AQMOYRRNFXEUNY-OGLMXYFKSA-N 538.626 3.191 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(Cl)cc2)c1 409382983 SLZVMIBYCKDEBQ-VXKWHMMOSA-N 538.940 3.254 50 40 KGGB O=C(CSc1nc2ccccc2s1)NNC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 8820247 ZZYAHIWZPOTTAB-RIYZIHGNSA-N 506.681 3.499 50 40 KGGB COc1c(I)cc(I)cc1/C=N/NC(=O)c1ccccn1 16194632 KHWPGGFRRBZNPX-QGMBQPNBSA-N 507.069 3.063 50 40 KGGB N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2CN(Cc3ccccc3)CC=C12 17180179 KCZAZZNAOXLEEO-RLWLMLJZSA-N 511.383 3.481 50 40 KGGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(I)cc1 59247105 JFAPDCIBOBUDIK-MYYYXRDXSA-N 519.383 3.381 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1 408825536 AVEVQPDKAJZGPM-AJBULDERSA-N 578.691 3.141 50 40 KGGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2OC)cc1 409151055 GBLWEUSZIGVPFK-XODNFHPESA-N 573.400 3.233 50 40 KGGB COc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1OCC(=O)N1CCCC1 12564273 RLJWWFRCTXSXQH-OQKWZONESA-N 514.586 3.178 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1OC 20061045 MZIDAOODCOHDIT-LSHDLFTRSA-N 504.348 3.064 50 40 KGGB O=C(NC[C@H]1CCC[C@@H](CNC(=O)NNC(=O)c2ccccc2Cl)C1)NNC(=O)c1ccccc1Cl 102986023 WHJKGDANXYWEDE-IYBDPMFKSA-N 535.432 3.388 50 40 KGGB CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 408610185 MPQUHTBLFUDGEF-KIBLKLHPSA-N 509.788 3.323 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1ccc(Br)cc1Cl 408690419 VHHYDUYWHLCZLU-DQOWRFHUSA-N 538.609 3.050 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC(C)C)c1 408946991 NGJLINUXBAOLRM-DEOSSOPVSA-N 510.616 3.359 50 40 KGGB COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C(\C#N)C(=O)NCc3ccccc3)CC2)cc1 9375650 MTAIHYCCXWLEHG-FCDQGJHFSA-N 520.593 3.253 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 164814856 JLOIZXOAUNGLAO-ZCTHSVRISA-N 639.687 3.349 50 40 KGGB C[C@H](C(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408656437 MIYYYRLDSAAQBA-VGYXHSEJSA-N 534.399 3.429 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409164981 QOBUOSXNPODEHT-XODNFHPESA-N 539.416 3.401 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409167514 IXFZBZOYCDUYHK-IBBHUPRXSA-N 546.580 3.215 50 40 KGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)N2CCCC2)c(OCC)c1 409170732 XKUPIVWXUDKLMT-JFLMPSFJSA-N 608.433 3.179 50 40 KGGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/C(Cl)=C/c1ccccc1 1477675 HKSLGFYVHGLVTJ-MECGSCCCSA-N 525.856 3.137 50 40 KGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 8451405 MKEUGGKCWMZPAJ-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC)cc1)S(=O)(=O)c1ccc(C)cc1 408859198 MWJBUZGDOWZWHC-OGLMXYFKSA-N 523.611 3.455 50 40 KGGB CCOC(=O)COc1cc(Br)c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408952735 WSPXNEMDQLIBGH-AREMUKBSSA-N 663.547 3.285 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 409382452 MXSPNPAMSBHJSC-YADHBBJMSA-N 538.940 3.254 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OC(C)=O)c(OC)c1 1529548433 GDWUPCIMZWZLDM-JTCJDYCESA-N 619.494 3.268 50 40 KGGB COc1ccc(OCC(=O)N/N=C/c2ccc(I)o2)c(I)c1 6924474 JHVQSBWQVJVEBZ-REZTVBANSA-N 526.068 3.027 50 40 KGGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 20061143 UYCLGNCROLOPCV-ZYCSGBOSSA-N 522.627 3.248 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59443911 LHVGHBJLGUYOGR-OVVQPSECSA-N 511.600 3.096 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1cccc(Cl)c1Cl 59881790 WDRSUFGQZJVLJD-KKMKTNMSSA-N 553.424 3.198 50 40 KGGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)cccc2OC)cc1 408610643 ORVFBSRKSGHOJK-HJHSVFMCSA-N 518.570 3.439 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccccc2)cc1 408838089 RJJFXAHSFLIIFE-OVVQPSECSA-N 537.598 3.085 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)o1 408949580 RHEJYHDKZXPRCO-QHCPKHFHSA-N 513.620 3.011 50 40 KGGB COc1nc(Oc2ccc(/C=N/NC(=O)CN3C[C@@H](c4ccccc4)CC3=O)cc2)nc(N2CCCCC2)n1 408973189 JSSGCAWHVQXIQG-QHFGQAMDSA-N 529.601 3.129 50 40 KGGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1)c1ccccc1 409125769 KIMLIYRJCBFTCG-VEMGOHLESA-N 508.600 3.103 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC[C@H]2C)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409310628 BPZWVNJTSZLWFN-CWVNLOTRSA-N 536.448 3.330 50 40 KGGB COc1cc(/C=N/C(C#N)=C(\N)C#N)ccc1OCc1c(Br)c(=O)n(-c2ccccc2)n1C 100385018 PJRJIWAESOZSJE-FITWZQOKSA-N 507.348 3.162 50 40 KGGB COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(Cl)cc1Cl 102992956 CIMUDSQQROLVSG-UHFFFAOYSA-N 576.418 3.125 50 40 KGGB COc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)cc1 105410387 UJOJQLQDXRBWFC-UHFFFAOYSA-N 543.399 3.126 50 40 KGGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1 408749748 SWHWSLTUIUQFAJ-ODCIPOBUSA-N 516.142 3.456 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(I)c1OCC(=O)O 408804219 DIFZTFOGOGMPSA-LICLKQGHSA-N 520.323 3.419 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c(OC)c1 408922814 HFWKUZHSGKSLLK-SAHICILTSA-N 551.383 3.428 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1O 1529549442 ZCCGJAWZMDYPDI-VLQKAMOESA-N 538.626 3.014 50 40 KGGB O=C(N/N=C/c1cc(Br)c(N2CCOCC2)o1)c1cccc(I)c1 59302137 HGHZRQZFEMUONV-VXLYETTFSA-N 504.122 3.247 50 40 KGGB COc1cc(/C=N\NC(=O)c2ccc(OC[C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)cc2)cc(OC)c1OC 100847726 GAZACAAROKZSTB-PNZDGZDRSA-N 566.630 3.177 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 408921651 BTXINXIJKWOLDT-RJRLBWOVSA-N 563.523 3.193 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(I)cc2)c(OC)c1 408956552 RENVYBKNERULOJ-ORMFSKTFSA-N 592.390 3.020 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)cc(C)c2)cc1OC 409269909 AYYVTIFCVHIIKC-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 409339826 ZDPQNGKWKFEEJO-ZZIIXHQDSA-N 527.002 3.431 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 409388741 VWTDDHLBLCADKK-UIOOFZCWSA-N 613.579 3.446 50 40 KGGB CCOC(=O)N1CC=C2[C@@H](C1)[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)C2(C#N)C#N 664194 HVARMSBQVRYMEU-RNWIMVQKSA-N 504.550 3.269 50 40 KGGB COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1OC 2296548 HRYIGXQJDRSYNB-NJNXFGOHSA-N 501.381 3.390 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770125 XVDBYMBXQIUTPH-QUCCMNQESA-N 508.987 3.166 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2ccc(C)cc2)cc1OC 19955538 IZTPOVDVPJYDGJ-JVWAILMASA-N 527.599 3.375 50 40 KGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c1 28213183 OPDAEUPSJLOVNS-RWPZCVJISA-N 526.590 3.376 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1)NCCc1ccccc1 28214698 QUMLJQWQBODKRF-AJBULDERSA-N 500.599 3.020 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 408978632 JLOYDSVUPCFUIA-JVWAILMASA-N 527.599 3.062 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027563 LLPKVSBTVPZKDF-JVWAILMASA-N 572.596 3.365 50 40 KGGB CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2cccc(OCCC(C)C)c2)cc1 12137302 QQWNPZNMARCUSF-UHFFFAOYSA-N 501.605 3.393 50 40 KGGB O=C(COc1ccc(Br)cc1NNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)NCc1ccco1 408608802 PSONJUMGOYKCOX-OAHLLOKOSA-N 545.365 3.373 50 40 KGGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 408783118 KELRESRZDGRMBA-MYKKPKGFSA-N 509.371 3.462 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408783745 QKZIIGGCIPULSW-BCHBDCPOSA-N 520.304 3.069 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 408883964 RXUWMTAFYDQSKK-JFLMPSFJSA-N 546.001 3.246 50 40 KGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(O)c(OCC)c1 408909988 VMFUPPJVSUOXIO-YXUUZYBBSA-N 525.343 3.203 50 40 KGGB C#CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408949503 FOUGRLBQCQOSTE-SDEFACTDSA-N 554.987 3.081 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCC#N)cc2Br)c(OC)c1 408956915 RSVQHLRPZLWFPO-STNFJLQYSA-N 630.452 3.089 50 40 KGGB N#CCOc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 408999965 DIDMJEHRZIIAIA-DCPWPOBWSA-N 525.363 3.062 50 40 KGGB CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 97940426 WLAIIIUBLZHEJY-UHFFFAOYSA-N 537.594 3.036 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 97964163 BKZNRUOCJFXOIN-XODNFHPESA-N 539.416 3.401 50 40 KGGB C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@@H]([C@H](OC(C)=O)[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]1Cl)[C@@]1(C)O[C@@H]1C[C@H]2OC(C)=O 102940376 ALCDJXWWURFGPE-FWVOCMSYSA-N 527.010 3.100 50 40 KGGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 408536606 SFFJYIGFCQBLQP-JBUPRDAJSA-N 517.464 3.305 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)c(OC)c1 408947146 ANKNXYMZRPMEFR-WWLVVLNESA-N 593.549 3.289 50 40 KGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)c1ccccc1 408980868 TYTYZNGAFBHXHB-UGVMZYNRSA-N 526.287 3.233 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)c1C#N 409007666 QCYPNNXLPIQISW-CPDSRJINSA-N 531.569 3.272 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2cccc(Cl)c2)cc1 409113834 OEBKYADSRCGILP-AFUMVMLFSA-N 503.964 3.408 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 409150235 AOPICTOZPTYTOY-NVBQYMCLSA-N 575.460 3.173 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 19955542 JAAPEEZZAGZDCY-JVWAILMASA-N 527.599 3.375 50 40 KGGB CSCC[C@H](NC(=O)COc1ccccc1)C(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C 102895650 GQMPYUVGCHMNQG-YJZSVRAESA-N 511.625 3.393 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1OC 103896264 OLLMXQPIXLPIBG-YSURURNPSA-N 538.342 3.401 50 40 KGGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)c1 408691355 ZLRQFZOJKQVXLJ-VSKUHVEHSA-N 562.362 3.369 50 40 KGGB COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)c(Br)c(Br)c1O 408972928 HXSLGXBFTJNMOU-QPSGOUHRSA-N 544.591 3.383 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409152023 ISFFGIQJUGHSSV-OBPDLJBASA-N 586.814 3.336 50 40 KGGB COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 6073818 SMJYYMFKZTWLFY-OVVQPSECSA-N 508.600 3.037 50 40 KGGB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1C 8449870 HZBUFJLPXPAAGQ-WNLGLVQYSA-N 541.236 3.197 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 59886226 HLCMDEZZCCNQLZ-JFLMPSFJSA-N 546.001 3.246 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1OC 59888998 DTCGIGKHXWJQOB-KIBLKLHPSA-N 537.900 3.429 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)cc1 408678634 BSRQRAJUXVVHII-QYRJXPSASA-N 517.365 3.461 50 40 KGGB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)c1 408689547 SEWOBZNLCJJJME-CDEZGAEXSA-N 547.391 3.469 50 40 KGGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 408924734 QJYCQRWNHKYCNP-AIZXLIHESA-N 575.416 3.186 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1 408944145 IMNHSMQOESISSL-HHHXNRCGSA-N 594.694 3.289 50 40 KGGB COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC#N 409000178 DYNRGSVCBROKSX-ZAVGGQCXSA-N 506.584 3.466 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c(=O)c1C#N 409003208 FMEFGZRRABNXAE-YNFMAFFXSA-N 580.439 3.414 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409026270 KPTDPFOEAOKLHH-JVWAILMASA-N 543.598 3.162 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c1 100144690 NBYDVUOOJAFJJU-OVVQPSECSA-N 537.598 3.085 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1C 408690813 WVIOGWYRDMJEGN-IKARSPCKSA-N 609.109 3.470 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1O 408752755 GPQIUFCMOJKLNW-KCDOPAPYSA-N 512.426 3.315 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(O)c(OCC)c1 408951472 UFQHBLSHMLRCQG-JOCHJYFZSA-N 638.484 3.281 50 40 KGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)cc1 409368754 KVVASDQZICONOL-UFWORHAWSA-N 549.106 3.324 50 40 KGGB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N/N=C1\C(=O)Nc2ccc(Br)cc21 1784319 FYESMEUADZSDLG-UHFFFAOYSA-N 508.357 3.360 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc(Br)c1OC 59437071 HPPWXJSGUVDNDK-UFFVCSGVSA-N 504.790 3.036 50 40 KGGB COc1ccc(C(=O)NNC(=O)COc2cccc(Br)c2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 102999421 NQHPVCMHIXXKLA-UHFFFAOYSA-N 582.860 3.430 50 40 KGGB Nc1ccc(S(=O)(=O)c2ccc(NCN[C@H](CSSC[C@H](NCNc3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)C(=O)O)C(=O)O)cc2)cc1 150471844 MIHAGYLZSGAJKK-RNPORBBMSA-N 760.942 3.423 50 40 KGGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)cccc2OC)cc1 408613121 ZJFVBRYYTIDKEB-GOSISDBHSA-N 534.569 3.226 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408765346 LERKCUOGIVNNFW-LPYMAVHISA-N 500.445 3.043 50 40 KGGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)c1 408785724 BGMAGLQAWKIVQR-FSJBWODESA-N 522.377 3.302 50 40 KGGB CCOC(=O)COc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 408945448 KSTLKRZMEIOIKF-XMMPIXPASA-N 678.518 3.184 50 40 KGGB C#CCOc1c(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(I)cc1OC 408957192 SSWXMXQUJHHUCV-ACHIOISYSA-N 676.464 3.041 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)Cc2ccccc2)cc1 408995526 AUJJRRZFUGDNCA-HOFFDHMBSA-N 578.691 3.010 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 409185955 TWNCIFSFCVDHOE-YJLDXCOUSA-N 552.653 3.176 50 40 KGGB O=C(N/N=C\c1ccc(Cl)cc1)C1=NO[C@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@@H]12 29763318 USHWITWEJNKPFU-MKAZGZFLSA-N 513.938 3.113 50 40 KGGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2c(C)cc(I)cc2C)c1O 36234117 FIBPXVFOHSEHSX-ZVBGSRNCSA-N 513.288 3.450 50 40 KGGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 100139777 RLYJBOQRCRCSKU-DLOXVRGRSA-N 592.718 3.053 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(I)c1OCC(=O)OC 408710590 NTDWDQCUYLEPGG-FOKLQQMPSA-N 542.326 3.023 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)NN=C1C(=O)Nc2ccccc21)S(=O)(=O)c1ccc(C)cc1 408822171 HPGAKNCWAJPVBU-UHFFFAOYSA-N 512.975 3.325 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(F)cc2)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408874588 CEJCZVSOYUAKNH-BCHBDCPOSA-N 520.304 3.069 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2ccc(F)cc2)cc1OC 409117087 WLQNUVVIOWWMNQ-UHFFFAOYSA-N 591.415 3.273 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 409143565 CQAIBENKHBQGCW-CVKSISIWSA-N 515.975 3.481 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)cc(I)c1O 1529544842 PROKOWAMVFLKMT-UGIBUQJYSA-N 720.327 3.486 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(OCC)c1 1529548526 IEZQOWGNJNGDML-MEIHFEFKSA-N 663.547 3.285 50 40 KGGB COc1ccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC(=O)N4CCOCC4)c(OC)c2)C(C#N)=C(N)O3)cc1 3013826 OVMRKAKIBZUINH-NRFANRHFSA-N 533.541 3.152 50 40 KGGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 103901478 RYAFDKUFWRURPH-WYMPLXKRSA-N 561.370 3.432 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Br)cc1 408691399 ZRPXAQBNNARHGZ-YULKNUEKSA-N 607.093 3.099 50 40 KGGB COc1c(I)cc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)cc1I 408723698 ALINFELHZQWTSI-CGOBSMCZSA-N 566.162 3.492 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)C(C)C)cc1 408760094 RMDXIHUBCYXESG-NHVVDLMHSA-N 574.637 3.124 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OCc1ccccc1 408971708 PMDHMMIGAREACI-VUTHCHCSSA-N 502.571 3.082 50 40 KGGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409324842 VIKQNWKXPDLCOH-YADHBBJMSA-N 521.595 3.454 50 40 KGGB Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)COc1cccc([N+](=O)[O-])c1 1433519 IBHBDPAWAZLOKD-KPSZGOFPSA-N 503.103 3.369 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1OC 13785342 BOMQFVIRLWGQQZ-BUSZIJHZSA-N 513.554 3.342 50 40 KGGB COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1OC 53332734 YAIGEHHDAALRQY-GSTMDXARSA-N 558.433 3.127 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1)NCCc1ccccc1 100057722 ZOJSEBFDIUGJST-LQKURTRISA-N 523.387 3.276 50 40 KGGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc(I)cc1 103864839 ANGQVRCSOGLPHG-MSXFZWOLSA-N 588.240 3.424 50 40 KGGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1 103900126 WFJLXKQXSFBCNI-UXHLAJHPSA-N 536.654 3.422 50 40 KGGB C[C@@H]1[C@@H](OC(=O)CCC(=O)NCCCC(=O)NCCc2ccc(O)c(O)c2)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 105382622 FSMRLDDRGQABHK-JUSQWYSWSA-N 604.697 3.184 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408680167 DKWKOLKBPUKNMX-RWVSCHPSSA-N 596.194 3.354 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408973542 UAWHKWRJJSWVGF-KZJCWCHPSA-N 513.591 3.006 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 408978759 JVKFGGPIULQZSM-MJHSOURCSA-N 523.611 3.497 50 40 KGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC(N)=O 409218530 JKIBUIXICGWGLU-VIZOYTHASA-N 505.312 3.326 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1 409257028 NMDJICPPJKZFSO-LQKURTRISA-N 504.543 3.373 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 2189783 IAMAPAHSVXTVBE-OALUTQOASA-N 545.371 3.467 50 40 KGGB COc1ccc(/C=N/NC(=O)COc2ccccc2C(=O)N/N=C/c2ccc(OC)cc2OC)c(OC)c1 13939845 FEABPRPEOFYIPT-QSXCDPBRSA-N 520.542 3.014 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 100304910 PFNKZYSAVCUFSB-WPWMEQJKSA-N 556.597 3.004 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)NC[C@H]1CCCO1 100432169 VYVRLDWWPNMDNT-VKZMAOFBSA-N 530.581 3.028 50 40 KGGB N#C/C(=C\c1cc(I)cc(I)c1O)C(=O)NCc1ccco1 408735387 RDWMKCBVAXPHFF-ONNFQVAWSA-N 520.064 3.418 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)c(C)c1 408877072 PJXYQTAQWMSPPF-NRXPLXKSSA-N 536.654 3.476 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3)o2)c(OC)c1 408926005 WQMGPGIPNHHCFP-CKWAUKHYSA-N 518.526 3.285 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc1 409254339 XADPPRUVZLGMHX-YEEYNWEUSA-N 503.397 3.448 50 40 KGGB CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548220 BCFMMEJHQHDRBY-RFQRXBHESA-N 633.521 3.276 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 20059181 UOUYNUOSDJPERP-MFKUBSTISA-N 512.544 3.266 50 40 KGGB COc1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c(Br)c(Br)c1O 100328373 IMVPVKNIWDVLDZ-BEZFBIGFSA-N 525.197 3.392 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c(OC)c1 408923047 IRYDOTXVOQPYAA-IXYNZTCPSA-N 576.562 3.072 50 40 KGGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2OC)cc1 409175127 QGXFHNCLGFAJNR-WKULSOCRSA-N 593.475 3.255 50 40 KGGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)N(c1ccccc1)S(C)(=O)=O 8384341 JEMWZVROKCNREZ-NLTKLDOMSA-N 512.563 3.148 50 40 KGGB O=C(N/N=C/c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1)C(=O)N/N=C/c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1 102142515 BSPWGJOMCQPKOY-KOZSXFMUSA-N 548.424 3.035 50 40 KGGB C#CCn1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 408939518 AXLYLJHUZQDVTN-SANMLTNESA-N 529.622 3.160 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 409174838 PHSYLTSHNQRGBP-WCMJOSRZSA-N 553.015 3.492 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409176195 YMVPYDJFXSFGEN-XAZZYMPDSA-N 546.580 3.133 50 40 KGGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)cc(I)c1O 409231371 CMSOFFJJXLSGPO-UWVJOHFNSA-N 524.071 3.433 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409317186 SIKBUWAUCBQEOH-FGZHOGPDSA-N 507.568 3.200 50 40 KGGB CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(OC)c2)cc1 20764741 SQKLMAYVKICINZ-SSDVNMTOSA-N 512.300 3.014 50 40 KGGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)N[C@H](C(=O)O)C(C)C 70707683 JJGPCGCYAFOOBW-QSZCNMJZSA-N 596.718 3.274 50 40 KGGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408879686 CNLLBWKWNFICIB-NVJOKUIPSA-N 546.367 3.247 50 40 KGGB C#CCn1c(C)c(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c2ccccc21 408947219 AWMYFTLIYKBVIF-ALLWDRLJSA-N 557.607 3.312 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409174796 OXJSLYYIYNYGJL-OLURXKKBSA-N 649.269 3.369 50 40 KGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1 409384719 DYRNAEWYLMIJQJ-WYMPLXKRSA-N 531.319 3.105 50 40 KGGB CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 3374693 FRQCXZJIUDMLMJ-IBGZPJMESA-N 549.074 3.174 50 40 KGGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 14360917 VPXMKNFYFMSLLV-UHFFFAOYSA-N 511.600 3.236 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl)NCc1ccco1 408608730 IKRRHDHUQUCHRL-KBKYJPHKSA-N 533.766 3.480 50 40 KGGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408862181 GATJFOHMMBJWIA-IMASQNRCSA-N 663.734 3.388 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OC(C)C)c(OC)c1 408950653 HGBYCFKGRHEDCZ-SDEFACTDSA-N 554.600 3.211 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2)cc1 20061221 CPBQNULFPJRQTO-PCLIKHOPSA-N 512.544 3.348 50 40 KGGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)cc1 101007184 OWUFAFSKKKEUCJ-ZHZULCJRSA-N 527.624 3.402 50 40 KGGB COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCC(=O)NCc1ccccc1 408611630 RHJHVFAHHDAKRR-IBBHUPRXSA-N 528.487 3.498 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408690549 VVADPJFIZOGZNR-YAMWFFNZSA-N 607.093 3.097 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1 408840528 GQQGZDWQBIAZOR-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408862733 ISSQPFQRMNQFKQ-BFEZVXCSSA-N 552.653 3.256 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(SC)cc2)cc1 409341855 AIBSKXPWIKFAQV-AZPGRJICSA-N 538.651 3.499 50 40 KGGB Cc1ccc(S(=O)(=O)CC(=O)NNC(=S)NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 2381066 XEXRBJKIHBWIBK-UHFFFAOYSA-N 541.438 3.375 50 40 KGGB COC(=O)C1=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(OC(C)C)c(OC)c1 2593164 YNVDDSHHONJLCM-ZBIZMYTFSA-N 591.686 3.102 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816845 FGKSTUCRWDZWNW-CVKSISIWSA-N 511.556 3.056 50 40 KGGB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 102656871 BDONKWODKKTWLD-JZAWBGDQSA-N 514.214 3.022 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 103864383 QYIPIIJMFPZMMI-KSEXSDGBSA-N 556.211 3.481 50 40 KGGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 408811399 VKXGKUFLINEMAX-QDTIIGTASA-N 546.367 3.329 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(I)c1OCC(=O)O 409002879 PZTIHHMPJRLEDL-IPWRAFNYSA-N 627.432 3.323 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c(=O)c1C#N 409003428 GAYOVTQILUPUJX-AAPHRLRXSA-N 610.465 3.422 50 40 KGGB CCCNC(=O)CSC1=C(C#N)[C@@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1 409321922 JWLYBBCNNVVABR-IAGOWNOFSA-N 500.404 3.389 50 40 KGGB COC(=O)C1=c2s/c(=C\c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(OC(C)C)c(OC)c1 2593166 YNVDDSHHONJLCM-GCCOTWRSSA-N 591.686 3.102 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1Cl 28213258 UFXUNNCJLKWZKF-CVKSISIWSA-N 514.991 3.274 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408785080 XLSACIHXSDOBEN-JVWAILMASA-N 525.583 3.144 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCC#N 408849368 ZPQUUBBDTCSBLR-YBNTXHARSA-N 555.838 3.317 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3)c2)cc1 409159211 QINPFSBVKAXBLK-RWPZCVJISA-N 539.386 3.242 50 40 KGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC(N)=O 409220318 WRYRIPWZEROYNP-WUXMJOGZSA-N 511.703 3.363 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)S(=O)(=O)c1ccc(C)cc1 59647484 XFNGXBFELOMDGD-UHFFFAOYSA-N 557.426 3.434 50 40 KGGB O=CO[C@H]1CC[C@H]2[C@H]1[C@@H]1[C@H](I)[C@@H]3[C@@H]4CC[C@H](OC=O)[C@H]4[C@H]4[C@H](I)[C@@H]2[C@H]1[C@@H]43 104288719 LCLDSJBXBBUOHJ-XYSGRRSGSA-N 582.216 3.481 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccccc1C(F)(F)F 408686102 MKWORBUBDUJYAA-LFSVMHDDSA-N 570.156 3.109 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(C)cc2C)cc1 408831670 WJPWFKIAGXRFNA-ZCTHSVRISA-N 578.691 3.195 50 40 KGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 408862833 MVJMLGORPLSZIQ-HUEHPZEESA-N 578.691 3.323 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccc(F)cc1 408863778 QTJDZWJEALBWAD-MZJWZYIUSA-N 532.981 3.413 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 408877399 RJTXNLNUVVTDMQ-HPNXWYHWSA-N 673.748 3.403 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(OC)c1 408926563 YOSVXXHDFASXPA-VLQKAMOESA-N 508.575 3.323 50 40 KGGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2OC)c1 409156056 SVWWSLLPVKRCKI-RWPZCVJISA-N 504.543 3.427 50 40 KGGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCc1ccco1 2415780 DPAJYKPSLQKGRE-JWGURIENSA-N 543.605 3.377 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 20060945 KPDZCRVDCLGJMJ-CVKSISIWSA-N 515.975 3.481 50 40 KGGB N#C/C(=C\c1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 20170832 INCHGAACTFZAOB-YYADALCUSA-N 518.621 3.283 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)cc1OC 408828893 NAOHUQNANPBFQW-MTDXEUNCSA-N 524.599 3.398 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408858750 PDLXSGKLCPVQPV-UVHMKAGCSA-N 603.451 3.490 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)cc1 408859654 OPOXWABILNCIGO-LQKURTRISA-N 538.626 3.246 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2)c1 408863468 OOBLIMGVAGVBRJ-MTDXEUNCSA-N 524.599 3.398 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(OC)c1 408921625 BCKCZDBLYBPNPO-IXYNZTCPSA-N 576.562 3.374 50 40 KGGB O=C(COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)NNC(=O)c1ccc(Br)cc1 408647964 VWXXPKDMUFONRA-GFCCVEGCSA-N 529.174 3.113 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408728468 MXOJVOPHNREPDE-OGLMXYFKSA-N 569.596 3.306 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1cccc(C)c1 409168843 OAGYGKOZOGRQEX-NLOAGFHQSA-N 580.423 3.381 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409252813 DYSVXQPZMLOOBJ-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB O=C1CSc2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)cc2N1 2649752 HHZQQLXAVLUMSL-UHFFFAOYSA-N 516.988 3.260 50 40 KGGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 102448613 RBSXXFCNFIJQEY-UVHMKAGCSA-N 586.481 3.281 50 40 KGGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1Cl 408678776 BYEXYSWYINGJHV-WITHRNOMSA-N 576.669 3.298 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 408873105 MXXASHHHWSKZEW-MTDXEUNCSA-N 567.624 3.094 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)Cc2ccccc2)cc1 408877527 WSCBNQQYUZMKJE-HNSNBQBZSA-N 617.684 3.193 50 40 KGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OCC)c1 408907423 NLLYJOWZLGOGHB-PYGAFPFSSA-N 536.379 3.119 50 40 KGGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(NC(=O)c2ccccc2)cc1 409026837 ZLDJABAUZDBSHQ-YZSQISJMSA-N 509.544 3.154 50 40 KGGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1 409376267 WNUZKHWJTAJYEY-PMACEKPBSA-N 545.331 3.290 50 40 KGGB O=C(N[C@H](C(=O)N/N=C/c1cc(Br)ccc1O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 1867948 YLEPEEWLGRTUOT-ZUICHYAESA-N 520.343 3.013 50 40 KGGB O=C(CCCC(=O)NNC(=O)Nc1ccc(Br)cc1)NNC(=O)Nc1ccc(Br)cc1 104081958 LTCHOMVFABQQPU-UHFFFAOYSA-N 556.215 3.388 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)S(C)(=O)=O 408768166 CLPXFUHBXGNLPZ-CVKSISIWSA-N 515.975 3.484 50 40 KGGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Br)c1 408778591 HYNCFLGHLHAODY-KSEXSDGBSA-N 539.795 3.263 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3C)NC(=O)[C@H]2C(=O)OC)cc1 409317190 SIKBUWAUCBQEOH-YADHBBJMSA-N 507.568 3.200 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770122 XVDBYMBXQIUTPH-AZUAARDMSA-N 508.987 3.166 50 40 KGGB COc1cccc(NC(=O)CC(=O)N/N=C/c2ccc(N(CCC#N)CCC#N)c(I)c2)c1 8659410 XUGKIBZJPHRDDP-JVWAILMASA-N 558.380 3.412 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(=O)(=O)c1ccccc1 19952197 WYGTYWCRZDFMHB-AFUMVMLFSA-N 503.964 3.408 50 40 KGGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(-c3cc(-c4ccco4)n[nH]3)n2-c2ccccc2)cc1 98005931 NDNCVONIAWRCLS-UHFFFAOYSA-N 529.582 3.408 50 40 KGGB CCOC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)OCC)NC(=O)OCc1ccccc1 103559724 RKJMTMANTPUDES-GOTSBHOMSA-N 621.734 3.200 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 164561985 HKHLPUZPUBARBY-KSEXSDGBSA-N 650.211 3.165 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc(Cl)cc1)NCc1ccco1 408606771 AXBQAKMTCSWLFW-KVSWJAHQSA-N 547.793 3.157 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)c1 408880481 JGLNUHVYKPBMTR-CVKSISIWSA-N 542.570 3.107 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408883044 QECDQOYDSGDYJX-ICLYNSGKSA-N 578.691 3.323 50 40 KGGB COc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 408992193 SILNBJHDFHEYME-PBWVZGNXSA-N 500.353 3.169 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2ccccc2)cc1OC 409112297 CDHOERPVTYSGOB-UHFFFAOYSA-N 573.425 3.134 50 40 KGGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 100029989 GMFBRDKLZFHNOO-LVSXPEEVSA-N 531.441 3.095 50 40 KGGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccc(Br)cc21 100057719 YIUWAGJAWCPFEH-UHFFFAOYSA-N 558.370 3.025 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(C)C)c(Br)c1 408945832 LRNZGMNALAFKRA-HSZRJFAPSA-N 574.501 3.400 50 40 KGGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548739 MZIPVDUISXYNEB-PBSMGWKUSA-N 585.480 3.346 50 40 KGGB CCOC(=O)C1=c2s/c(=C\c3cccc(Br)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(Br)c1 1739392 XXJZOSXNPJNWJT-XLYVWGIVSA-N 587.293 3.426 50 40 KGGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1ccccc1O 12032305 ZRUXEZMGWMIMIU-WJDWOHSUSA-N 506.403 3.207 50 40 KGGB CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(Cn3ccc([N+](=O)[O-])n3)c2)nnc1-c1cc(C(F)(F)F)nn1C 102000220 IACVSJUELOOSMR-LUOAPIJWSA-N 592.564 3.121 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1)Nc1cccc([N+](=O)[O-])c1 408687865 PMUATVOGSWVYJA-VJQWSGFBSA-N 532.336 3.360 50 40 KGGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OCC(=O)O 408748545 DUUFIEFTENZITO-DNTJNYDQSA-N 533.116 3.290 50 40 KGGB CC(C)(C)C1CCC(=NNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)CC1 408883631 RSOGZTRGHNJDJQ-UIDYPRJRSA-N 560.742 3.459 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccccc1C 409163754 XKEYKATYMLCJKW-CCVNUDIWSA-N 610.449 3.007 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 409165830 ALVCCXUZHSLGJS-KVSWJAHQSA-N 557.401 3.452 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770025 GFORCXQTDKRNDR-IFMALSPDSA-N 518.595 3.461 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)c1 20211103 IYKSFIXJBQNVTP-JVWAILMASA-N 527.599 3.208 50 40 KGGB C#CCn1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c2ccccc21 408924520 OYDUFOVACPWPCJ-RMTFRRHQSA-N 543.580 3.003 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC#N)c(OC)c1 408952607 WHZXLSCBPOEQQC-HSZRJFAPSA-N 663.494 3.087 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1OCC(=O)Nc1ccccc1 409002215 MJCILVSLQKJFLZ-RXKJZGMASA-N 570.606 3.424 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 409115079 JWBRNLYQWCTFPV-WUQZZNSYSA-N 676.533 3.311 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1 409173505 IYVVGIIEORBMJO-RWPZCVJISA-N 539.386 3.242 50 40 KGGB COc1ccc2ccccc2c1/C=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 6183847 XWXGNURFXHJUSU-WGOQTCKBSA-N 545.459 3.068 50 40 KGGB CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 102994573 RNWIRRYETMZZGH-UHFFFAOYSA-N 586.092 3.162 50 40 KGGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Cl)cc1 103864043 SVLGIZFVHZLOFY-WYMPLXKRSA-N 543.789 3.315 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)OCCO1 112256058 WVJMRPHAIVCTJA-NSJRZLKASA-N 566.570 3.401 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408689838 SSANTCCEHYRZCR-ICDZXHCJSA-N 525.561 3.378 50 40 KGGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 408721553 STDSNNHUYSPHDQ-LIMNOBDPSA-N 549.183 3.352 50 40 KGGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1OCC(=O)O 408750809 RXYIQYONRMNAJM-VULFUBBASA-N 560.344 3.149 50 40 KGGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 408807904 LMSRLZYYTHVXHY-QDTIIGTASA-N 546.367 3.329 50 40 KGGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc([N+](=O)[O-])c1OC(=O)N1CCOCC1 59677172 WDGMRCXCIQOZTK-FQEVSTJZSA-N 534.481 3.149 50 40 KGGB C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1ccc(Br)cc1 100067796 ICZFXZOHTRBNCB-FSQPJJNESA-N 593.276 3.109 50 40 KGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 408873028 QYFSEEOSXTXRIS-UXHLAJHPSA-N 585.082 3.232 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C)c(Br)c2)c(OC)c1 408926688 ZESXFGZOYMGIOE-AIZXLIHESA-N 559.417 3.486 50 40 KGGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1 409002922 QEBLXYHJKSRYPD-ZKAWIHBPSA-N 531.363 3.201 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409152437 BBUXZJDCDLWKIS-VVEOGCPPSA-N 552.971 3.170 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1 58881953 MHPCCTAHFZDFOD-LQKURTRISA-N 502.527 3.278 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)ccc1Oc1nc(Cl)ncc1F 97960614 FIWSKRHUJPUTQU-VYVUJPJFSA-N 528.928 3.099 50 40 KGGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NCc3cccnc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 100141654 KFPJEMMNKQPPCG-CAQPMQTCSA-N 559.648 3.449 50 40 KGGB O=C(CCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 100557579 QWBHGFZENYETJL-DBRRIZINSA-N 547.627 3.234 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408683111 HKRZZIZFKSAHQP-MVXJNQHVSA-N 576.669 3.298 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OCC 408861443 AMYOKKQCHLWFTR-KVKZSELESA-N 614.746 3.088 50 40 KGGB N#CCOc1ccccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 408998734 NXKPIJHBGSLEAZ-UJUJBVAOSA-N 588.427 3.233 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409024200 BKFQVAITAODYJN-STBIYBPSSA-N 587.651 3.474 50 40 KGGB Cc1cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccco2)ccc1Br 409257970 VLVWBBHLTLATCN-RPPGKUMJSA-N 513.348 3.135 50 40 KGGB C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OCC 409317386 PKTGGODTLKVDOV-QRVIBDJDSA-N 508.312 3.483 50 40 KGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccccc1-n1cccc1 409384690 FHMLALKAUXMQJK-WGOQTCKBSA-N 511.376 3.241 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(I)c1 1529548151 YESCPSVBNJPBOW-NYSBMRNASA-N 778.363 3.244 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@H]1c1ccccc1OC 2312455 AAPYCGNFECCVTL-FGZHOGPDSA-N 546.001 3.475 50 40 KGGB CCCCN1C(=O)/C(=N\NC(=O)CCCC(=O)N/N=C2/C(=O)N(CCCC)c3ccccc32)c2ccccc21 13583915 UZOHAWHCHKSBFU-YUGUBMJKSA-N 530.629 3.491 50 40 KGGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1Cl 408686997 OEWYJUVDMJDVSW-GWABWREFSA-N 576.669 3.297 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409158366 SQAOEBNYLRVUFY-MWADOWFRSA-N 649.269 3.369 50 40 KGGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409374961 CEQZCKAVWXPQGX-FGZHOGPDSA-N 602.383 3.249 50 40 KGGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 3427523 UBTRHXDIDSEWIA-UHFFFAOYSA-N 519.929 3.373 50 40 KGGB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408673604 UFGPMLPYIKIIFO-BIVLZKPYSA-N 514.214 3.022 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(C)cc2)cc1 408862633 HDPHJDSFOVCFAG-FFWKWCQCSA-N 608.717 3.413 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 100224282 MXTLQJCMCNVFJF-MTDXEUNCSA-N 541.626 3.192 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408690264 UQMBFIYKNUGOKJ-IWDIQUIJSA-N 571.049 3.397 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(I)c1OCC(=O)O 408794211 IHSSXRZUQHMXOM-OVCLIPMQSA-N 550.305 3.486 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccccc1Br 408834415 ZHPZKDQLOMQTTO-LQKURTRISA-N 573.469 3.061 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1)NC[C@@H]1CCCO1 408841967 MQXHUMDYEPOMCZ-BMRPRGCTSA-N 569.706 3.442 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OC 408954802 NNOVBSBOWNKGJN-IRSOAJISSA-N 536.585 3.152 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc(Br)c1OC 409183204 AWPLMRDVDZJWSY-DHRITJCHSA-N 533.404 3.207 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770020 FRCPUOJNJZNRKL-FPOVZHCZSA-N 504.568 3.152 50 40 KGGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 9318416 FEZBZWNBUARTHQ-PGGKNCGUSA-N 501.290 3.089 50 40 KGGB O=C(NNC(=S)Nc1ccccc1)c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 32659549 CFUKOXZUJWWZPV-XMMPIXPASA-N 523.634 3.019 50 40 KGGB Cc1ccc(N2C(=O)/C(=C/NNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)c(C)c1 97980565 DYZPGWQYESMXLX-HZHRSRAPSA-N 553.040 3.426 50 40 KGGB COc1ccc(/C=N/NC(=O)C2=NO[C@H](c3c(Br)c4c(c(OC)c3OC)OCO4)[C@@H]2C)c(OC)c1 100237311 UVCBPJWGSCJZPC-LPFLYACMSA-N 550.362 3.426 50 40 KGGB O=C(COc1cccc(Br)c1)NNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 103013526 MBVHLFCETIJJSG-UHFFFAOYSA-N 530.828 3.117 50 40 KGGB C/C(=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 408774020 VGBFLVCVKFZILU-SDGJFRJFSA-N 605.536 3.053 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 408868880 PQQUASFEIFRHJW-RDRPBHBLSA-N 581.651 3.402 50 40 KGGB CCOC(=O)COc1c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 408953171 WXAJIOYIDWGZIS-VWLOTQADSA-N 663.547 3.285 50 40 KGGB CCOc1cccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)c1O 409368784 MIGYPSZMHHNYTA-YUMHPJSZSA-N 527.599 3.149 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1-c1cccc([N+](=O)[O-])c1 2247568 YMJOEJWSAHXJOT-MZJWZYIUSA-N 525.485 3.151 50 40 KGGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 102442793 FSQJIRTXSLUNJS-XAZZYMPDSA-N 598.580 3.413 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)c(OC)c1 408686638 NIQLJFHJXLCVNH-YKIFOBKMSA-N 547.391 3.469 50 40 KGGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3cc(Br)cc(Br)c3O)C(=O)NC2=S)cc1 408756925 USBRGWNBNIRPDW-WGHCDHDESA-N 554.220 3.005 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 408831528 QZERFCOBSGWTCM-TWKHWXDSSA-N 559.648 3.395 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408956283 QKSAZDDZKRHDBB-UZXICYFGSA-N 677.505 3.128 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC(=O)[C@@H]2C(=O)OC)cc1 409312109 JLXDABLYGNTYQI-FGZHOGPDSA-N 507.568 3.200 50 40 KGGB C#CCOc1c(Br)cc(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 1529548537 IMAGFZHZGUZWQS-RXKNBZTKSA-N 630.477 3.254 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)c1cc(C(F)(F)F)ccc1Cl 59641243 RBHAXCGKTGVNMZ-UHFFFAOYSA-N 553.744 3.360 50 40 KGGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cccc2OC)cc1 408604279 HYPSERZPEDUGHX-QGZVFWFLSA-N 522.533 3.357 50 40 KGGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1 8399962 XADGZUYJIXGDNQ-UHFFFAOYSA-N 540.661 3.473 50 40 KGGB Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(=O)NNC(=O)Nc4ccc(Cl)c(Cl)c4)C3)C2=O)cc1 34829341 PXOSXJCXAJZVME-MGPUTAFESA-N 518.401 3.499 50 40 KGGB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]1(CCI)[C@]5(CCI)[C@H]2[C@@H]43 104287626 XBITYSUNEFXMDL-JTAJFSELSA-N 587.199 3.039 50 40 KGGB COc1ccc(OC)c(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 408688917 XFHUNEAPRPTCQR-IGQFXSRTSA-N 515.360 3.466 50 40 KGGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=C1C(=O)Nc2ccc(Br)cc21 408772128 DEMMOYICELUUNQ-UHFFFAOYSA-N 531.363 3.256 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409024667 MRMRELDJQVSGLL-RDRPBHBLSA-N 552.609 3.350 50 40 KGGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409168206 LHGVQNRDXNMLRC-RPPGKUMJSA-N 501.381 3.144 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 409183757 DHFCUDGGLKDCDJ-MVAKIDQKSA-N 578.691 3.269 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c(OC)c1 409256893 QNLFEAOQFHUNKQ-NXUGVVLJSA-N 533.423 3.457 50 40 KGGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2cccc3ccccc23)ccc1OC(C)=O 409370091 KURBMJZRVYTXSE-LOYHVIPDSA-N 702.625 3.004 50 40 KGGB C=CCOc1c(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 1529549262 WWTRRHCZGYFRKG-GSOYBGKMSA-N 538.626 3.145 50 40 KGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(OC)c1OC(=O)N1CCOCC1 709630 XOOUFYSBCKIWNP-HXUWFJFHSA-N 503.515 3.143 50 40 KGGB C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cc(Br)ccc1OC 2745362 CLNMECZTHOJRPR-WYMPLXKRSA-N 541.435 3.271 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1cccc(C)c1 103865220 BWZGJQYYKKMVQU-QFEZKATASA-N 537.398 3.360 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cccc2ccccc12 408677675 DYCAMTBPEJTPIL-BBCKRIEKSA-N 564.230 3.099 50 40 KGGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409316750 QVTUNDFJBHXXFO-QZTJIDSGSA-N 512.415 3.485 50 40 KGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OCC)c1 9233210 KSFORCUKYPJWKI-UXHLAJHPSA-N 518.570 3.268 50 40 KGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c1 28213163 IFCYOBMSEUMZPO-RWPZCVJISA-N 526.590 3.376 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O 59888670 WBLRPXRBSKYNEW-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)CSc3nc4ccccc4o3)C2=O)cc1 101002620 RUHKACHHPVVIPH-WOJGMQOQSA-N 528.637 3.367 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 408858075 JCWJCXDXXWGORY-MFKUBSTISA-N 542.526 3.094 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1 408873833 XFFLQHAKSHQNOQ-MFKUBSTISA-N 512.544 3.266 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC#N)c(Br)c1 408950251 RUFHUGCTJLXWKO-HSZRJFAPSA-N 586.468 3.236 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)c(=O)c1C#N 409003996 NMDACCQSZXOIEJ-IURWMYGYSA-N 626.464 3.122 50 40 KGGB C=CCOc1cccc(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 1529545699 ATOGCHLUNUKBML-XPQMWKTPSA-N 508.600 3.136 50 40 KGGB CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)CO/N=C(\C)c1ccccc1 20573002 IDPUWUJOLNLZRG-LZNCRMCUSA-N 515.570 3.036 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408749463 PBEXEYHQHANZRC-OEAKJJBVSA-N 514.472 3.433 50 40 KGGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408758982 VXZFUSAHYWBAEK-JFLMPSFJSA-N 536.522 3.448 50 40 KGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 409026359 MTLWZFJASXEMNO-RDRPBHBLSA-N 536.654 3.498 50 40 KGGB Cc1ccc(OCC(=O)N/N=C\c2cc(Br)c(O)c(Br)c2O)c([N+](=O)[O-])c1 13896958 LGWOJFWVIZTTPW-SWNXQHNESA-N 503.103 3.369 50 40 KGGB CCOP12(N=C=O)C(=O)N(CCl)C(=O)N1P1(N=C=O)(OCC)C(=O)N(CCl)C(=O)N21 97983073 HSZXHVLTSDNZSX-UHFFFAOYSA-N 503.132 3.279 50 40 KGGB Cc1ccc(S(=O)(=O)NNC(=O)CCN2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 101002266 DBRMSYZXHHRMOK-ATVHPVEESA-N 540.486 3.359 50 40 KGGB COc1cc(Br)cc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c1O 101656049 CVFUNZCNYKDCCM-HFLRGAGPSA-N 550.369 3.021 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1 408825752 FMKHNEJFVOBUKK-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCC)c(OC)c1 408958427 YTSZGBSFGBZACC-MWQQKMCLSA-N 544.992 3.467 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccc(Br)cc1 409254112 HSWOGSLMAXLIJN-SQAVSUBZSA-N 519.396 3.230 50 40 KGGB O=C(NN=Cc1ccc(-c2ccc3c(c2)COC3=O)o1)C(=O)N/N=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 585163051 CCIPBXNEWBDPKX-SALNXEIKSA-N 538.472 3.148 50 40 KGGB COc1ccc(Br)c(C(=O)NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1 12520878 BGJUKEBVOIAJQI-UHFFFAOYSA-N 510.391 3.395 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(C)cc2)cc1OC 20215119 HNOOSAPMPOERKX-JVWAILMASA-N 525.583 3.129 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OCC(N)=O 408808538 MLRAHZGDQGQRIB-NTUHNPAUSA-N 509.275 3.239 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Br)s1 408940188 BYCZTMYGJZZOSA-LJQANCHMSA-N 537.461 3.396 50 40 KGGB C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409027508 DVOSLUIARXPAQV-QFCVIPEKSA-N 580.663 3.021 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409183419 CHBMZJAJBUKHAM-OVVQPSECSA-N 554.581 3.419 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409258602 UVMZALSXXNXZGY-HURLIOHXSA-N 519.396 3.148 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409303598 NPCRXIIJGSNBKJ-FCHUYYIVSA-N 507.568 3.200 50 40 KGGB O=C(Cn1c(-c2ccccc2)nc2ccccc2c1=O)N/N=C1/C(=O)Nc2ccc(Br)cc21 16493503 VGVUORHGWGNNMV-UHFFFAOYSA-N 502.328 3.299 50 40 KGGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 102995397 IFLINZSIEPRJQA-HXUWFJFHSA-N 522.366 3.395 50 40 KGGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 104679985 RLYJBOQRCRCSKU-GDKBXFSLSA-N 592.718 3.053 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c(C)cc1Br 408683232 HRXFPUIQDRFTOS-GBOPCIDUSA-N 609.109 3.470 50 40 KGGB C#CCOc1c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 408954815 ZRVAYEYONIYKHF-DEOSSOPVSA-N 662.506 3.197 50 40 KGGB O=C(O)COc1c(Br)cc(I)cc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 409373469 SZZJDUFXHCYBBN-ZBKNUEDVSA-N 562.114 3.118 50 40 KGGB CC[C@H](C)[C@@H](NC(=O)CCCNC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)C(=O)O 100623112 MKLSGYFZQOELAG-DHMVZLNQSA-N 582.691 3.030 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)c(C(F)(F)F)c1 408832356 WKSITNRKXFCELN-RPPGKUMJSA-N 563.942 3.020 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 408845812 ZMPANUYVRWIVBF-JVWAILMASA-N 527.599 3.375 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 408874585 CDZZZNCWMRNFPB-RWPZCVJISA-N 540.564 3.013 50 40 KGGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1cccc(Br)c1 100858440 MALBUIOHAZYYAX-HZHRSRAPSA-N 558.296 3.058 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(I)c1 103864543 RQYRQBDMOXEFJH-MYKKPKGFSA-N 602.223 3.113 50 40 KGGB O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1ccc2c(c1)OCO2 408730805 ISNWSTPMJUBBPQ-ZVBGSRNCSA-N 503.338 3.366 50 40 KGGB COc1cc(C(=O)N/N=C/c2cc(OC)c(OCC(=O)O)cc2Br)ccc1I 408746781 HBOJEQQBRUHSKR-ODCIPOBUSA-N 563.142 3.298 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OC)c(OC)c1 408940611 CQGVUTGGEJFJIJ-QFIPXVFZSA-N 547.033 3.242 50 40 KGGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1)c1ccccc1 409027969 WBENZKVEOUYQGX-UPHQNKNSSA-N 634.496 3.464 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409169873 RNMZMYGIGAKFGI-JLHUVHHFSA-N 628.851 3.106 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1 409268716 YBUJNWZZZHVATR-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1C 8384617 UWUKQYRAOSYZQY-NRXPLXKSSA-N 536.654 3.476 50 40 KGGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 14945373 MFJKEYFLNOUVDA-UHFFFAOYSA-N 508.991 3.474 50 40 KGGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408872992 QKHUDAJQHQSQCL-VUTHCHCSSA-N 579.635 3.332 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1 408920588 JPJLOQAAAFTOHR-IPISDEMTSA-N 524.599 3.018 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OC(C)C 408942701 GQQINBKGTITSMS-DEOSSOPVSA-N 540.642 3.367 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccc(OC)cc1 409249493 IRCQQYHZZYISDE-RWPZCVJISA-N 508.506 3.339 50 40 KGGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409406818 CYKBKCJLAADEDC-YKVYYGLDSA-N 502.439 3.263 50 40 KGGB Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NNC(=O)c1ccc(Br)cc1 892230 WSXUYJAHKWPSFF-UHFFFAOYSA-N 509.817 3.396 50 40 KGGB CC/C(NNC(=O)c1cc(OC)cc(OC)c1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 19894246 WMKHBESZXTYBCK-OQKWZONESA-N 523.571 3.178 50 40 KGGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21)c1ccc(F)cc1 101090460 YAIKEVIXMKMQOU-YWFXSLJLSA-N 564.415 3.307 50 40 KGGB CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408662519 FBGZBGKCCJIEJD-UHFFFAOYSA-N 517.966 3.410 50 40 KGGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1Cl 408678027 BGDMTPKGYLLHBL-LVEBTZEWSA-N 550.631 3.052 50 40 KGGB CCCC[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408682765 GUQUVEAMCUSNNZ-UZNKMTRFSA-N 565.626 3.442 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409161977 XYHZFRDEFKNBIU-OGHOLPNDSA-N 642.878 3.415 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(C)=O 409381999 JSCVADNCRUKULV-NOCHOARKSA-N 785.715 3.032 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCC#N 1529548890 PCIJPKCPJNVGPZ-DODIXHKQSA-N 616.494 3.245 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 19955560 KKYWFIWHYSFUTB-JVWAILMASA-N 527.599 3.462 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c(OC)c1 59436876 YFQUQFFTFNGRDG-OVVQPSECSA-N 525.583 3.211 50 40 KGGB O=C(N/N=C/c1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O)c1ccc(Br)cc1 97983810 FLNGNOAQYZPEBS-AFUMVMLFSA-N 547.398 3.348 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408719304 BMMZRKCNBAGDFS-LQKURTRISA-N 539.610 3.453 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)cc2OC)c(OC)c1 408956303 QMQGRZIGYLNJMQ-ZJAURVBUSA-N 605.442 3.195 50 40 KGGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cc(I)cc(I)c1O 408972312 AHANPJBHNSDMHI-DKNGMTOASA-N 589.171 3.068 50 40 KGGB CCc1ccc(N(CC(=O)N/N=C/c2cccc(OCC(=O)OC)c2)S(=O)(=O)c2ccccc2)cc1 409026772 XVYLKNFBZZWDPH-WPWMEQJKSA-N 509.584 3.146 50 40 KGGB C/C(=N/OCC(=O)N/N=C1/C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)[C@@H]1OC=CS1 100804066 UCAXXJZWJQPDLQ-ZXJQHAHXSA-N 520.615 3.386 50 40 KGGB O=C(COC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1)NNC(=O)c1ccc(Br)cc1 408647967 VWXXPKDMUFONRA-LBPRGKRZSA-N 529.174 3.113 50 40 KGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1 408862413 FRZBTCTXKGBOCJ-AJBULDERSA-N 574.663 3.179 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)Cc2ccccc2)cc1OC 59443878 CHIJWZMOMQSROL-JVWAILMASA-N 527.599 3.062 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCc1c(F)cccc1Cl 408608349 HFBCFNPZZIBPLA-PGGKNCGUSA-N 545.736 3.400 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408690077 TZCAXRRDBLEQFL-DEMIDWFSSA-N 578.257 3.488 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 408863617 TXDYNLPNAKFXDG-ZCTHSVRISA-N 573.631 3.453 50 40 KGGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 409168033 KSUMNEFTXRWTRF-RWPZCVJISA-N 504.543 3.427 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409259028 YWLAIRCTAGZKKZ-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccccc1 409349646 VUMIMVVGIOBFIE-SLEBQGDGSA-N 512.975 3.041 50 40 KGGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253488022 VOZLIOSVTCAVIP-MHTWAQMVSA-N 519.311 3.376 50 40 KGGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c(C#N)c1C 408546368 ILAUNHQFZLYMGG-WQRHYEAKSA-N 507.572 3.484 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cccc2ccccc12 408684050 JHVWIEOFDHYTEH-VSKUHVEHSA-N 578.257 3.490 50 40 KGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 408843136 RMNILHSHHWDPII-OCSSWDANSA-N 557.072 3.302 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1ccccc1C 409157597 PUQTUZQPCLZMCR-CCVNUDIWSA-N 563.449 3.165 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409316800 NCORPGDDZXSVFH-VQTJNVASSA-N 531.949 3.375 50 40 KGGB COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)c(OC)c1 409369696 WFECFQAUWVEKMB-YUMHPJSZSA-N 511.600 3.362 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 20060810 FMZISUSUOMZBKE-IPISDEMTSA-N 524.599 3.018 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)cc(Br)c1O 100698151 OUGQHIWLCWRDHR-WYJRTQJISA-N 550.369 3.434 50 40 KGGB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 103025142 HECLGNFIOOZPJU-UHFFFAOYSA-N 589.674 3.093 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(OC)c1 408923201 JRWSAZLWGOMEBN-IXYNZTCPSA-N 576.562 3.374 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)ccc1OCC(=O)N1CCOCC1 409011709 HGDSFHJJGRTGCC-BRJLIKDPSA-N 585.249 3.317 50 40 KGGB COc1ccc(C(=O)N/N=C\c2cc(I)c(O)c(I)c2)cc1 100186408 OMILFVNDLUOJOG-LSCVHKIXSA-N 522.080 3.374 50 40 KGGB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1C 102659197 HZBUFJLPXPAAGQ-XALOUDCRSA-N 541.236 3.197 50 40 KGGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCC(=O)NCc1ccccc1 408603304 GGJYKWZGPKTOPV-IBGZPJMESA-N 506.534 3.026 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 408865623 DEFXCBZHQWQFMB-BFGIPYBGSA-N 648.763 3.488 50 40 KGGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)OCc1ccccc1 408991643 QUFGMZQZQRFDHI-OFGWUUMASA-N 501.499 3.356 50 40 KGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)c1 409368916 SFVLIZBJDBVWNU-UFWORHAWSA-N 549.106 3.324 50 40 KGGB C#CCn1c(C)c(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 1529548512 IBCHTGYWVGVBJR-GQBAQEOFSA-N 543.649 3.468 50 40 KGGB COC(=O)c1ccc(NC(=O)COc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2OC)cc1 651602 DNTIUWNJCZUJOE-XMMPIXPASA-N 503.511 3.314 50 40 KGGB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(OC(F)F)c(OC)c3)CC2)cc1 14361320 WRCCGKRGDODYQQ-CVKSISIWSA-N 511.547 3.246 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 19955644 LSJWNTLPWIAYOP-JVWAILMASA-N 525.583 3.144 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc1Br 408691109 YGXWFRDAJFRTIO-GWABWREFSA-N 621.120 3.406 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OC(C)=O 408760344 XANNHYFLGCGHAU-BLTFUYFMSA-N 540.436 3.145 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 408840931 GNXOUMJTMWNPEV-QNKGDIEWSA-N 571.659 3.165 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)cc1OCC 408942063 FKDQESCVJVYURX-RUZDIDTESA-N 540.642 3.369 50 40 KGGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cc2c(cc1Br)OCO2 409112510 DCRKUPSFKGZNPM-KKMKTNMSSA-N 592.399 3.434 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 1529548646 KSTLKRZMEIOIKF-APVBSFROSA-N 678.518 3.184 50 40 KGGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 3290189 XAYQMWOGFMWHMR-UHFFFAOYSA-N 500.385 3.418 50 40 KGGB O=C(N[C@H](C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 12375907 NETHTNLPNXXNTD-ZUICHYAESA-N 504.890 3.106 50 40 KGGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408833773 UXKMSBHHPPNAIZ-KSEXSDGBSA-N 516.377 3.241 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1 408842518 PVMYQHXFKQKEJF-AJBULDERSA-N 594.690 3.441 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Br)c1 408997047 GBQRFZDOJNIAEC-VROXFSQNSA-N 510.772 3.193 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(Cl)cc1 409026486 QLLRPEGXADDSPT-UDWIEESQSA-N 505.765 3.251 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(=O)N1CCCC1 409168689 OINPZDMGEBHYFM-LGJNPRDNSA-N 598.825 3.433 50 40 KGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)c(O)c(I)c1 409373176 NZVLHALBPJCAMO-LSCVHKIXSA-N 551.078 3.202 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Br)cc1 1529544472 JJSMMTINVFDIFA-AXDLBROPSA-N 531.432 3.334 50 40 KGGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1O 36235429 GFEQAUNMUNTVCT-MGQFGIQPSA-N 503.515 3.296 50 40 KGGB Cc1cn([C@@H]2O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]3[C@H]2O)c(=O)[nH]c1=O 169748275 FXSUFWJWZYCZNU-ANTGDGSKSA-N 500.741 3.060 50 40 KGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1 408614623 FMHUTZUMXIFCNG-UVHMKAGCSA-N 543.374 3.225 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)OC)c(I)c1 408954740 ZPBSXOBRWGOAFK-HSZRJFAPSA-N 792.390 3.333 50 40 KGGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(I)c(O)c(I)c1 409361133 GSOCYVZTVXJFOG-UKWGHVSLSA-N 564.117 3.065 50 40 KGGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)o1 409410499 XPBVLFFWHVDCHM-ZDLGFXPLSA-N 581.490 3.312 50 40 KGGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)[C@@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 104606850 WPVIAKSVNNIBLP-SXOMAYOGSA-N 546.605 3.396 50 40 KGGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1 408616181 WYFVBIIFIJUGAR-UVHMKAGCSA-N 527.375 3.389 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc2ccccc12 408677677 DYCAMTBPEJTPIL-FFTGTZRRSA-N 564.230 3.099 50 40 KGGB O=C(COc1ccccc1I)N/N=C\c1cc(Br)c(N2CCOCC2)o1 408824096 PLBUDUYLABZRDC-JMIUGGIZSA-N 534.148 3.012 50 40 KGGB CCOC(=O)C1=c2s/c(=C/c3ccccc3Br)c(=O)n2[C@H](c2ccccc2Br)C(C#N)=C1N 101671110 LLKDJQISMTYXQI-LAINMTBBSA-N 587.293 3.317 50 40 KGGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(I)cc(I)c1O 408728134 IACCUJWTXFWTRO-FBCYGCLPSA-N 550.090 3.023 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1O 408760810 GEVQBNWQZZFEDM-AOOMUMSASA-N 559.426 3.157 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OC(C)=O)c(OC)c1 408954303 NHMFAPZRWUGWON-KMAYDHNJSA-N 603.426 3.103 50 40 KGGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C(=O)O)cc2)cc(OC)c1OC 409380080 HBYRUXRWXZZQNY-WDYNHAJCSA-N 685.642 3.262 50 40 KGGB COc1cc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OCc1ccccc1 100852358 ZYAZUCIXKOINTB-CEUNXORHSA-N 536.654 3.039 50 40 KGGB COC(=O)[C@H](/C(=N\NC(=O)c1ccncc1)C(=O)Nc1ccccc1OC)c1nc2ccc(Cl)cc2nc1O 104297292 ZDYDZLAMGKYVRL-PZYVFGQASA-N 548.943 3.074 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)c1C#N 105984475 HDGXOXAYGBVBTO-KIBLKLHPSA-N 528.319 3.256 50 40 KGGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408535315 NPFNMRKPSSOKTG-RXJBCPCZSA-N 503.902 3.207 50 40 KGGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OC 408950875 SOIHQJVUFKCIEE-RUZDIDTESA-N 552.653 3.317 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O)c(Br)c1 408952126 VMCPJGVXRZIWDH-NRFANRHFSA-N 547.431 3.040 50 40 KGGB CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(Br)cc1OCC(=O)OC 409022220 JWLKMOVZFMYMEQ-ZRGSRPPYSA-N 516.348 3.477 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409155540 LNZFXMYLEILJGM-YPXUMCKCSA-N 557.323 3.223 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(CC)cc1 409166248 CJDDUCGBZFNWNB-AKHCIFGASA-N 622.460 3.015 50 40 KGGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1OCc1ccccc1 2350038 VJZURPHAHGVFTJ-RWPZCVJISA-N 510.514 3.251 50 40 KGGB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1 8819223 PAEQNBRTAYNDTE-QGOAFFKASA-N 500.558 3.046 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccc(C)cc2)cc1OC 19955586 URGUVWPUDYRBLI-MFKUBSTISA-N 512.544 3.266 50 40 KGGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 100476187 FZVBNMGXXBQBME-WPWMEQJKSA-N 558.016 3.430 50 40 KGGB CN1CCN(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)CC1 101179615 UXNBVTGVUWBGKT-VLBGROSNSA-N 526.460 3.154 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408765958 SDFOHCIZZDTACB-OEAKJJBVSA-N 514.472 3.433 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1sccc1Br 408941464 DQSSGXIWQIPTGS-LJQANCHMSA-N 537.461 3.396 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(I)c1O 409003159 RIHFOCJJNCJBEU-IZWKTHEGSA-N 577.379 3.106 50 40 KGGB COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1OC 409041423 AATFTFBGUBPIHA-ZVBGSRNCSA-N 565.149 3.475 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)NCc1ccco1 409144724 OTSXUSUFJFBXGR-ATZGPIRCSA-N 622.631 3.231 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(CC)cc1 409259620 BNQQCRKGIGSDQQ-FDAWAROLSA-N 532.597 3.440 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)c1 409382979 SLZVMIBYCKDEBQ-FCHUYYIVSA-N 538.940 3.254 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1COc1ccccc1 2201609 WNRDVNWUALHSKK-RWPZCVJISA-N 510.514 3.154 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 19955996 FSVYMLOPYKEDOM-WPWMEQJKSA-N 523.615 3.065 50 40 KGGB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NNC2=c3cc(Br)ccc3=NC2=O)cc1 59856519 OUOIVHKSMGPHGD-UHFFFAOYSA-N 619.497 3.056 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc(C)c1Br 408685062 QATWSGYABBMHFR-MIDZPWGSSA-N 621.120 3.326 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)c(I)c2)c(OC)c1 408956901 RPTOPLLOMCHQEZ-MDHATTPZSA-N 636.443 3.419 50 40 KGGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NC[C@@H]3CCCO3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409331042 CEXNOFKKSMMKLE-MJXNMMHHSA-N 542.441 3.158 50 40 KGGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21)c1ccc2ccccc2c1 25784127 BSPSHVXLFSSQHR-RHANQZHGSA-N 507.558 3.493 50 40 KGGB COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)c1 408679354 DVDPNSYVEYAFAD-BDACHGGBSA-N 529.339 3.211 50 40 KGGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)ccc(Br)c1Cl 408687885 PNIFJEXQBVLWHF-UREMDMMTSA-N 552.636 3.358 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408863052 KNLADNGYJLMQFE-NIVXUIPCSA-N 624.716 3.032 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)O)c(OCC)c1 408940673 CSNWDNIBQAWTAU-XMMPIXPASA-N 649.520 3.196 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)c1C#N 409005558 FEKUDYBDZLMDJU-AMVVHIIESA-N 531.569 3.272 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F 409171091 ZACCUZMOMSKGAM-MNWHHQFISA-N 601.376 3.239 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 20231948 WMKLIVRYBBWLEE-JFLMPSFJSA-N 513.547 3.032 50 40 KGGB O=C(CNC(=O)c1ccccc1O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C\c1ccco1 102409958 WEXVUGIGQBDHQT-FGGNSFMGSA-N 512.316 3.247 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCCc1ccccc1)Nc1ccccc1 408613099 ZHRFPBDQBUDGSW-LQKURTRISA-N 523.387 3.276 50 40 KGGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1 408670912 YMXOUNKUJDXLBY-AZZUFQGZSA-N 520.372 3.041 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408783716 QKIJFKBHXZFTBN-JVWAILMASA-N 527.599 3.375 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(OC)c1 408923204 JRWSAZLWGOMEBN-VUCPWBMJSA-N 576.562 3.374 50 40 KGGB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 409184931 IOSVOHUSEZLWHS-WPWMEQJKSA-N 558.016 3.430 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1O 1529549443 ZCCGJAWZMDYPDI-WIGBRQBFSA-N 538.626 3.014 50 40 KGGB O=C(CNC(=O)c1ccc(Cl)cc1)NNC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20365814 FQRUUPHFWPCRPW-UHFFFAOYSA-N 518.323 3.201 50 40 KGGB Cc1ccc(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)c([N+](=O)[O-])c1 98044813 LHDMNLQYCJEOKT-FBCYGCLPSA-N 581.104 3.347 50 40 KGGB COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c(OC)c1 408686024 QZFMDVXPBIQGDV-IUOSPEFCSA-N 515.360 3.466 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCC#N 1529548982 RKUCPDZDHPVFOG-DODIXHKQSA-N 663.494 3.087 50 40 KGGB C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@@H]([C@H](OC(C)=O)[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]1Cl)[C@@]1(C)O[C@@H]1C[C@H]2OC(C)=O 102940380 ALCDJXWWURFGPE-RLIPEAOWSA-N 527.010 3.100 50 40 KGGB CCOC(=O)/C(=C/NNC(=O)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)c1ccccc1 408895655 VCBVMWNWNWYGAC-CJLVFECKSA-N 503.467 3.378 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(OCC)c2)c(OC)c1 408955201 OGKNORFWTMEDRN-UZXICYFGSA-N 677.505 3.128 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)c(OC)c2)cc1OC 409161348 UAGBDEVRNOOHPQ-WCMJOSRZSA-N 569.014 3.192 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC 409372914 NYWOLWZMGIAWII-FMCGGJTJSA-N 508.325 3.391 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c(I)c1 1529544828 OWQGOMUVEFNURK-UGIBUQJYSA-N 720.327 3.486 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1O 1529546886 IAPHVMFVDDVCKL-PAEFHUPLSA-N 547.431 3.040 50 40 KGGB O=C(Cc1ccccc1)N/N=C1\C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21 100747484 SYHOOJJUBOURAZ-QJHBHRRUSA-N 560.452 3.097 50 40 KGGB biogenic Cc1cc(Br)c(OCC(=O)N/N=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)c(Br)c1 104813212 SUVXGXDRSIGUMG-CJLVFECKSA-N 526.141 3.304 50 40 KGGB Cc1ccc(C(=O)NNC(=O)CCCN2C(=O)/C(=C3\SC(=S)N(CCCC(=O)NNC(=O)c4ccc(C)cc4)C3=O)SC2=S)cc1 150453201 LBQBGYZEELKAJP-WCWDXBQESA-N 698.874 3.018 50 40 KGGB O=C(CN1CCN(Cc2ccccc2)CC1)NN=Cc1cc(Br)cc(Br)c1O 254612492 JPEVWNIDCQJWEN-UHFFFAOYSA-N 510.230 3.185 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 408864379 ZMOPBJRWOPUQMO-PCLIKHOPSA-N 512.544 3.348 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409150518 CDQFLPQQQZDGOJ-LGJNPRDNSA-N 503.397 3.450 50 40 KGGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(N)=O)cc1OC 409313505 QBSJKYDYFMDALY-VROXFSQNSA-N 541.196 3.413 50 40 KGGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409376612 BTGZBCGMMPPGGF-VXKWHMMOSA-N 602.383 3.249 50 40 KGGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1 2261879 HYGRERHSMXLYAO-AFUMVMLFSA-N 526.596 3.435 50 40 KGGB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 9404152 VJJAMSHGJSTMEC-UHFFFAOYSA-N 500.558 3.247 50 40 KGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1 59884115 MSOLBJQYPKDXSN-LUOAPIJWSA-N 548.971 3.179 50 40 KGGB CCOc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1O 59921574 YCDMPQKIKQPDPB-OEAKJJBVSA-N 510.410 3.104 50 40 KGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)cc1 408914800 XUWATKCXSHCCTF-QQHUYRGFSA-N 529.400 3.385 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)cc1O 408948871 PXHFVHXMFNNXRJ-RUZDIDTESA-N 539.658 3.123 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 409221420 PYYZZAILHHKGQI-NSIKDUERSA-N 536.282 3.279 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C)cc(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409312807 NQQPOTJQVLKNPO-FCHUYYIVSA-N 507.568 3.200 50 40 KGGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 20230594 FGXADEJSQKMXIE-QFIPXVFZSA-N 505.575 3.497 50 40 KGGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(NC(=O)c2ccco2)cc1 408537025 UJVHHWGJADAWMH-JBUPRDAJSA-N 527.415 3.166 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408691146 YLZKERGPBWTYKD-SEXKYXSUSA-N 552.798 3.072 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409248887 FTMRNVDXAPLYIJ-KWJLSGNOSA-N 503.397 3.448 50 40 KGGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(I)cc1 14134309 QEOWLBIPVXYQKL-DJKKODMXSA-N 505.097 3.458 50 40 KGGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)o2)cc1 97980858 NGACQIZLRBEAIO-ZVHZXABRSA-N 530.609 3.220 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 100220826 IIEKJNQRYINOOK-TURZUDJPSA-N 567.624 3.176 50 40 KGGB COc1ccc2cc(C(=O)N/N=C3\NC(=O)[C@@H](CC(=O)Nc4ccc(Br)cc4)S3)sc(=O)c2c1OC 100971757 QGVRLMIFSADQIA-MRXNPFEDSA-N 591.465 3.302 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)ccc1O 409116187 OSGRNMLGKWOQHP-ZVHZXABRSA-N 565.389 3.351 50 40 KGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(O)c(I)c1 409371637 FQVRDISQTYQJQA-LSCVHKIXSA-N 504.078 3.360 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770050 PDNWJYYXMLXUQI-IRLDBZIGSA-N 534.594 3.161 50 40 KGGB CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 15134470 YAUYAYXNCDSTKB-UPZJTNLBSA-N 507.996 3.379 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)c2ccc(F)cc2)cc1OC 409119256 SALFVIGKVWTCJV-JFLMPSFJSA-N 529.546 3.114 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C 409157249 PJZJOKWFIHDIMV-PLUGIAEQSA-N 581.851 3.182 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)c(OC)c1 408949020 DQFLPEODZYFARR-OXQYWEMVSA-N 698.321 3.404 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OC(C)=O)c(Br)c2)c(OC)c1 408957952 WOTMRQPXKAYQSO-WQIORWNCSA-N 603.426 3.103 50 40 KGGB COc1ccc2cc(/C=N/NC(=O)CN(c3cc(Cl)ccc3OC)S(C)(=O)=O)c(Cl)nc2c1 20212111 HFZPMBLEMVYFOG-BHGWPJFGSA-N 511.387 3.475 50 40 KGGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(Oc2ccc(N/C=C3\C(=O)NC(=O)C(C#N)=C3C)cc2)cc1 100929842 BGUJGBPSCFDDSO-GACBQCINSA-N 520.505 3.063 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)NCc1ccco1 408859875 UPXNRVIBRFAKHC-OCSSWDANSA-N 591.602 3.229 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC)cc1OC 408949528 REXANWHSBWQOTM-QHCPKHFHSA-N 591.484 3.351 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N(CC)CC 408952707 WPJXINYYLVFKKY-VWLOTQADSA-N 568.656 3.326 50 40 KGGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 409158395 LBJARPHUQAUSKG-HKNSOBRKSA-N 510.419 3.248 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC 409170391 VBFAIMHOGDPYMM-KPGMTVGESA-N 674.492 3.452 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409378692 ROZYIGXUJPTYGR-SFTDATJTSA-N 575.357 3.299 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1 1529544677 LRNZGMNALAFKRA-NJTCQAJUSA-N 574.501 3.400 50 40 KGGB COC(=O)C1=c2s/c(=C\c3ccccc3Br)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1Br 1875155 JBADTOBTYHIOLU-DAIOKFOQSA-N 573.266 3.036 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc(Br)c1O 16249954 PMSFOZDQFGVPPR-ZVBGSRNCSA-N 504.790 3.041 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1 58925179 WETQNHYDWDDLBP-JFLMPSFJSA-N 513.547 3.032 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(I)c1OCC(=O)O 100063333 MCTGELQDXUUJBN-ZVBGSRNCSA-N 547.143 3.219 50 40 KGGB O=C1C(NNC(=O)c2ccc([N+](=O)[O-])cc2)=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C2=C1CC=CC2 101181460 QGFCNCNHOPAOGV-OOAXWGSJSA-N 512.931 3.426 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408830030 QWFLSRLNTHYQOV-CITUDQPQSA-N 594.690 3.105 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c1 408861593 DHAJFLIUPBGPTM-TWKHWXDSSA-N 564.664 3.432 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1ccccc1C 409158577 YJYKSVZHSKUQRQ-VVEOGCPPSA-N 597.422 3.279 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409253923 YMDGLBCYWNWRJO-QAYGKXGKSA-N 533.423 3.457 50 40 KGGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)o1 409407505 GJNOICWKUCLXKY-MFOYZWKCSA-N 535.421 3.015 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(I)cc1 1529544663 KYOIURQENONRNX-AXDLBROPSA-N 578.432 3.176 50 40 KGGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(OCCBr)cc3)s2)cc1 2285227 ZEAZSCPJRMJJSO-YDZHTSKRSA-N 518.393 3.266 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 20059927 LCNQKSBNCASCBL-MFKUBSTISA-N 512.544 3.266 50 40 KGGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)nnc2-c2cccnc2)cc1 101037793 QKCNDTFSGOKUGO-RWPZCVJISA-N 532.582 3.434 50 40 KGGB CCOC(=O)CNC(=O)[C@H](CSSC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC)NC(=O)OCc1ccccc1 103559739 RKJMTMANTPUDES-XZOQPEGZSA-N 621.734 3.200 50 40 KGGB O=C(CCl)O[Sn](c1ccccc1)(c1ccccc1)[Sn](OC(=O)CCl)(c1ccccc1)c1ccccc1 231972320 PKDCGHMVUWGQMP-UHFFFAOYSA-L 732.824 3.149 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408678741 BWIFRPKWKZELNZ-NBYRFIADSA-N 584.305 3.460 50 40 KGGB COC(=O)COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I 408749628 IBWNDKYLNJDLJZ-YSMPRRRNSA-N 544.345 3.229 50 40 KGGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408764773 SOXDONYHSPPHDZ-ZMOGYAJESA-N 541.567 3.490 50 40 KGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 408788752 FXHUTICVXWZZJP-VGOFMYFVSA-N 536.278 3.095 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1OC 409152370 JQLPUZSQWXZLMZ-WCMJOSRZSA-N 569.014 3.192 50 40 KGGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 8449834 DEMWVQANCKHZPI-QEJMNLJLSA-N 524.131 3.422 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1)NCCc1ccccc1 100056469 DGMUHUQRMZSUGB-LQKURTRISA-N 523.387 3.276 50 40 KGGB Cc1cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 100121218 AUOYHDIZLCUVQR-NYRFQVNLSA-N 605.742 3.308 50 40 KGGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1ccc(F)cc1 100270721 XXWPYJXTXHNXKG-VUTHCHCSSA-N 535.601 3.359 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2ccccc2)cc1 408776839 ZUXDGFXYJXLSFJ-UHFFFAOYSA-N 527.400 3.425 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1 408829010 NQRHMONAIYJSLA-NDZAJKAJSA-N 500.599 3.320 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)c2ccccc2OC)cc1 409024994 JNIKJXQJPWODQZ-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C 409150566 CRWIGLKPLFRKGG-MFYUCYCASA-N 537.400 3.073 50 40 KGGB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1cccc2ccccc12)c1ccccc1 409382095 KYXKKJAROQJFKA-RPWUZVMVSA-N 526.501 3.137 50 40 KGGB O=C(CCCCC(=O)NNC(=O)COc1ccc2ccccc2c1)NNC(=O)COc1ccc2ccccc2c1 8398573 CXBNDFGMIJMPLS-UHFFFAOYSA-N 542.592 3.306 50 40 KGGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NC[C@@H]1CCCO1 100398171 CHQXIONFZNTABN-AUIFSDOCSA-N 599.109 3.355 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(C)cc2)cc1OC 103897589 QATOZPUGAZBHDK-NIVXUIPCSA-N 624.716 3.032 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OCC 408861444 AMYOKKQCHLWFTR-OGRMWHIBSA-N 614.746 3.088 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c(OC)c1 408921969 CXNBTUZXRPPUKE-XHDTVTNOSA-N 520.464 3.044 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(F)c3)S(C)(=O)=O)cc2)cc1 409131858 PFRXFKGPIZDAEX-JFLMPSFJSA-N 512.563 3.068 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409159254 ZURSCPBKTMOWQG-IPPBACCNSA-N 624.476 3.316 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 409272723 RVBVNRZQNQLQJP-OKCVXOCRSA-N 502.571 3.404 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(Cl)cc2)cc1 20060983 XCTQDNKOVJNHSW-DHRITJCHSA-N 501.948 3.423 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1C 408616202 XEROVPOGSAXCJN-CCVNUDIWSA-N 502.999 3.356 50 40 KGGB COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408672445 ZDFDTYACVJMEAT-SFHVURJKSA-N 537.956 3.498 50 40 KGGB COc1ccc(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(OC)c1 408676585 ATZSWEQYORWHEW-YUEHCAIXSA-N 515.360 3.466 50 40 KGGB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1 408683795 IWONRBDPVZJDEN-QEQKNVQMSA-N 517.365 3.461 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)cc1Br 408905705 CRAACSJWLKDULS-CPUXBYDOSA-N 520.380 3.199 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccccc2)cc1 408925061 IGPBBDNLCRYIFW-BKZXGXTDSA-N 594.690 3.105 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1Cl 408947756 ODZZKTZAWSGNTC-OAQYLSRUSA-N 531.978 3.133 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)O)c(OCC)c1 408948474 PAXAGCPGPHBBSX-XMMPIXPASA-N 696.520 3.038 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)cc(I)c1OCC(N)=O 409017491 RSXCXGCALGGRKE-VTYAQBCGSA-N 678.911 3.464 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 409121087 VVPHXVVKZSUJRR-WGOQTCKBSA-N 503.621 3.495 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)cc1 15228805 DNOWYVCSRMBQGH-SXFMOBQTSA-N 523.659 3.418 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103865097 JYOFXRDNUMYKFM-FSJBWODESA-N 599.338 3.081 50 40 KGGB C[C@H](NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)c1ccccc1 408868151 MOGJKBJFQAWKAF-PFFIHKFBSA-N 530.368 3.169 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC 408973776 UZWIWPXRFQQYMV-ZMRKYAEKSA-N 527.618 3.396 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1cccc([N+](=O)[O-])c1 409024187 BBCGIHUOLVKQQM-VULFUBBASA-N 559.988 3.182 50 40 KGGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529546318 FBXARCQTRZQCIN-GHSKZQDZSA-N 615.506 3.355 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 408780722 JAJLVPYKPDYZSM-JVWAILMASA-N 527.599 3.375 50 40 KGGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1OC 408835607 OMFWRHLMGAQBPD-AQTBWJFISA-N 536.972 3.471 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)cc1 408856429 HDHDIAUHXXQUEJ-FDAWAROLSA-N 576.631 3.329 50 40 KGGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C(=O)O)cc2)cc(OC)c1OC 409380077 HBYRUXRWXZZQNY-FQLXRVMXSA-N 685.642 3.262 50 40 KGGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1cc(Br)c(O)c(Br)c1 33353182 XWEWMHPSYOJXHM-HOEBFWFUSA-N 535.156 3.049 50 40 KGGB NC(=O)NN=C1c2cc(S(=O)(=O)Oc3ccccc3)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)Oc1ccccc1)cc2[N+](=O)[O-] 158972776 HKKKIBNAYFDLGI-UHFFFAOYSA-N 639.580 3.440 50 40 KGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 408827475 JTFXTNWCCBOVSC-UXHLAJHPSA-N 585.082 3.232 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408863390 RRZQUPXSLZCFKZ-AFUMVMLFSA-N 557.541 3.174 50 40 KGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCC#N)c(OC)c1 408914760 XMFYHDRDGWAAQA-MJDKSPQASA-N 503.353 3.168 50 40 KGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)cc1 408915295 ZEDRYGCOLINDLS-QKIXXSFTSA-N 511.442 3.219 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1Cl 408947754 ODZZKTZAWSGNTC-NRFANRHFSA-N 531.978 3.133 50 40 KGGB CCOC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408948093 BWFABHLBAUETJK-NPELBABXSA-N 603.028 3.011 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408958657 ZTWKYWGGXGDIEY-KWJFVLQOSA-N 738.532 3.361 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(I)c1OCc1ccccc1 2198855 CZCMZTDKFVWFAP-LSHDLFTRSA-N 523.356 3.005 50 40 KGGB O=C(N/N=C\c1cc(Br)cc(I)c1O)[C@H]1COc2ccccc2O1 9019307 OVBJTNMQSQABFP-TZFWNBKVSA-N 503.090 3.049 50 40 KGGB O=C(NNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 150452200 GLKBORKSPLDQBD-JTSKRJEESA-N 681.498 3.398 50 40 KGGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 408797336 CKRSHECUVUAGAW-TWKHWXDSSA-N 594.715 3.450 50 40 KGGB C#CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408957436 ULFSDZKYGFLFMR-KIQFVGOMSA-N 599.438 3.190 50 40 KGGB C=CCOc1c(I)cc(I)cc1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1 408977731 JSQUFJGHIBIMPA-SSDVNMTOSA-N 614.185 3.264 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025057 KYBRQWKECYFDFG-WGOQTCKBSA-N 513.572 3.154 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409160995 SANBEPSAOVUARO-YCPBAFNGSA-N 605.216 3.353 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3ccc(Br)cc3)c2=O)=C(C#N)[C@H]1c1ccc(Br)cc1 2334278 XCGGMIQEFLEQBM-MAYQHFBPSA-N 540.240 3.386 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1F 103865201 MYJVCMATSUXEAL-MXAYSNPKSA-N 541.361 3.190 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc(Br)c(OC)c(OC)c1)S(C)(=O)=O 103895063 JPSPUJQPJBJFQB-LSHDLFTRSA-N 534.816 3.045 50 40 KGGB COc1ccc(NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2)cc1 105303991 INMKAPFHNLVGOR-CBKZDSQWSA-N 540.686 3.452 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(NC(C)=O)cc3)o2)cc1 408800830 RICXTNITKQAKMC-SEBMTOOBSA-N 716.773 3.053 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(I)c2)c(OC)c1 408955169 ODYXFNASJNDUBA-AIZXLIHESA-N 622.416 3.029 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1 1529548246 ZOSWJGPKVWLZCH-UGZOUUKJSA-N 639.912 3.451 50 40 KGGB COc1cc(N2N=C(C)/C(=C/NNC(=O)c3ccccc3I)C2=O)ccc1Cl 408537609 GHJDOJBGQMIJJX-UVTDQMKNSA-N 510.719 3.494 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408691154 YMEYUVNBOFSILV-RWQQGDIJSA-N 552.798 3.072 50 40 KGGB CCOC(=O)Cn1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 408953201 XADGOYNGTFYMHD-HHHXNRCGSA-N 577.663 3.089 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 409162309 ZVTHLTKOTXSDQH-PSZMBVDESA-N 571.350 3.231 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1cccc(OC)c1 409260579 SJGKERVCNQZISW-RWPZCVJISA-N 508.506 3.339 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1OC 409270311 PCNVZNBZKDOCGW-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1 409379676 ZLJIDJPBOXTIKT-UIOOFZCWSA-N 595.564 3.236 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3cccc(Br)c3)c2=O)=C(C#N)[C@H]1c1cccc(Br)c1 2051391 UHBYSHZMUZZXAH-YSLLPBIDSA-N 540.240 3.386 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770029 RUNMXJBOVPYRGX-IFMALSPDSA-N 518.595 3.461 50 40 KGGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2ccc(C(=O)NNC(=O)CCC(=O)Nc3cc(C)ccc3C)cc2)c1 8398884 ILKATMKEIIDEKW-UHFFFAOYSA-N 600.676 3.280 50 40 KGGB CCn1cc(/C=N/NC(=O)CN2C(=O)CN=C(c3ccccc3)c3cc(Br)ccc32)c(C)n1 20606690 LLKWWBRXBQYORF-KKMKTNMSSA-N 507.392 3.308 50 40 KGGB O=C(NNC(=S)Nc1ccccc1)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 32659552 CFUKOXZUJWWZPV-DEOSSOPVSA-N 523.634 3.019 50 40 KGGB O=C(NN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 408654462 QNFJLJNOTJYBLJ-ZNOWBECESA-N 510.997 3.416 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408666051 NMGIHTVDCLDPFA-UHFFFAOYSA-N 562.417 3.375 50 40 KGGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408820940 AQYZMMDIILYJSN-YGDLGDLOSA-N 559.044 3.069 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)c2ccccc2OC)cc1 409027735 GWPQFEPMHCILHG-MTDXEUNCSA-N 524.599 3.398 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 409172846 GASJJCUXMUYKNH-QAYGKXGKSA-N 580.423 3.299 50 40 KGGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)NCCCOC)NC(=O)[C@H]2C(=O)OC)cc1Cl 409312813 MRIXSUKRXSIBTO-ROUUACIJSA-N 530.430 3.016 50 40 KGGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1ccc(OC)c(OC)c1 705384 UJCJTBZRAWTJHE-PCLIKHOPSA-N 535.644 3.088 50 40 KGGB COc1nc(Oc2cccc(/C=N\NC(=O)Cn3nnc(-c4ccccc4Cl)n3)c2)nc(N2CCCCC2)n1 105960225 FPKCMHDQVVJUOX-DICXZTSXSA-N 548.995 3.120 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)cc1Cl 408777582 CMNXUZJLGXCDQW-CIAFOILYSA-N 535.791 3.260 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1C 408870997 WQLOCXQTZMDFEA-QHFGQAMDSA-N 536.654 3.476 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(CC#N)c2ccccc12 408951480 UFYGKWWIESDHDE-AREMUKBSSA-N 544.637 3.358 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3/CCS(=O)(=O)c4ccc(F)cc43)cc2)cc1 102979045 GTEATXSWOSRTPI-VYIQYICTSA-N 529.615 3.266 50 40 KGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(I)c2)cc1 408793791 GQYJKQJHRMTCCF-RIYZIHGNSA-N 506.252 3.087 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1OCC 408808896 GTEHIHRILVMRPK-LIOBOASVSA-N 500.333 3.453 50 40 KGGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408825452 IJLQNWRUMLGQOF-DICXZTSXSA-N 514.991 3.076 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1 408862304 XZNAQZJDTXTOEP-MZJWZYIUSA-N 532.981 3.413 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F 409164861 OTQJAILDVPEXFI-YPXUMCKCSA-N 557.323 3.223 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408691147 YLZKERGPBWTYKD-YRXWBPOGSA-N 552.798 3.072 50 40 KGGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1 408829045 NVEUSYQAAPGRBG-NDZAJKAJSA-N 596.731 3.300 50 40 KGGB O=C(NCc1cccnc1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 408874073 YBCAEUNWGBQMOR-LJUMEUDFSA-N 566.039 3.486 50 40 KGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(I)cc2)S(C)(=O)=O)cc1 408914801 XUWATKCXSHCCTF-WXUSHSQQSA-N 529.400 3.385 50 40 KGGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408958161 XKYIYVPPDQDCFH-UZXICYFGSA-N 633.054 3.019 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(OC)c2)cc1 409267276 MXSICYOSBMQGTD-OGLMXYFKSA-N 502.527 3.366 50 40 KGGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccncc3)C2=O)cc1 8820113 RZQZPMLTNDKTKE-CYVLTUHYSA-N 512.613 3.091 50 40 KGGB COc1cccc(/C=N/NC(=O)[C@H](C)Sc2nnc(S[C@@H](C)C(=O)N/N=C/c3cccc(OC)c3O)s2)c1O 97966513 YZAYELWWLSAOLC-CYIYIDEQSA-N 590.709 3.228 50 40 KGGB O=C(COc1cccc2cccnc12)N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408756088 TWXQIZWWYKZPBY-CVKSISIWSA-N 506.496 3.440 50 40 KGGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(C)=O 409375773 PBNNEKAGITUHHQ-VSJLXWSYSA-N 861.766 3.129 50 40 KGGB COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1OC 1812818 ALUSIVDZFXQNDP-KRUMMXJUSA-N 506.946 3.154 50 40 KGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)S(C)(=O)=O 20212810 AWBUNUFXUHPPSN-SSDVNMTOSA-N 501.834 3.393 50 40 KGGB CC1CCN(Cc2c(C(=O)N/N=C/c3cccc(OC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nnn2-c2nonc2N)CC1 102443207 AWKSYEMKODPQKJ-VFLNYLIXSA-N 609.003 3.009 50 40 KGGB COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)CC3=O)cc2)cc1 408653632 JDJZATBMYIJVJR-QGZVFWFLSA-N 537.956 3.498 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1 408838136 RSTUZUAZXMRUJC-JFLMPSFJSA-N 589.468 3.392 50 40 KGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(C)(=O)=O 408869861 SCTFYSIDNGZWRI-ODCIPOBUSA-N 502.774 3.056 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1)NC[C@H]1CCCO1 408874719 FSDXGMORYSQLHJ-ZWDSVTPMSA-N 555.679 3.447 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2ccccc2)cc1OC 409121717 VSEBHIYBHDMPEB-OVVQPSECSA-N 525.583 3.211 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 409261270 CDHXFDNAPLEDIZ-LQKURTRISA-N 520.542 3.209 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)c1 409388739 VWTDDHLBLCADKK-IZZNHLLZSA-N 613.579 3.446 50 40 KGGB CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCOc2cccc(NC(=O)CBr)c2)c1 1703365 PEHJQKXBMGWRFP-UHFFFAOYSA-N 503.401 3.053 50 40 KGGB COc1ccc(CC(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1OC 2254560 UJDRZMUPHWFJEX-SLEBQGDGSA-N 515.408 3.319 50 40 KGGB COc1cc(/C=C/C(=O)NNC(=O)COc2ccccc2C)cc(S(=O)(=O)N2CCc3ccccc32)c1OC 3360694 WZCPCQSQKCTQCH-OUKQBFOZSA-N 551.621 3.003 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770052 PDNWJYYXMLXUQI-UNMCSNQZSA-N 534.594 3.161 50 40 KGGB COc1ccc([C@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 20094987 VASJXEDXRILEHW-IZZNHLLZSA-N 516.579 3.387 50 40 KGGB COc1ccccc1NC(=O)CC(=O)N/N=C\c1ccc(N(CCC#N)S(=O)(=O)c2ccccc2)cc1 31830107 FXSUCKIVRVZBNL-USHMODERSA-N 519.583 3.283 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1)NCc1ccccc1 58881239 CSCJMRCHMGNEJF-JFLMPSFJSA-N 509.360 3.233 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 59246563 JZOBQNIFXSHANV-KSEXSDGBSA-N 511.760 3.372 50 40 KGGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3cc(I)cc(I)c3O)CC2)cc1 102931767 HWXXJSJEQNHVPH-WYMPLXKRSA-N 618.257 3.178 50 40 KGGB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]23C=C[C@@]2(C[C@H](OC(C)=O)CC[C@]12C)[C@H]1C(=O)OC(=O)[C@H]13 263611429 XCRYSOZAEGNUJX-KKRYHUDNSA-N 510.583 3.475 50 40 KGGB CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 408862674 HJOZJYRZWJXIHW-SDCZFJSOSA-N 509.968 3.187 50 40 KGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)cc1 409382869 WTGRCIPXZWDXKW-VSGBNLITSA-N 609.591 3.165 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816813 APZYWXRVJGRFHY-CVKSISIWSA-N 513.572 3.072 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408688363 QQQUYAGQDHIKKT-JOXPCTGNSA-N 537.572 3.234 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 408876301 KQURDPBMLWBBLX-LJVLJBDNSA-N 536.654 3.422 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OCC(N)=O 409224812 MVEMRUAKAPGCOD-OVCLIPMQSA-N 505.312 3.408 50 40 KGGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(N)=O)c(OC)c2)cc1 409226892 XSSFNAWJTJLBFT-RIYZIHGNSA-N 521.311 3.108 50 40 KGGB Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccco2)c1 409251279 PFEUPQJTADRJBN-KKMKTNMSSA-N 527.375 3.443 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409263007 GOMFNPSZZVRNAH-JBCPZZPVSA-N 508.497 3.486 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCC#N 1529549241 WRFCHXVPEWGHGZ-RXKNBZTKSA-N 542.017 3.127 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(Cl)cc2)cc1 14186190 CIJNKLPQDWTNIO-AFUMVMLFSA-N 501.948 3.392 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408979112 LKEZGBUFPTXNHK-TURZUDJPSA-N 522.627 3.427 50 40 KGGB COc1cc(/C=N/NC(=O)CCCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc(Br)c1O 1871433 CFHZHBZNVUZYET-JTZQCBLNSA-N 586.237 3.411 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408677435 AOXRLZICMLIAEG-KPIIRZJKSA-N 584.305 3.461 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 408978247 HGXIAHNIHRVUON-TURZUDJPSA-N 521.643 3.095 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC 409175435 RJSRDGJASHBGML-WCMJOSRZSA-N 660.465 3.144 50 40 KGGB O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 16450633 XRHSKTNIDSEEDY-OCHFTUDZSA-N 514.450 3.203 50 40 KGGB O=C(CNC(=O)c1ccccc1Br)N/N=C\c1cc(Br)c(Br)o1 36077421 DARGJORMGKULOV-SWNXQHNESA-N 507.964 3.447 50 40 KGGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 98002567 LRQIBGDSQYAHJQ-JVWAILMASA-N 579.697 3.405 50 40 KGGB CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC(=O)O 408979294 MEQHHINQHPFUQI-ZVMZLPNLSA-N 539.610 3.417 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1ccccc1C 409164082 CFWFPGCHTCSNCQ-KKMKTNMSSA-N 543.374 3.143 50 40 KGGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2OC)c1 409272042 XZUVSSBTBSDLRT-RWPZCVJISA-N 504.543 3.427 50 40 KGGB COc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1Cl 409333740 VLLAAPBFEJNMNS-ZZIIXHQDSA-N 527.002 3.349 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)o1 1529547897 RHEJYHDKZXPRCO-SIBVSACJSA-N 513.620 3.011 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)c1CNc1ccccc1 2205112 ADMSEDYKQLJXBJ-AMVVHIIESA-N 527.520 3.327 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2cc(Cl)ccc2OC)cc1OC 150474630 GTKAKJLQTKDXHH-OCSSWDANSA-N 648.094 3.456 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 408609783 LKVGLHJFUJKBKP-NXUGVVLJSA-N 533.423 3.457 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408688368 QQQUYAGQDHIKKT-SFZWCLMXSA-N 537.572 3.234 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)cc1 408691195 YUAOSZRAJAMBDO-BDACHGGBSA-N 545.375 3.239 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408761049 GXUKYPKMUUVGNH-MHWRWJLKSA-N 566.386 3.289 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409156960 UETSOHWBDLBOTF-OPEKNORGSA-N 584.798 3.090 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1O 409251731 QKBUHHYATBYCPY-IFRROFPPSA-N 508.099 3.401 50 40 KGGB Cc1cccc(COc2cccc(/C=N/NC(=O)c3nnn(-c4nonc4N)c3CNc3ccccc3)c2)c1 2205626 LQDIMUGLBYDPQY-FJEPWZHXSA-N 523.557 3.496 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100769898 TVNRJHJCDOMWKB-HJBKYJGJSA-N 531.602 3.330 50 40 KGGB biogenic O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 100958733 SDCUAFVXZSECGZ-OCSSWDANSA-N 591.602 3.229 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1 408803003 KHMCCCGNZMBROG-AJBULDERSA-N 624.741 3.459 50 40 KGGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1)S(C)(=O)=O 409122735 BHGYXZXRNKQDEO-RSBFIHLVSA-N 578.691 3.399 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1 409173883 KYMJXNZWUXPWHT-KQCGQVILSA-N 551.825 3.174 50 40 KGGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(I)c1OCC(=O)OC 409220947 IFSAPECOHUTPBK-KSEXSDGBSA-N 514.291 3.074 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409320985 DBMDBGBXEKOWFR-NHCUHLMSSA-N 544.427 3.245 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408683731 IQLFJXNTJWVMDO-PPTJPPEBSA-N 628.314 3.293 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408773440 KTWQLSRGIWNLAG-CVKSISIWSA-N 511.556 3.056 50 40 KGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(O)c(I)c1 408905791 DXJWWWYRGYLVJS-CNPYVQQSSA-N 607.186 3.409 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC)c(OC)c1 408951542 URXGCDPSWYWFQM-QFIPXVFZSA-N 591.484 3.351 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OCC)c(O)cc2Br)c(OC)c1 408955195 OGAYIOTVQKBRIM-ZJAURVBUSA-N 605.442 3.282 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1cc(Cl)ccc1C 409150571 CRWIGLKPLFRKGG-WBFLIZMFSA-N 537.400 3.073 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1C 409266460 YYZUACABVNJJIR-WKULSOCRSA-N 533.025 3.446 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1F 20211708 BQCYHLJRVUYGEZ-AFUMVMLFSA-N 500.508 3.229 50 40 KGGB [O-][n+]1c(CBr)c(CBr)[n+]([O-])c2c1[C@@H](Br)CC[C@H]2Br 100314662 ICJFMSNXNLDNAJ-OLQVQODUSA-N 509.818 3.409 50 40 KGGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1OCC(=O)NCc1ccccc1 408603306 GGJYKWZGPKTOPV-LJQANCHMSA-N 506.534 3.026 50 40 KGGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 408711756 JCOCTGHBQIKIAX-ZVBGSRNCSA-N 547.143 3.378 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)cc2)c1 408855209 AKAJJTBFWMHZSX-JVWAILMASA-N 525.583 3.129 50 40 KGGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)cc1 408863730 PBZLLCOVQKHKBD-WKTMJKCCSA-N 554.625 3.026 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c(OC)c1 408949190 DYNMBYWUBWGHSD-OXQYWEMVSA-N 609.419 3.186 50 40 KGGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc([N+](=O)[O-])cc1 409381593 HGIUVZDNWPLNGS-WOJBJXKFSA-N 590.328 3.198 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19956084 DCVKOWBFTIITHG-KOEQRZSOSA-N 512.544 3.353 50 40 KGGB COc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC)c(Br)c2)C=3C#N)cc1Br 97944494 VFTUBUPUWIGHML-SCYLGRJTSA-N 600.292 3.403 50 40 KGGB COc1ccc(/C=N/NC(=O)C2=NO[C@@H](c3c(Br)c4c(c(OC)c3OC)OCO4)[C@H]2C)c(OC)c1 100237301 UVCBPJWGSCJZPC-WJFFVPKSSA-N 550.362 3.426 50 40 KGGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408952406 KGDAOYJTWUVMCR-TUYTUYLVSA-N 690.491 3.431 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409154136 JTWSKJYARCIIOA-WKULSOCRSA-N 569.412 3.250 50 40 KGGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1ccccc1C(F)(F)F 409156234 NIYFMHKSXIGCHF-IURWMYGYSA-N 542.470 3.218 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1C 409256763 PTGHABGVOQIYNT-HURLIOHXSA-N 503.397 3.448 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1cccc(Br)c1 409322759 KVLPCMNNCWFLLM-UXHICEINSA-N 514.401 3.236 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1 16291400 PASJQOPRINBIKK-DICXZTSXSA-N 509.632 3.440 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408749568 QRCOAZOKMXWDKI-LPYMAVHISA-N 500.445 3.043 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccccc1Cl 409169047 OKPWRDUOMRPFHE-LHPMMCHCSA-N 628.851 3.106 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1 409184060 IESVQPLLSXUDQT-BKZXGXTDSA-N 594.690 3.105 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1OC 409254812 GCTHYTRPHQIUMZ-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB CCOc1cccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)c1O 409372014 KVQWQUDTHQEKBC-YUMHPJSZSA-N 511.600 3.449 50 40 KGGB COc1c(OC(C)=O)ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1[N+](=O)[O-] 100047310 HHALETUWDDQUKN-PIUUNQSLSA-N 546.492 3.179 50 40 KGGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc(OC)c1OC 408534974 NEEQBNRVYMAZOP-HCXDNJAASA-N 593.980 3.233 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Cl)cc1Cl 408687708 VHIGAEKCAKFHHS-JUYHGQFASA-N 583.060 3.253 50 40 KGGB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)cc1 408689438 YDUNHEQPESFLOW-BDACHGGBSA-N 549.395 3.060 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408751901 AFQUUYYRBBZWNF-VMBKIOOXSA-N 604.663 3.133 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 408800130 KVWUBUWIPUTBIO-DBFSUHOCSA-N 574.377 3.107 50 40 KGGB CCOC(=O)COc1ccc(Br)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408939647 BCFMMEJHQHDRBY-VWLOTQADSA-N 633.521 3.276 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccc(I)cc1 409028736 QXANRCIEGKOZHM-CVKSISIWSA-N 612.490 3.035 50 40 KGGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)NCCCOC)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409312815 MRIXSUKRXSIBTO-ZWKOTPCHSA-N 530.430 3.016 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OC)cc2OC)cc1 59443974 XNGDEHDPNHQODN-OVVQPSECSA-N 511.600 3.096 50 40 KGGB Cc1cc(C)nc(SCC(=O)N/N=C\c2cc(I)cc(I)c2O)n1 100305736 POUCYMRVQFJBET-FXBPXSCXSA-N 568.178 3.251 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC(=O)Nc1ccccc1Cl 408611004 PINVSPAHOCZGAT-YSURURNPSA-N 525.787 3.103 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 408825747 BXSOFAUPIUHUBD-MFKUBSTISA-N 512.544 3.266 50 40 KGGB N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)NCc1cccnc1 408837277 BLQKRRDXNGQJSM-YBEGLDIGSA-N 501.362 3.139 50 40 KGGB C=CCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408950363 SESJPKDFMSPWAF-RUZDIDTESA-N 538.626 3.145 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)S(C)(=O)=O 28213215 ISHQDMWAOUVLCZ-OGLMXYFKSA-N 522.627 3.491 50 40 KGGB O[C@H]1CC[C@H]2[C@H]1[C@@H]1[C@H](I)[C@@H]3[C@@H]4CC[C@@H](O)[C@@H]4[C@H]4[C@H](I)[C@@H]2[C@H]1[C@@H]43 104288757 QTTBMGMBEGMWKJ-JBTXBREESA-N 526.196 3.119 50 40 KGGB CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(I)c1OCC 408724835 DOQMNDVYWJQMPV-AUEPDCJTSA-N 511.316 3.380 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(I)cc1 409028296 LHEFRZMKWYCGMB-MFKUBSTISA-N 577.400 3.427 50 40 KGGB [O-][n+]1c(CBr)c(CBr)[n+]([O-])c2c1[C@@H](Br)CC[C@@H]2Br 1232541 ICJFMSNXNLDNAJ-WDSKDSINSA-N 509.818 3.409 50 40 KGGB COc1ccc2cc(/C=N/NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c(Cl)nc2c1 408861324 QMJPIKZIZRIIQR-TWKIEXGSSA-N 628.132 3.111 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Cl)c1 408943500 HQIWBIGPCZSSHO-HSZRJFAPSA-N 609.488 3.430 50 40 KGGB CCOC(=O)Cn1c(C)c(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c2ccccc21 408950672 HHTGUPKZRMSUGB-BDNIMIHHSA-N 605.648 3.242 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c2ccccc2OC)cc1 409028566 OVPQJOOHCOHBDB-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB COc1ccc(/C=C/C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1S(=O)(=O)N1CCCCC1 12530045 YPRYQAVLKLIORQ-YRNVUSSQSA-N 522.023 3.071 50 40 KGGB Cc1c(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408774365 VJDNMOGIQFXNOM-OGLMXYFKSA-N 538.029 3.483 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(OCC)cc2)S(C)(=O)=O)cc1OC 408838655 ZAYNOTYPDQTDRG-ZVHZXABRSA-N 540.436 3.338 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Br)s1 1529545923 BYCZTMYGJZZOSA-LGWXCPLXSA-N 537.461 3.396 50 40 KGGB COC(=O)C1=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(Br)cc1 1762288 AKHQDSBBWDEIKB-DAIOKFOQSA-N 573.266 3.036 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC 8812386 MDHXQOTZKWFBCD-LSHDLFTRSA-N 500.264 3.145 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2ccc(C)cc2)cc1 20060724 TWQXDEKZJXNAFL-MFKUBSTISA-N 512.544 3.266 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2cc(Cl)ccc2OC)cc1OC 100304494 GQZAKIGZBUQKLT-RWPZCVJISA-N 576.027 3.483 50 40 KGGB CC(C)C[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)O 100589088 UKEGJFCNVSBHRO-DRSRMNNZSA-N 582.691 3.030 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 408869180 RYLMANAAMVRRIJ-LQKURTRISA-N 556.666 3.017 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(I)c1OCC(=O)O 409003899 VVHFJMMWTQYWDR-VOZXZEHESA-N 763.348 3.408 50 40 KGGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 59498785 HMKKIGOOEMXEBJ-LSHDLFTRSA-N 508.476 3.089 50 40 KGGB CC(C)C[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)C(=O)O 100589083 UKEGJFCNVSBHRO-HFXHQRCSSA-N 582.691 3.030 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(Br)c1 408940553 CLRWZJYJBPKWRX-NRFANRHFSA-N 531.432 3.334 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1Cl 408998700 RYAHADOBTUZLEN-MYKKPKGFSA-N 569.821 3.271 50 40 KGGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1)c1ccccc1 409125767 KIMLIYRJCBFTCG-IPISDEMTSA-N 508.600 3.103 50 40 KGGB COc1cc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc(OC)c1OC 1255300 XCYFNNIICFIHPP-QFMPWRQOSA-N 536.972 3.163 50 40 KGGB COc1c(Br)c(C[C@H]2CC(C(=O)N/N=C\c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 36556694 VULRSVHFQOCICZ-BLYHXQGHSA-N 508.300 3.172 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1)NC[C@@H]1CCCO1 100432162 VYVRLDWWPNMDNT-SXMPYHCESA-N 530.581 3.028 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCc1ccc(Cl)cc1 408611024 PNKMGLNHGIOPBV-AUEPDCJTSA-N 527.746 3.261 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408769367 SCEQDHMWVATWIW-JVWAILMASA-N 540.598 3.016 50 40 KGGB C=CCOc1c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 408953158 WWTRRHCZGYFRKG-XMMPIXPASA-N 538.626 3.145 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409262594 JAOBMPQBMIGSKX-IPPBACCNSA-N 533.025 3.364 50 40 KGGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 2646686 BULLWYLZQXSTKY-UHFFFAOYSA-N 522.461 3.418 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)COc2ccc(C)cc2)C(C)C)cc1 8440945 JGHJGVCTPHOOFZ-SANMLTNESA-N 532.597 3.237 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409255250 ZOIXHELMWPRJTH-LUOAPIJWSA-N 519.341 3.379 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(Cl)c1 409267696 XDMYXRWTMVPLCH-WKULSOCRSA-N 508.962 3.441 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OC(C)=O)c(Br)c1 1529548902 PLTBEESGBUKRLH-ALORDFFLSA-N 589.468 3.259 50 40 KGGB CCOC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)o1 408926068 WYIMDJHZBADNNJ-XBLJSKHHSA-N 590.589 3.462 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1c(C)cccc1C 409162253 ZANFFGCRZJKDMW-KVSWJAHQSA-N 604.401 3.294 50 40 KGGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409316754 QVTUNDFJBHXXFO-ROUUACIJSA-N 512.415 3.485 50 40 KGGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)Cc2ccccc2)c1 409369414 MUCSMHGIAIQZNW-NTFVMDSBSA-N 557.625 3.071 50 40 KGGB C#CCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCCC2)cc1I 409373113 PVGIUNCCBIVTEX-MDWZMJQESA-N 532.119 3.437 50 40 KGGB COc1ccc(C(=O)NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)cc1 1326692 OJHODESNGXAKDS-DNVCBOLYSA-N 503.437 3.356 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770028 GFORCXQTDKRNDR-UNMCSNQZSA-N 518.595 3.461 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Cl)c1OCCOCCOc1ccccc1C 13799375 WLYKOPWQYGLDEB-VULFUBBASA-N 520.011 3.258 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1OC 19816784 MLFUTBQOIQJTIH-MFKUBSTISA-N 512.544 3.266 50 40 KGGB COc1cc(/C=N\NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 35409510 DLGUFXOBPVDLDS-YUMHPJSZSA-N 511.600 3.362 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)c(OC)c1 408686637 NIQLJFHJXLCVNH-ONOFXPIZSA-N 547.391 3.469 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 408867088 JUPKQBVCFWXPOW-VKVKMMGJSA-N 607.929 3.472 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409117949 MECWEPXTWUWRTH-OVVQPSECSA-N 527.599 3.457 50 40 KGGB Cc1ccc(CN(CC(=O)N/N=C/c2ccncc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409149822 RRMIYMPFVGVHSL-AFUMVMLFSA-N 501.406 3.494 50 40 KGGB C=CCOc1c(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 1529549259 WWTRRHCZGYFRKG-CGNQLUSGSA-N 538.626 3.145 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(O)c(OCC)c2)c(OC)c1 408957983 WTJQQURWAJWZAU-JTCJDYCESA-N 652.442 3.124 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409166217 CROQXKWMRQYEMR-KIBLKLHPSA-N 537.798 3.166 50 40 KGGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(Br)cc1OCC(=O)OC 409232499 ISWJRWSAOZEJOQ-LSFURLLWSA-N 511.398 3.049 50 40 KGGB CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OCC)c2)cc1OC 409320834 FLRDVPVQWDNJCL-KSEXSDGBSA-N 542.326 3.325 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OC 1529548450 GRFAFDCDWFIFGH-BOGNPUBTSA-N 638.484 3.193 50 40 KGGB COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3O)n2-c2ccccc2)cc1OC 6162834 PQINRBCYBBKFGC-UHFFFAOYSA-N 505.556 3.210 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(OC)c2OC)cc1 59443973 QVVKWLSZLFOAGB-OVVQPSECSA-N 511.600 3.096 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cccc(Cl)c2C)cc1 103898461 HOFIKZJXUYIJBL-CCVNUDIWSA-N 529.018 3.167 50 40 KGGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 263625951 SSXMFVCGLFKAPS-KXTAGPOFSA-N 616.719 3.316 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408683547 IHIHEONQAKNHFA-GPUOULLFSA-N 525.561 3.378 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OC)c(OCC)c2)c(OC)c1 408958234 XYIIOEQCSOFNBQ-OHPKEMRTSA-N 575.018 3.476 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 409379771 ZSAPJJZLCYHTJU-KYJUHHDHSA-N 669.643 3.182 50 40 KGGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCC(=O)O 1437699 GHEQJACTNGGISC-ODCIPOBUSA-N 516.142 3.213 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NNC(=O)c2ccccc2)cc1 6924836 GDRQBNXHKOCMCT-HHHXNRCGSA-N 552.587 3.455 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccc(Cl)cc1 408685287 LFIMHHOAQAEGTB-RDGPPVDQSA-N 552.798 3.072 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1cccc(Br)c1 409028065 JHJXFOUNNODRLK-UDWIEESQSA-N 550.216 3.360 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409267903 PUFXXLLGEOZGII-OKCVXOCRSA-N 502.571 3.404 50 40 KGGB CCc1ccc(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2ccc(CC)cc2)cc1 8400267 XNTWBPJBAJUBNH-UHFFFAOYSA-N 540.661 3.295 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 19951377 HUKGZBNNJZQMKL-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 58924862 PYGYHSXGWMDJCA-PCLIKHOPSA-N 512.544 3.348 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc(C)c1Br 408691040 XVNCKAOZNAYWIA-FHPZBCKDSA-N 532.218 3.013 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Br)cc1 408944689 JJSMMTINVFDIFA-OAQYLSRUSA-N 531.432 3.334 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1Br 408947984 OKHMVSSVGDLLNR-NRFANRHFSA-N 531.432 3.334 50 40 KGGB Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)c1 409158727 YSJFPSNQDHYQEL-RPPGKUMJSA-N 503.397 3.306 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccnc3)C2=O)cc1OC 8819968 HVKIMGOZQCIDKX-ZHZULCJRSA-N 514.629 3.322 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 100034950 FUKGFLVNIJMXIR-RLWVUDJFSA-N 535.513 3.489 50 40 KGGB CC(C)[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)O)C(C)C)NC(=O)OCc1ccccc1)C(=O)O 150378244 OZZAPQKIAFTDKA-ASDGIDEWSA-N 706.840 3.409 50 40 KGGB COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408789737 KQFLOELPPLQXIQ-AWNIVKPZSA-N 537.266 3.305 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408831322 VEBIXBZSSWTOCM-HUEHPZEESA-N 594.690 3.023 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC(C)=O)c(OC)c1 408944570 IZVDGLTVAVXRRR-HSZRJFAPSA-N 666.494 3.110 50 40 KGGB Cc1cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2)ccc1Br 409259708 CYPXXBPRAAMWDY-MZJWZYIUSA-N 533.423 3.156 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2ccc(C)cc2)cc1OC 408778629 JCCUYJFSJHKVPP-UHFFFAOYSA-N 587.452 3.443 50 40 KGGB C=CCc1cc(/C=N\NC(=O)c2ccc(I)c(OC)c2)cc(OC)c1OCC(=O)O 408815481 JLKCXNOPDZQSOP-KSEXSDGBSA-N 524.311 3.264 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 408825507 CUNKHLODELKHAU-CVKSISIWSA-N 501.536 3.197 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 408837289 BPUNTPJJNHHAGB-WUQZZNSYSA-N 629.533 3.469 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409152970 CGFSAEBBWUDRNJ-LHPMMCHCSA-N 537.400 3.155 50 40 KGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)n1 409244664 GZLDBKFPQUIHQN-CGOBSMCZSA-N 532.214 3.324 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2cccc(Cl)c2)cc1 409137519 WWWHHLBOYVVZIC-AFUMVMLFSA-N 501.948 3.392 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C)c(OC)c1 409252127 QQVDIICZQPCWCA-HURLIOHXSA-N 519.396 3.148 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 100224227 JKOVMVHMODRGOS-JVWAILMASA-N 543.598 3.162 50 40 KGGB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNS(=O)(=O)c1ccccc1 101007065 MNSSZYZGZLRWFD-ZHZULCJRSA-N 533.653 3.187 50 40 KGGB CCOc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 103353029 GIDXFVDEGMPFDI-YYBBSHPISA-N 514.214 3.190 50 40 KGGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 408875990 MZNCRDWGMIUSSR-UVHMKAGCSA-N 529.537 3.342 50 40 KGGB CCOC(=O)COc1ccc(Cl)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408949384 QUJQCYIYVGGZIC-VWLOTQADSA-N 589.070 3.167 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)cc1 409253100 GBGURNYJNLCYGP-OGLMXYFKSA-N 502.527 3.366 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 409253816 GQNHPBWJGASXKR-RWPZCVJISA-N 504.543 3.427 50 40 KGGB CN(c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 4083280 UNEQKGIMFQORRJ-NLRVBDNBSA-N 523.571 3.020 50 40 KGGB O=C(CNc1ccc(I)cc1)N/N=C/c1cc2c(cc1Br)OCO2 14134306 UIGHWYZRPVVUBF-IFRROFPPSA-N 502.106 3.345 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 59443667 TUECVTBLRKEPIG-JVWAILMASA-N 524.599 3.003 50 40 KGGB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 408660518 LXQHEOFFNXCICW-UHFFFAOYSA-N 503.939 3.020 50 40 KGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1I 408794879 KGFCORBAGXPLGU-OQLLNIDSSA-N 520.279 3.175 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 408832603 UYZGIQAZBXREIV-WUQZZNSYSA-N 629.533 3.469 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4C#N)C(=O)[C@H]23)OCCO1 112256096 OWXYVRZKKBTFGW-GNUBZPRISA-N 546.583 3.364 50 40 KGGB COc1ccc(OC)c(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 408688915 XFHUNEAPRPTCQR-BZDUYGCESA-N 515.360 3.466 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1OC 408816192 REPMWIIKEXFRKS-AJBULDERSA-N 640.740 3.159 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OC 408863882 ROOIQNBVQCILDX-ZMOGYAJESA-N 540.436 3.256 50 40 KGGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)cc1 408880174 DUIRCFGKUGQUMR-ZCTHSVRISA-N 550.681 3.464 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)c(OC)c1 408954226 YUIYNNDWZSOSSV-RQDDCGEVSA-N 652.442 3.037 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1OC 409138202 YSWSXPZHTKBUSW-WGOQTCKBSA-N 530.534 3.487 50 40 KGGB O=C(CNc1ccc(F)cc1)N/N=C/c1cc(I)cc(I)c1O 409363402 VWCMFAJPBABFOL-IFRROFPPSA-N 539.086 3.303 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)c2ccccc2)cc1OC 409132721 LNQVYYXQEJCSGR-MTDXEUNCSA-N 524.599 3.398 50 40 KGGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O 4707101 DGOPINOGGYUGAU-BJKOFHAPSA-N 522.473 3.308 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccccc2)cc1Cl 19951837 QMELFYOYXXSLSA-AFUMVMLFSA-N 501.948 3.392 50 40 KGGB COc1ccc(Br)cc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1cc(Br)ccc1OC)C=2C#N 100050832 RJJADXABHHGLON-YBETYGMLSA-N 600.292 3.403 50 40 KGGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 102995400 IFLINZSIEPRJQA-FQEVSTJZSA-N 522.366 3.395 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)c(OCC)c2)c(OC)c1 104625905 TWRIEIPZVOTLHW-IRSOAJISSA-N 554.600 3.213 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408683732 IQLFJXNTJWVMDO-PWNYLBOHSA-N 628.314 3.293 50 40 KGGB COc1ccc(OC)c(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)c1 408770821 ADTVPJSDBZBECU-UHFFFAOYSA-N 573.425 3.134 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc(Br)c1OC 408830885 OQOLIBXOBBYTCA-UFFVCSGVSA-N 549.241 3.145 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OCC(=O)OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408860585 ZGHFIZVEKOKKBZ-OGLMXYFKSA-N 539.610 3.291 50 40 KGGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 408926843 YUBHLLQSZAMWPS-ZVHZXABRSA-N 512.500 3.093 50 40 KGGB CCCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408943573 HVTIASOZNMWOCZ-VWLOTQADSA-N 540.642 3.369 50 40 KGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 409183357 BEANIYDPKCOXAE-MUFRIFMGSA-N 543.045 3.260 50 40 KGGB C[C@@H](OC(=O)COCCOCCOCC(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060993627 QTZPYAIRBJSUJC-WOJBJXKFSA-N 710.605 3.024 50 40 KGGB CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 13573661 AXWJFTIPLITRHJ-ICBALBMBSA-N 522.421 3.480 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 28213223 DUQUZGGYYJGIBB-LQKURTRISA-N 526.590 3.322 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1 100145467 BYBLTJKBPDDFMP-QNKGDIEWSA-N 601.685 3.227 50 40 KGGB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@@H]3C4C5[C@]1(CCI)[C@]5(CCI)[C@H]2[C@@H]43 104287621 XBITYSUNEFXMDL-SVAAPTJESA-N 587.199 3.039 50 40 KGGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253486925 BCOCWDQCPRYCFE-PLACYPQZSA-N 519.311 3.376 50 40 KGGB O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408685806 ROIUNUFEKCGQEG-RPKLWRKESA-N 841.230 3.376 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCC#N 408949699 RKUCPDZDHPVFOG-QHCPKHFHSA-N 663.494 3.087 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N2CCCCC2)o1 408952732 WRWPLKKOIWPKRT-DEOSSOPVSA-N 525.631 3.155 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCC(=O)N1CCOCC1 409013867 NXEDOWWDNFDBLN-RDRPBHBLSA-N 504.587 3.494 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409150319 BJMGGEDVNQUACV-JJKQSNDFSA-N 572.496 3.227 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1cccc(C)c1 409155101 BPZHAMOMHHRLGQ-WKULSOCRSA-N 624.476 3.397 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1 409265296 RYMXFQQRWRTXMK-RWPZCVJISA-N 518.998 3.138 50 40 KGGB CN(C)CCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 2793840 IHDVMFRZIWLRKZ-HOCLYGCPSA-N 503.982 3.257 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)cc1 408678631 BSRQRAJUXVVHII-BQAIHONLSA-N 517.365 3.461 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1C 408678674 FXZOFRSKDIZVGS-AYCMENBISA-N 621.120 3.326 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(OC)c1 408921652 BTXINXIJKWOLDT-ZLYQEWHFSA-N 563.523 3.193 50 40 KGGB C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1OC 409320672 BWBWTJOBKLCSJU-KSEXSDGBSA-N 540.310 3.101 50 40 KGGB CCOC(=O)C1=c2s/c(=C\c3ccccc3Br)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1Br 2604804 CRNOWSXJZRWGBK-LOHYDARVSA-N 587.293 3.426 50 40 KGGB CCOc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccccc3)N=C2CC(=O)OC)cc(OCC)c1OCC 20287384 OQOOEHHYOAKLHI-ULJHMMPZSA-N 524.574 3.357 50 40 KGGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(I)c(O)c(I)c1 98001285 HMMAFPDIDSWAAH-QPSGOUHRSA-N 583.551 3.135 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1ccc(Br)cc1Cl 408690420 VHHYDUYWHLCZLU-HOWZHXDLSA-N 538.609 3.050 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 408873139 NNBRLSMRGHNNCX-MFKUBSTISA-N 542.526 3.094 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C)c(Br)c2)c(OC)c1 408924545 PDPHSEMFFOVUII-ALUCDORFSA-N 545.390 3.096 50 40 KGGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1 409000715 FNYYZTSKLLUODP-LRULAXNGSA-N 591.427 3.256 50 40 KGGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 409261948 FPLGGRSGMVJCJD-LQKURTRISA-N 504.543 3.373 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409271828 NRSNZIIAYFSGDL-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409318890 YDEPXQBCDGGNDF-YADHBBJMSA-N 507.568 3.145 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1OC(C)=O 1529549370 XHIAPSAVNNDNDX-ALORDFFLSA-N 589.468 3.259 50 40 KGGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnn2-c2nonc2N)cc1 2223645 KSXCNNIPBURHLI-KKMKTNMSSA-N 500.441 3.471 50 40 KGGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 12533338 NWPIYOXJLDXJLO-LBPRGKRZSA-N 509.462 3.144 50 40 KGGB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NNC(=S)NC[C@H]2CCCO2)cc1 14360484 FOIFSHLZTUWQDA-HXUWFJFHSA-N 504.678 3.381 50 40 KGGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)c1ccccc1 162398861 IRADNYFKMWQVDG-QISDRKNHSA-N 689.816 3.157 50 40 KGGB CC(C)(COC(=O)c1cccnc1)[C@@H](OC(=O)c1cccnc1)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](OC(=O)c1cccnc1)C(C)(C)COC(=O)c1cccnc1 169292344 MEFAKOINNJLWFO-UWXQCODUSA-N 975.116 3.410 50 40 KGGB in-man COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 408871502 ZREOPIHVZBSYLW-NDZAJKAJSA-N 500.599 3.320 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccc(I)cc1 409026066 FETCMIVROAOJQR-MZJWZYIUSA-N 624.432 3.364 50 40 KGGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc2OC)cc1 409150978 FQLMAJBREWXMQJ-PBEVGHANSA-N 549.422 3.239 50 40 KGGB O=C(COc1ccccc1Cl)NNC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 102994534 RNIZHTXTWQRLST-UHFFFAOYSA-N 531.974 3.142 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408683997 NZIXSNMMPREPJC-KSXHKMMQSA-N 607.093 3.017 50 40 KGGB O=C(COc1cccc2cccnc12)N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 408752796 CIPXBMNOJCSPRN-CVKSISIWSA-N 506.496 3.440 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OC 408948740 DNJOKXVCZPNPEO-WHYXJLTFSA-N 566.611 3.161 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2ccc(F)cc2)cc1OC 409109483 FXESDVWSNCOJOZ-JFLMPSFJSA-N 531.562 3.206 50 40 KGGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)c1ccccc1 409352699 YAWRJWUNTMTKRO-SLEBQGDGSA-N 557.426 3.150 50 40 KGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)cc1 409382870 WTGRCIPXZWDXKW-WUFINQPMSA-N 609.591 3.165 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc2c(cc1Br)OCO2 1529545134 YGBDPTNWHKQUGW-OPZOHNAHSA-N 575.441 3.063 50 40 KGGB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 3201005 GVUYUMAYKHYNJD-VFCFBJKWSA-N 506.628 3.498 50 40 KGGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1ccc(Br)cc1Cl 408680858 HFUOTHGNQTVEFV-IDNXRVBGSA-N 507.562 3.155 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1)S(C)(=O)=O 408841118 JAASBRNKUGLGEP-OGLMXYFKSA-N 554.625 3.028 50 40 KGGB CCOC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)o1 408926066 WYIMDJHZBADNNJ-WYVORDNDSA-N 590.589 3.462 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccc(Cl)cc1 409162803 IBGPLGYYCNQIBB-KBKYJPHKSA-N 533.766 3.480 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(C)c1C 409164230 FGHAMMDQOLKLPU-IBBHUPRXSA-N 546.580 3.215 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)ccc1OCC(=O)NCc1ccccc1 409260419 QBLHBZODDDIHBR-KCSSXMTESA-N 516.598 3.280 50 40 KGGB COc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)c(O)c1 409390191 BXYQIUIOKATMNK-CNHKJKLMSA-N 538.079 3.080 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 100240273 XMMBPOHJZXKEMT-VUTHCHCSSA-N 581.651 3.484 50 40 KGGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccccc3O)C2=O)cc1 101007182 RFHKVAZAIQQEHL-HKWRFOASSA-N 527.624 3.402 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)c2)cc1 408680667 DOCBWMRNGQJZGD-WTGUMLROSA-N 533.364 3.383 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 408863393 MJTIBBHNJHOEJK-MWVBGNBESA-N 608.717 3.332 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1ccccc1Cl 409170557 WEXFYKANQIZGGU-LUOAPIJWSA-N 563.792 3.488 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)cc1Cl 409267229 UELYKTWIIJNAGG-YSURURNPSA-N 507.772 3.157 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC 20195182 CWHILSGVTOWSPE-FOKLQQMPSA-N 510.328 3.161 50 40 KGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)cc1 409024637 LOINPIBSYGWVGC-OGLMXYFKSA-N 538.626 3.191 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1cccc(C)c1C 409155141 CCMWQWIMNXSEGZ-IPPBACCNSA-N 577.476 3.473 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1c(C)cccc1C 409166778 FQVXCFGYOIOISK-OCSSWDANSA-N 502.571 3.486 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409259760 DXIBZOIVDGOSAI-RPPGKUMJSA-N 531.407 3.211 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409322760 KVLPCMNNCWFLLM-VQTJNVASSA-N 514.401 3.236 50 40 KGGB COc1cc(/C=C/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2sc(NNC(C)=O)nc2C)ccc1O 6018112 BKNQIIJRZQTGHW-JDGYFEBKSA-N 515.617 3.333 50 40 KGGB COc1cccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)c1 8406984 XINROYIUJOSHEG-QGMBQPNBSA-N 522.080 3.374 50 40 KGGB O=C(N/N=C/c1ccc(O)c(I)c1)c1ccc(I)c(O)c1 15945156 SYMCHQUMQJSGCO-REZTVBANSA-N 508.053 3.071 50 40 KGGB O=C(NC[C@H]1CCCO1)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1 18267853 BDONKWODKKTWLD-HMDCTGQHSA-N 514.214 3.022 50 40 KGGB O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1 408670917 YMXOUNKUJDXLBY-CFDLBASYSA-N 520.372 3.041 50 40 KGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408862760 LVERMRYJNLLARC-YEFXCMPDSA-N 558.660 3.462 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409024902 IWMBDHLBDPKEGJ-WGOQTCKBSA-N 542.570 3.356 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 409249111 IMNPZXKGGRZPAZ-RWPZCVJISA-N 504.543 3.427 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OC 1529547820 PICJXHLDAFRRMB-HIWKEIFESA-N 522.627 3.309 50 40 KGGB O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccc(Br)cc1 1786665 PVWAWLWFJXTXGT-YVLHZVERSA-N 534.413 3.230 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 6073814 XILHLSHWUOAQEQ-MTDXEUNCSA-N 538.626 3.046 50 40 KGGB O=C(N/N=C1/C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc21)c1ccc(Cl)cc1 100751026 RTBOJGDLHOQVOG-IXBGWOHFSA-N 501.974 3.059 50 40 KGGB Nc1ccc(S(=O)(=O)c2ccc(NCN[C@H](CSSC[C@@H](NCNc3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)C(=O)O)C(=O)O)cc2)cc1 150471845 MIHAGYLZSGAJKK-LOYHVIPDSA-N 760.942 3.423 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(C)c(Cl)c2)cc1 408831852 WYXRFNLMFRHPKA-CCVNUDIWSA-N 529.018 3.167 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 408837328 CLDXCQVVESDJPT-LQKURTRISA-N 542.589 3.158 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(c3ccc(OC)cc3)S(=O)(=O)c3ccc(OC)c(OC)c3)o2)cc1 408875049 BXMVZYGUVJPQBN-ZSNJKBEMSA-N 721.745 3.083 50 40 KGGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc(I)c1OCC(N)=O 408906401 JCCDEYSAVVXBJH-LGJNPRDNSA-N 553.397 3.344 50 40 KGGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)OCc1ccccc1 408988082 GVCVOUGZOMWTIA-HDNNTFNPSA-N 501.499 3.356 50 40 KGGB O=C(O)c1ccc(/C=N\NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)N/N=C\c4ccc(C(=O)O)cc4)cc3)cc2)cc1 408722504 UVMFGUFAWOHQCQ-KUUUIRGPSA-N 598.593 3.444 50 40 KGGB C=CCc1cc(/C=N\NC(=O)COc2ccccc2I)cc(OC)c1OCC(=O)O 408842635 BINOFQKGCMAHHU-KSEXSDGBSA-N 524.311 3.021 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2Cl)cc1 409255407 HUJLAVBJHXWUPL-RWPZCVJISA-N 502.999 3.301 50 40 KGGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)cc1OC 3080112 PAXRVBUTAZHPHT-BRJLIKDPSA-N 533.322 3.449 50 40 KGGB COc1c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(C)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 3112014 MCLFYALEWXAFIK-BKHCZYBLSA-N 504.459 3.348 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccccc3C)[C@@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770450 XFZWFLPXBAKKSZ-FPOVZHCZSA-N 504.568 3.152 50 40 KGGB COc1ccccc1NCC(=O)N/N=C\c1cc(Br)cc(I)c1O 67197080 PWDKMYHXHPNGDP-ZBKNUEDVSA-N 504.122 3.330 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)c(Cl)c2)cc1 409269532 KAVYOQKXLDFOBB-IPPBACCNSA-N 512.925 3.272 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1O 408711815 MASRVKYBBMVOPU-QGMBQPNBSA-N 522.080 3.374 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1CNc1ccccc1 2197631 AXVNVDRVIWKXAX-WKULSOCRSA-N 509.530 3.188 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3ccccc3F)c2)c1CSC1=NCCS1 2588288 YQEJKFNNKMNZBC-LUOAPIJWSA-N 553.605 3.051 50 40 KGGB COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc(OC)c1OC 104580328 XDDSKXUHBPCJHS-ZVHZXABRSA-N 540.436 3.026 50 40 KGGB O=C(COC(=O)CCC(=O)Nc1cccc(Cl)c1Cl)NNC(=O)c1ccc(Br)cc1 138699410 WPPNNHOIXSCXBD-UHFFFAOYSA-N 517.163 3.479 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1cc(C(F)(F)F)ccc1Cl 408687560 PBIAZZDGVJZZOP-HOWZHXDLSA-N 527.710 3.306 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408687939 PRBPKVHYWOBPJR-LVEBTZEWSA-N 550.631 3.052 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408691124 YIFSSJWQADIQCY-YRXWBPOGSA-N 597.249 3.181 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccc(I)cc1)S(C)(=O)=O 408778452 URFHCCUACLQGEZ-CIAFOILYSA-N 535.791 3.260 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)c(OC)c1 408925960 VNHHMYORIBMPOO-ORMFSKTFSA-N 500.939 3.069 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)c(=O)c1C#N 409002849 BOEWVRPIZBFKEI-BCHBDCPOSA-N 541.358 3.134 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 409004210 WYNOQOJMICLOFW-WJTLWOGJSA-N 572.416 3.102 50 40 KGGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccccc1C(F)(F)F 409170712 XCZWSPVJPRFTCP-IURWMYGYSA-N 542.470 3.218 50 40 KGGB COc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)c(OC)c1 409383777 GMJGHOFTRPMDJJ-UFWORHAWSA-N 552.106 3.383 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OC 1529548798 OAJOKHMAFFWFSZ-BOGNPUBTSA-N 591.484 3.351 50 40 KGGB C/C(=N/NC(=O)CSc1nnc(SCC(=O)N/N=C(/C)c2ccccc2O)s1)c1ccccc1O 100885722 FGYSPZLBKOZETA-GACBQCINSA-N 530.657 3.214 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 103898584 UXWIRHDMAISZOW-OCSSWDANSA-N 591.602 3.229 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OCC 408710569 JLCAJQXWRBNBNY-WYMPLXKRSA-N 556.353 3.413 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2cc(Cl)ccc2OC)cc1OC 408768903 LLXOIRUFSVHYOP-UHFFFAOYSA-N 559.000 3.034 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cc(Cl)ccc2C)cc1 408860651 BADOJJFAJQJVLU-CCVNUDIWSA-N 529.018 3.167 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OC 408947625 OAJOKHMAFFWFSZ-QFIPXVFZSA-N 591.484 3.351 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1Br 408947986 OKHMVSSVGDLLNR-OAQYLSRUSA-N 531.432 3.334 50 40 KGGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1O 408954369 ZCCGJAWZMDYPDI-DEOSSOPVSA-N 538.626 3.014 50 40 KGGB COC(=O)COc1cc(Br)c(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC 409022210 JMVYDNBCYZTCMT-GATIEOLUSA-N 502.321 3.087 50 40 KGGB COc1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(I)c1O 409117005 MUEZHELSTSLXKY-UWVJOHFNSA-N 505.106 3.297 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409248888 FTMRNVDXAPLYIJ-YEEYNWEUSA-N 503.397 3.448 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409318512 YLRFJDZXVKQAKE-NHCUHLMSSA-N 507.568 3.200 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O 2085239 RRWGJRQCBHGLCK-MFKUBSTISA-N 512.544 3.099 50 40 KGGB CC(C)(C)C(=O)NNC(=O)C1CCN(S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)CC1 40152241 CMMMVIXLPTXLIK-UHFFFAOYSA-N 515.257 3.350 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c(OC)c1 408923133 JNQPOVNKNPOKTG-NBVBKBLUSA-N 581.807 3.147 50 40 KGGB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 102994985 GTSKSVZKFVFOFM-UHFFFAOYSA-N 592.721 3.197 50 40 KGGB O=C(C[C@@H]1SC(=O)NC1=O)NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 245228766 FEMXHYOTOSALFU-AKLPQNOWSA-N 579.125 3.105 50 40 KGGB COc1cc(C(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OC)c2)ccc1I 408747979 WNDGXVOBZHDXBO-ODCIPOBUSA-N 610.142 3.140 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c(OC)c1 408925062 SRMRRLDROSNGGF-XBLJSKHHSA-N 590.589 3.462 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 409249906 JNPZJJIKVOJHFH-IBBHUPRXSA-N 528.487 3.498 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409265166 SQMJOYLAPFPQIQ-IPPBACCNSA-N 508.497 3.104 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1 58881784 UIEIBBVVFBHDIC-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c1 59960376 QUOPMMOTQHSHQC-CTOFZRSPSA-N 504.543 3.049 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1O 408760812 GEVQBNWQZZFEDM-DOUQRPAJSA-N 559.426 3.157 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2cc(Cl)ccc2OC)cc1OC 408782922 ITYITAIRMYQXSM-MZJWZYIUSA-N 564.016 3.426 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(F)cc2)cc1 408831637 RKSAVGBBUOEVAH-OGLMXYFKSA-N 555.588 3.225 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1C 408873124 NHHXFNHTHVVSAR-JVWAILMASA-N 514.648 3.047 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)c(OC)c1 408947144 ANKNXYMZRPMEFR-BGXXNGLISA-N 593.549 3.289 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC#N)c(OCC)c2)c(OC)c1 408957704 VMTVZHFHDWVLMY-GEPNNGOASA-N 691.479 3.321 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccccc1 19952242 BVWDCQJADADSQL-AFUMVMLFSA-N 501.948 3.392 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1Cl 28213255 NXWDLSDMEXOCJN-CVKSISIWSA-N 521.039 3.084 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 58925315 AGCURHXCSHGXLA-OGLMXYFKSA-N 522.583 3.260 50 40 KGGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 97960478 UXWBRXMWBARTEM-VXLYETTFSA-N 533.338 3.421 50 40 KGGB Cc1cc(/C=N\NC(=O)c2ccccc2O)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 102981125 FUQPOHKZMSUGHO-CEUNXORHSA-N 551.669 3.185 50 40 KGGB CCOc1c(I)cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1OC 408753566 NMLRYVBLTOHGLL-AFEQLLIESA-N 573.453 3.460 50 40 KGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1)c1ccccc1 409004233 XAPRIVRNFBHNER-FQIOEHTJSA-N 522.352 3.249 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccc(OC)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409320747 DYVWKDUXQJXAGC-NHCUHLMSSA-N 544.427 3.245 50 40 KGGB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 409382448 MXSPNPAMSBHJSC-FGZHOGPDSA-N 538.940 3.254 50 40 KGGB CCOc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CSc2ccccc2)cc1OC 9356701 BBBOBLMGVPQPEC-AFUMVMLFSA-N 508.564 3.086 50 40 KGGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C 97980001 NVDVVNNSHDSRJH-RCCKNPSSSA-N 533.050 3.152 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 211033407 YNTFLDFIAGJJRU-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408747471 OJRSCQNWVYDKND-LSFURLLWSA-N 624.169 3.229 50 40 KGGB O=C(O)COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1I 408750912 UAQSPVFSJMRTTO-QFEZKATASA-N 530.318 3.141 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c2ccccc2OC)cc1 409026000 DBZHITDZMKUVQX-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB COc1ccc(OC)c(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409126124 DRBALCYGUZDVRF-UHFFFAOYSA-N 633.477 3.151 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409174546 NJBSCHSOLQJHBM-NHHTYEGYSA-N 673.302 3.215 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1 409319357 FACMFYMKTJZNRM-PMACEKPBSA-N 513.959 3.236 50 40 KGGB C#CCOc1c(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 1529549470 ZWBYNMDJHZVNSM-MZSCTZEFSA-N 615.506 3.355 50 40 KGGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 3113065 OWQJXEXUIVXEEO-KPSZGOFPSA-N 548.100 3.271 50 40 KGGB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O[C@@H](CCl)CNCc1ccccc1)c1ccccc1 4285716 ZUAJUCVCIVWSBY-KMDXXIMOSA-N 539.968 3.463 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 58925220 SXCCYQFQLFXCSD-AFUMVMLFSA-N 500.508 3.397 50 40 KGGB COc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC)c(Br)c2)C=3C#N)cc1Br 100262256 VFTUBUPUWIGHML-YBETYGMLSA-N 600.292 3.403 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 103864390 CRHOHSKPTICBSI-KSEXSDGBSA-N 556.211 3.481 50 40 KGGB COc1ccc(OC)c(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 408688918 XFHUNEAPRPTCQR-KPIIRZJKSA-N 515.360 3.466 50 40 KGGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc(Br)cc(Br)c1O 408730936 WMVPREUNZBMYRV-IFRROFPPSA-N 514.565 3.374 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(O)c(OC)c1 408940891 DEYKYOUVTIXLRS-OAQYLSRUSA-N 577.457 3.048 50 40 KGGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408970853 LGWCFJFMSZBCNB-OUMHCNLISA-N 578.460 3.378 50 40 KGGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1 408978974 KQDOZPQLDBXMQO-PKOLSWDWSA-N 584.367 3.465 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3770440 LWOASFAXMQMFQX-IEBWSBKVSA-N 510.522 3.422 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)c1 20210057 YEEWUVVOIGOIKB-MFKUBSTISA-N 512.544 3.099 50 40 KGGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cccc2C)c(OCC)c1 408603760 GYSWZIXECWTLME-UVHMKAGCSA-N 531.407 3.234 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408678739 BWIFRPKWKZELNZ-IPIVWIDTSA-N 584.305 3.460 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1 408691344 ZLMCYGYHBPCKPL-JXYJOFSCSA-N 532.336 3.360 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 408862902 NPLVDRQTZDPLAQ-HUHXJTTESA-N 572.865 3.348 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409271771 MXMDRXDPNOLMLW-KBVAKVRCSA-N 532.597 3.495 50 40 KGGB CC(C)[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100553118 XXXGUKWKJAIYRU-UYKVLPSVSA-N 541.236 3.215 50 40 KGGB O=C(N/N=C1\C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21)c1ccc(F)cc1 101090458 YAIKEVIXMKMQOU-HVRZEQJGSA-N 564.415 3.307 50 40 KGGB COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)NNC(=O)c4ccccc4Cl)CC3=O)cc2)cc1 408653631 JDJZATBMYIJVJR-KRWDZBQOSA-N 537.956 3.498 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 408688585 RAISUOUPIHVDOK-HGDKLDNCSA-N 596.194 3.355 50 40 KGGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1 408841409 IWFOVRFVPBJFEI-AJBULDERSA-N 578.691 3.393 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)N1CCCC1 409257883 RGBLUYFGUCVLRG-LGJNPRDNSA-N 507.374 3.482 50 40 KGGB O=C(O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br 409373274 PPOPIVJKRHIYAP-ZBKNUEDVSA-N 515.114 3.276 50 40 KGGB O=C(COCCOCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)Oc1ccc([N+](=O)[O-])c2cccnc12 725383057 CCPXNNBSWDIFCK-UHFFFAOYSA-N 522.426 3.144 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1 408644694 HZVOCIHUBRJRQV-UHFFFAOYSA-N 517.966 3.266 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408687998 VVSLOOCYLOAGMD-JNYDFHNISA-N 570.278 3.071 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)cc1Cl 408866056 DGKJQGQPCDZOGV-SSDVNMTOSA-N 501.834 3.393 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c(I)c1 408939679 BFZMFLJIDSGWFR-QFIPXVFZSA-N 608.458 3.185 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 408940373 CEINKKZUFSZWDM-AREMUKBSSA-N 580.667 3.470 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 409155194 CNJXDNWQNYDWOW-LNNIYNOTSA-N 575.460 3.146 50 40 KGGB COC(=O)c1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1 409373743 YRXDOVLMQFETOW-YUMHPJSZSA-N 509.584 3.131 50 40 KGGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2)cc1CSc1nnc(C)s1 1897986 KMCSFWUWMBGHOH-LUOAPIJWSA-N 577.656 3.069 50 40 KGGB O=C(CN1CCOCC1)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1 408734847 FYOIBFHRPRAAFL-FSJBWODESA-N 605.214 3.257 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408778196 QSEKJFCQJPRICY-WPWMEQJKSA-N 510.616 3.424 50 40 KGGB COc1cccc(-c2csc(N3CCN(CC(=O)NNC(=O)c4ccc(Br)cc4)CC3)n2)c1 38153581 UYCZYCSJYKJHCU-UHFFFAOYSA-N 530.448 3.164 50 40 KGGB aggregator Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccccc2F)cc1 100138807 JANNMFIFBLCYRQ-OGLMXYFKSA-N 555.588 3.225 50 40 KGGB Cc1cc(N2C(=O)NC(=O)/C(=C\NNC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1Br 408531779 LOPLATROACFNTD-GZTJUZNOSA-N 501.381 3.061 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc(Br)c1OC 408859770 QIVQVRJTHSPTPB-UFFVCSGVSA-N 504.790 3.036 50 40 KGGB CC(C)NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 408872488 FHSLSQXPQOEOQS-WGARJPEWSA-N 517.007 3.299 50 40 KGGB N#Cc1ccc(C(=O)N/N=C/c2cc(I)cc(Br)c2OCC(=O)O)c(F)c1 408968755 YQYSYUSJWWOOBZ-QPJQQBGISA-N 546.090 3.292 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC[C@H]2C)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409310629 BPZWVNJTSZLWFN-GBLZOACLSA-N 536.448 3.330 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409375771 PBNNEKAGITUHHQ-OIDHKYIRSA-N 861.766 3.129 50 40 KGGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 102939122 ZKYUNYUPSUTWIG-OVVQPSECSA-N 551.629 3.238 50 40 KGGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(I)c1O)C(O)(c1ccccc1)c1ccccc1 408911957 PDELYSKWBFCQMU-YDZHTSKRSA-N 517.279 3.291 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1 409153676 DSDDTUOTYCHBRL-FJEPWZHXSA-N 538.988 3.450 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 409257439 ORRHPSQJIWJGTJ-IBBHUPRXSA-N 528.487 3.498 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409379775 ZSAPJJZLCYHTJU-XZWHSSHBSA-N 669.643 3.182 50 40 KGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 20212634 DWCVARCRWMYBNB-DHRITJCHSA-N 510.012 3.285 50 40 KGGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNS(=O)(=O)c1ccccc1 101002263 JTYCVVQITCGQNX-VBKFSLOCSA-N 526.459 3.050 50 40 KGGB COc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1I 150350605 QCJWFFHSQWZUEW-AMVVHIIESA-N 647.422 3.425 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc(OC)c1OC 408860965 JSOCBAFGEKCYKY-CVKSISIWSA-N 501.536 3.197 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(OCC)c1 408946982 NFTLWCPZXMNAHD-VWLOTQADSA-N 619.096 3.176 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1 409163976 AOEZXBKWGJPABZ-UXHLAJHPSA-N 502.571 3.220 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccccc1Cl 409265561 IWAHNHCUHGVEEM-RWPZCVJISA-N 518.998 3.138 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N2CCCCC2)o1 1529548067 WRWPLKKOIWPKRT-SJUCLPJRSA-N 525.631 3.155 50 40 KGGB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408673606 UFGPMLPYIKIIFO-KSWRQPAISA-N 514.214 3.022 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 408859292 SBLYKKCHNVXYQH-WUQZZNSYSA-N 585.082 3.360 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1)NC[C@@H]1CCCO1 408874718 FSDXGMORYSQLHJ-KZYYCBDDSA-N 555.679 3.447 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC(=O)N1CCCC1 409153865 NUZUVLIRYIRACR-MZJWZYIUSA-N 592.434 3.397 50 40 KGGB CN(C)N1C(N)=C(C#N)[C@]2(C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)C2=C1CCCC2=O 12413945 JYNMFRWIGDOXGQ-MHZLTWQESA-N 516.989 3.056 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408688176 QAMUTKHMIFIBPR-XGUBFFRZSA-N 609.109 3.415 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 408809372 NYFGOOPKXFVCLE-TWKHWXDSSA-N 610.714 3.150 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 408863395 MJTIBBHNJHOEJK-NIVXUIPCSA-N 608.717 3.332 50 40 KGGB CCOC(=O)Cn1c(C)c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 408944887 JVRFLMXTVJVZAG-MUUNZHRXSA-N 591.690 3.398 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 3311266 NXRIBNPENVRVLZ-UHFFFAOYSA-N 585.491 3.184 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CSC2=NCCS2)ccc1OC(=O)c1ccc(F)cc1 97969479 ZNSFYSCRMDHVGU-XKJRVUDJSA-N 611.641 3.089 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 100344219 KJPQUZJRQLSLCU-CVKSISIWSA-N 540.554 3.029 50 40 KGGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1cccc2ccccc12 408534874 MTLYDHSPHDZNHV-AMAFCZHPSA-N 526.290 3.059 50 40 KGGB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c1 408673607 UFGPMLPYIKIIFO-SIRPWMCASA-N 514.214 3.022 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)c(OC)c1 408921958 CUYDBQCEWZHOLK-UNPDLACLSA-N 602.600 3.253 50 40 KGGB COc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2OCC(=O)O)cc1 1437685 XWMUMPNACHZIKB-ODCIPOBUSA-N 516.142 3.213 50 40 KGGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 12419255 HTWMZXSYXWGCLZ-FBCYGCLPSA-N 503.103 3.363 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 16268393 NXWQPORQJBFERD-WGARJPEWSA-N 516.023 3.477 50 40 KGGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccncc1 59444633 MPUPBGLKIAKROE-PCLIKHOPSA-N 501.406 3.228 50 40 KGGB Cc1ccc(C)c(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 100560985 CVSLOFTYQTXNNZ-IWUPOPMTSA-N 541.236 3.197 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c(C)cc1Br 408680433 GGANKECAGDQFAO-OZJSDOOGSA-N 501.171 3.119 50 40 KGGB O=C(Cc1nnc(NC(=O)c2ccccc2I)s1)NNC(=O)c1ccccc1I 408731647 OIJUTQXRFMKTNE-UHFFFAOYSA-N 633.209 3.003 50 40 KGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 408864218 XKXVQHNWEXLVIA-QNBNLKTOSA-N 531.034 3.470 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408956281 QKSAZDDZKRHDBB-JCJXWKAISA-N 677.505 3.128 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1 409168495 MYDQABMBSTYEKF-UXHLAJHPSA-N 502.571 3.220 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1c(C)[nH]c2ccccc12 1529548048 WIHFNGRPRINKCP-XGVLDKRDSA-N 505.600 3.361 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 2189784 IAMAPAHSVXTVBE-RBUKOAKNSA-N 545.371 3.467 50 40 KGGB CC(C)C[C@@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@H](CCCCN)C(=O)Nc1ccc(N(CCCl)CCCl)cc1 5390544 KDPPJJVVEQTIIW-WXFUMESZSA-N 573.610 3.037 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)c1 59884266 CJTDGLFARQXLNR-JFLMPSFJSA-N 546.001 3.246 50 40 KGGB C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)[C@@H]1OC=CS1 61868571 UCAXXJZWJQPDLQ-OCBJTEKFSA-N 520.615 3.386 50 40 KGGB COc1cccc(/C=N/NC(=O)CSc2nnc(SCC(=O)N/N=C/c3cccc(OC)c3OC)s2)c1OC 97968533 PLNURTJWRTYCRL-KOZSXFMUSA-N 590.709 3.057 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4C#N)C(=O)[C@@H]23)OCCO1 112256090 OWXYVRZKKBTFGW-SEPVPZSASA-N 546.583 3.364 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 139104447 YOSKLPSTRLMPLP-UHFFFAOYSA-N 503.939 3.020 50 40 KGGB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)c1 408676767 ACYCLLOIXYHJKU-BQAIHONLSA-N 517.365 3.461 50 40 KGGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408870291 SMNIRBWGLWAURW-QNKGDIEWSA-N 601.685 3.227 50 40 KGGB COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC(=O)O 408978783 KCHHLJXOHPCBTQ-YABPMDJWSA-N 525.583 3.027 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409110610 XBCMOSQUTVRVMU-OGLMXYFKSA-N 557.625 3.465 50 40 KGGB Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cccc1[N+](=O)[O-] 409165207 UUUMPLLHIOSGPV-HJQVIKLGSA-N 510.419 3.248 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)c1 409183164 AOTUKQCKUXIZMU-KCSSXMTESA-N 606.657 3.338 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 1529545995 CGZMQIAFRJPWHC-CYUILNSLSA-N 508.600 3.136 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)c1C#N 105984466 DGUNRZZVSPCFCU-KIBLKLHPSA-N 528.319 3.256 50 40 KGGB COc1cc(Br)c(O)c(/C=N/NC(=O)CNc2ccc(I)cc2)c1 408586949 DEUYKJLGYZPTCW-DNTJNYDQSA-N 504.122 3.330 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)o1)C(=O)Nc1cc(Cl)cc(Cl)c1 408780899 MTUFHYJBMQYJJO-BCHBDCPOSA-N 520.304 3.069 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1OC 408799094 GUHVAYQLYPBCOL-UZWMFBFFSA-N 654.767 3.467 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)cc1OC 408829870 QXFRZBNYPKAPJJ-RWPZCVJISA-N 575.043 3.291 50 40 KGGB Cc1c(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408839816 CNLFPJUOIWBHMP-LQKURTRISA-N 583.026 3.392 50 40 KGGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409316740 QVTUNDFJBHXXFO-MSOLQXFVSA-N 512.415 3.485 50 40 KGGB C[C@H](OCC(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000184 YVCZDCCLMQIGIV-GVDBMIGSSA-N 636.526 3.379 50 40 KGGB CCOC(=O)c1ccc(C(=O)N/N=C/c2sc(=O)n(Cc3cccc(C(=O)OC)c3)c2Cl)cc1 2235887 PFEZLTKCZGATAR-BRJLIKDPSA-N 501.948 3.339 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCC(=O)O 9204607 YVVKYHQFYMZMOD-ZVBGSRNCSA-N 500.143 3.376 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc(Br)c1O 408862118 FMLZZNXELOMIHD-FSJBWODESA-N 506.378 3.233 50 40 KGGB Cc1c(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1 408893147 KTYFHIKCVGWCKW-BPRIINSWSA-N 627.148 3.048 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(F)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409140285 DHDKYALGFCULQQ-JFLMPSFJSA-N 531.562 3.206 50 40 KGGB CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)C(C#N)=C1N(C)c2ccccc2N1C 3374688 FRQCXZJIUDMLMJ-LJQANCHMSA-N 549.074 3.174 50 40 KGGB NNC(=O)CCn1c2ccc(I)cc2c2cc(I)ccc21 9375589 GQYQJKXKUMFOPI-UHFFFAOYSA-N 505.097 3.384 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1OCC 20214120 FNERGRFWOOVMHF-OEAKJJBVSA-N 510.410 3.329 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC 97959766 VVPTYIKBUVPOHS-YSURURNPSA-N 525.274 3.016 50 40 KGGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccco1 408608355 HFWIYSFKMVDHGU-RPPGKUMJSA-N 513.348 3.135 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc(C)c1Br 408683983 MSZOGVWURHQUKN-CYAUESBNSA-N 501.171 3.119 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)ccc2OC)c(OC)c1 408921547 AQZWUFNDNJKRDZ-AIZXLIHESA-N 530.965 3.077 50 40 KGGB C#CCOc1c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 408954869 ZWBYNMDJHZVNSM-XMMPIXPASA-N 615.506 3.355 50 40 KGGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cc(Br)c(O)c(Br)c1 408961871 OZDZVQUQIQFNHP-OPEKNORGSA-N 564.234 3.495 50 40 KGGB O=C(CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 98050458 QWBHGFZENYETJL-UBXVHVAWSA-N 547.627 3.234 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C 408609139 JMANPAKBUBPVTC-KIBLKLHPSA-N 539.814 3.412 50 40 KGGB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)NNC(=O)c1ccc(Br)cc1 408669269 OBNFHJXMYKFZGR-LBPRGKRZSA-N 529.174 3.113 50 40 KGGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(\C)c2ccc(OC(C)=O)cc2)cc1 4742259 IRIWKSMMPYFJLH-LNHPOQELSA-N 526.615 3.428 50 40 KGGB O=C(CNc1ccc(I)cc1)N/N=C/c1ccccc1I 14134307 CDKUNZOTRINAQY-DJKKODMXSA-N 505.097 3.458 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC 20211533 CYSAWOJFWHKXJI-LSHDLFTRSA-N 504.348 3.064 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(C)c3C)S(C)(=O)=O)cc2)cc1 59887804 SEXVISJMDKBERP-LQKURTRISA-N 538.626 3.246 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(Br)cc2)c(I)c1 103864655 WLOPMKPYXGHKJZ-FMCGGJTJSA-N 558.214 3.415 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Br)c3)S(C)(=O)=O)cc2)cc1 103901580 IVIINJIATPCZRQ-JFLMPSFJSA-N 589.468 3.392 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408855223 ANGMHIUDMYCPAU-DFVFNMDZSA-N 552.653 3.258 50 40 KGGB COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 409041452 ADMXOTZYHCLRGN-JLHYYAGUSA-N 521.482 3.314 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409155688 MAUVEUFFDWQXOE-SQTKOIFASA-N 648.376 3.081 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408687487 OWEIACUPDXEIMO-WWEGZTGJSA-N 621.120 3.406 50 40 KGGB C/C(=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1cccc(Br)c1 408775395 SNAGJIVYHPKHFU-JNPOWPEBSA-N 605.536 3.053 50 40 KGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)c(O)c(OC)c1)c1ccccc1 408979745 OHZCCMUADLUFQY-LTNVFZTJSA-N 511.316 3.333 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 408981629 WANGMVXHXPTJBI-JVWAILMASA-N 527.599 3.149 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409150233 AWPUJVLEELHPOD-OBPDLJBASA-N 586.814 3.336 50 40 KGGB COc1ccccc1C(=O)N/N=C/c1cc(I)c(O)c(I)c1 409219788 USKBXJCPDPXKBB-QGMBQPNBSA-N 522.080 3.374 50 40 KGGB O=C(O)CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1 409333102 CAQNRDLFRRVZKA-RQFMOZSRSA-N 621.453 3.185 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OC(C)=O)cc1Br 1529548078 XBOSXUDMLSHQFJ-RLONDSQRSA-N 619.494 3.268 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OC 1529548451 GRFAFDCDWFIFGH-GPBZHFFBSA-N 638.484 3.193 50 40 KGGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCc1ccco1 2415779 DPAJYKPSLQKGRE-CJLVFECKSA-N 543.605 3.377 50 40 KGGB CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(Br)c1OCC 16688359 JLNIAWGERSHFIK-OPEKNORGSA-N 505.369 3.497 50 40 KGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 58881949 GNFSRWFAYLEIPF-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc(Br)cc(Br)c1O 409019189 IKLBILXLUWIURL-UFFVCSGVSA-N 528.157 3.426 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409257181 RNLPSEOZXPOHPP-KBVAKVRCSA-N 532.597 3.495 50 40 KGGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1 101002255 CZKPHRXWJJVQQV-WJDWOHSUSA-N 535.401 3.410 50 40 KGGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(Br)cc1 103864874 GCDXVIAUUORHMD-MSXFZWOLSA-N 588.240 3.424 50 40 KGGB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1CCSS1 247956784 NTUJKFCBMVRCFR-CHQSNSNVSA-N 634.931 3.489 50 40 KGGB in-vitro CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 1529548310 CEINKKZUFSZWDM-QLPUOYLQSA-N 580.667 3.470 50 40 KGGB COc1cccc([C@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC 2223673 PZHGVRVERWNHKI-QFIPXVFZSA-N 508.600 3.292 50 40 KGGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3cc(Br)cc(S(=O)(=O)N4CCC(C)CC4)c3)ccc12 3335261 NXYQJBXNXDFKFU-UHFFFAOYSA-N 592.468 3.125 50 40 KGGB COc1cc(Br)c(Br)c(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1O 9905842 PEVRVDKXEZXVNS-FBCYGCLPSA-N 503.103 3.363 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OC 408939621 BBIXBOPXJVJZGZ-JOCHJYFZSA-N 561.458 3.343 50 40 KGGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1cccc(C(F)(F)F)c1 409165229 VANOUIIYMNRIDZ-IURWMYGYSA-N 542.470 3.218 50 40 KGGB O=C(NN1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccc([N+](=O)[O-])cc1 9591182 HQSIDDBZPPZALP-CRAIPNDOSA-N 508.314 3.165 50 40 KGGB CC(=O)OC[C@@H]1O[C@H](N2C(S)=C(C#N)[C@H](c3ccco3)C(C(C)=O)=C2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 82195524 AAFMDQBCBDIIJN-DPJDGXTNSA-N 652.678 3.427 50 40 KGGB CC(C)[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100553116 XXXGUKWKJAIYRU-DBPPRATBSA-N 541.236 3.215 50 40 KGGB CN1CCN(CN2C(=O)/C(=N\NC(=O)COc3cccc4ccccc34)c3cc(Br)ccc32)CC1 102647024 IKGAIQRODAMVML-GNVQSUKOSA-N 536.430 3.053 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408683180 HOJSAEVKGQMRJR-RRBVXWDCSA-N 576.669 3.297 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408690085 TZCAXRRDBLEQFL-VKXKWRQZSA-N 578.257 3.488 50 40 KGGB N#CCOc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 408854422 FNBFAMDBDRGCQZ-VQXFCIMOSA-N 525.812 3.308 50 40 KGGB CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 409003561 SQQAQMRHYRXQSJ-UFVGRYDLSA-N 615.039 3.067 50 40 KGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 409025022 KEZCMACDAQBJGR-WPWMEQJKSA-N 508.600 3.183 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1 409252926 FLQWYNBRWOXUHW-OKCVXOCRSA-N 518.570 3.105 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409388788 XATLWBWFKBUNES-NHCUHLMSSA-N 575.357 3.299 50 40 KGGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1cc(I)ccc1O 32929291 HJOHEJXHRCIBSD-WGARJPEWSA-N 513.335 3.395 50 40 KGGB COc1cc(OC)c(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2cc(Br)c(OC)cc2OC)C=3C#N)cc1Br 33358378 JYSRXHUOJRDNDV-RRAPWRIQSA-N 660.344 3.421 50 40 KGGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OC2CSC2)c1 100619847 GHZGAKUTRIUELH-AFUMVMLFSA-N 526.596 3.435 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c(=O)c1C#N 105984471 QCHWIMSWEILEBI-NSKAYECMSA-N 527.331 3.046 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1C 408678688 FXZOFRSKDIZVGS-QHQVIKIASA-N 621.120 3.326 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408678736 BWIFRPKWKZELNZ-HCZWYIOHSA-N 584.305 3.460 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1C 408688713 WZCKQNLCMSLBGH-QPOISQFYSA-N 501.171 3.119 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1 409157980 QUROXJXLOPAGSG-KQCGQVILSA-N 551.825 3.174 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1OC 409263004 LBDUNGREGUGOJZ-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC(=O)[C@H]2C(=O)OC)cc1 409318515 YLRFJDZXVKQAKE-SFTDATJTSA-N 507.568 3.200 50 40 KGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)cc(I)c2O)c1 409367463 AKOPVZKJEWDPQM-UFWORHAWSA-N 502.106 3.482 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 100351870 BAOKIZCYVKWCTD-UCMJSZAQSA-N 604.685 3.367 50 40 KGGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 102992906 FCUIVDAIRMZAMR-UHFFFAOYSA-N 569.599 3.378 50 40 KGGB O=C(COc1ccccc1)N/N=C/c1cc(I)cc(I)c1O 408528152 SPPFZFKWAWXJOA-QGMBQPNBSA-N 522.080 3.131 50 40 KGGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1OC 1087485 ISEIFRXUHRPLHY-NRFANRHFSA-N 503.515 3.143 50 40 KGGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 19952967 NNHTVSSIOOBFRU-UHFFFAOYSA-N 502.474 3.373 50 40 KGGB COc1ccc(CC(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1OC 97961112 NULWJYIEDUPIQR-AWQFTUOYSA-N 566.133 3.311 50 40 KGGB O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)NNC(=O)c1ccccc1Br 103140730 SUVDBOLLADVEBD-UHFFFAOYSA-N 524.780 3.051 50 40 KGGB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1 105309321 JKKVRBSVQJIROT-UHFFFAOYSA-N 528.587 3.382 50 40 KGGB N#CCCCN1C(=O)C(=NNC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 254352505 UHJOAVOKNDLFPT-GSFTXWCUSA-N 521.533 3.357 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408690249 UNVNBSSGQJFXSK-OOLZNYFQSA-N 596.194 3.355 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409322371 JRGFTUHGHQSPHH-FCHUYYIVSA-N 574.453 3.254 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1O 16688774 KVOQIKUSUZSPKT-JVWAILMASA-N 527.599 3.462 50 40 KGGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)CC4(C)OCCO4)(c4ccccc43)[C@H]2C1=O 112256116 NBBPHABLRQMSPB-OURHBKOOSA-N 596.596 3.409 50 40 KGGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1OC 408852516 GVQXOHOBDPVENK-HKWRFOASSA-N 516.554 3.126 50 40 KGGB CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1OC 408923750 LPFCEQJEHRFEHP-QWMPUUBNSA-N 605.442 3.195 50 40 KGGB COc1nc(Oc2cccc(/C=N/NC(=O)Cn3nnc(-c4ccccc4Cl)n3)c2)nc(N2CCCCC2)n1 408972788 FPKCMHDQVVJUOX-JFLMPSFJSA-N 548.995 3.120 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1O 408863225 QHNBSXAMODUDFI-ZMOGYAJESA-N 563.386 3.417 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC 408874221 AHBXOSKBUCBCRY-JVWAILMASA-N 543.598 3.075 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409256217 KHSDIVOQYLZZKI-KVSWJAHQSA-N 512.950 3.342 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2C(F)(F)F)cc1 409270635 GNKCREULMUDFQV-IBBHUPRXSA-N 528.487 3.498 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)S(C)(=O)=O 20212029 XFRMJDQWUKVMKE-FSJBWODESA-N 506.924 3.433 50 40 KGGB CCn1c(SCC(=O)N/N=C\c2cc(OC)c(OC(C)=O)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1 100904166 ZZAYBZGODPCABE-ZMFRSBBQSA-N 543.602 3.167 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 408610529 NSSYOFBHJAFPGL-NXUGVVLJSA-N 533.423 3.457 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408680172 DKWKOLKBPUKNMX-VFWXMPKHSA-N 596.194 3.354 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408690906 XCLOHWRMPLYLAQ-MHORFTMASA-N 602.276 3.047 50 40 KGGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408862737 ISSQPFQRMNQFKQ-MNMVRKCLSA-N 552.653 3.256 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(O)c(OC)c1 408940889 DEYKYOUVTIXLRS-NRFANRHFSA-N 577.457 3.048 50 40 KGGB COc1ccc(OC)c(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)c1 409369395 MGCWWKGNBGYCMW-YUMHPJSZSA-N 511.600 3.362 50 40 KGGB CC(=O)OC[C@@H]1O[C@@H](N2C(S)=C(C#N)[C@@H](c3ccco3)C(C(C)=O)=C2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 82195528 AAFMDQBCBDIIJN-KFPCVVLLSA-N 652.678 3.427 50 40 KGGB C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101228478 YVRFYFHZZIZOIT-WIHUYKBSSA-N 592.078 3.341 50 40 KGGB O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 102995370 WETYDIPLRNTEON-UHFFFAOYSA-N 565.833 3.094 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OC)c(OC)c1 408947168 APRSOHVJGFOQDX-GLYJQWOCSA-N 652.442 3.037 50 40 KGGB COc1cc(Br)c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC 408986468 CMNUAEHXXZYSJV-IZWKTHEGSA-N 530.379 3.177 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 409175542 SJCFISDCIKSMBP-VVEOGCPPSA-N 536.972 3.470 50 40 KGGB COC(=O)[C@]1(C)Nc2c(O)cc3c(c2C1=O)[C@H](CCl)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 3918068 BOGFADYROAVVTF-MZHQLVBMSA-N 543.960 3.422 50 40 KGGB biogenic,in-vitro Cc1ccccc1NC(=O)C(=O)N/N=C1/C(=O)N(CC(=O)Nc2ccccc2)c2ccc(Br)cc21 100107304 STJMWTROLNGWRC-QUPMIFSKSA-N 534.370 3.202 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408687705 PFRXLDNWMZLHHJ-SEXKYXSUSA-N 597.249 3.181 50 40 KGGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)o2)cc1 408801139 UENDFNUSQIJJQY-JVWAILMASA-N 570.649 3.001 50 40 KGGB CCCOc1c(I)cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc1OCC 409065821 ULTBIGWIDMBEOO-RPPGKUMJSA-N 566.396 3.117 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccccc1CC 409154868 LAOSKUKDFTUVLD-HNSNBQBZSA-N 576.650 3.491 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)ccc2C)cc1OC 409157859 WBEFGCIOTFRMTE-WCMJOSRZSA-N 553.015 3.492 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(Cl)ccc3C)c2)cc1OC 409158950 POOWXJALNBKLKE-WCMJOSRZSA-N 553.015 3.492 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccc(C(=O)O)cc1 409248124 GDVUKBVBMCCSHG-CHHVJCJISA-N 535.294 3.069 50 40 KGGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2cccc3ccccc23)c1 409380610 OMFJYAAAJHOKCQ-CLJLJLNGSA-N 586.553 3.154 50 40 KGGB COc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)c(OC)c1 409383791 HMMFUYWVLLXHHZ-UFWORHAWSA-N 552.106 3.383 50 40 KGGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(C)C 3448920 UWZYKYIJMCTFCB-KRWDZBQOSA-N 508.811 3.420 50 40 KGGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 28213052 DSBISALXILIHEW-JFLMPSFJSA-N 512.563 3.068 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1OCC 39986621 BCHVGFIINHZRFV-OEAKJJBVSA-N 512.426 3.407 50 40 KGGB O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 101027840 CZRRZLFXWUIHPY-OOAXWGSJSA-N 510.915 3.441 50 40 KGGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1OCC(=O)O 408749387 NWRGPIQGIVMMDU-DNTJNYDQSA-N 580.116 3.132 50 40 KGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 408862834 MVJMLGORPLSZIQ-ICLYNSGKSA-N 578.691 3.323 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)c2ccc(F)cc2)cc1OC 409124122 JFZODZCCJVFOFM-RWPZCVJISA-N 561.588 3.214 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1 409160587 UPIFVEYQHSVTNY-KIBLKLHPSA-N 629.249 3.117 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1OC 409161906 WUDSHZNNSPYHSQ-VWJSQJICSA-N 587.004 3.331 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 409249174 IQAKMQMDKXGQRA-OCSSWDANSA-N 518.570 3.186 50 40 KGGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc([N+](=O)[O-])cc1 409381592 HGIUVZDNWPLNGS-VQTJNVASSA-N 590.328 3.198 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(Cl)c1 1529546797 HQIWBIGPCZSSHO-NOLPZJBKSA-N 609.488 3.430 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OC)c([N+](=O)[O-])c1 1529547953 SGKTYVKDPQMJRJ-MCBYZNMFSA-N 606.455 3.251 50 40 KGGB COc1ccc(/C=N\NC(=O)COc2ccccc2C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 32121724 UCYUYKGPFPEXDJ-MRSWHFBJSA-N 520.542 3.014 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccccc2C)cc1 100138794 HBEPYOMYXJHMRQ-MTDXEUNCSA-N 551.625 3.394 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1C 408870996 WQLOCXQTZMDFEA-NRXPLXKSSA-N 536.654 3.476 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)c(OC)c1 408924950 QVKSUABEWXOJLO-SAHICILTSA-N 734.285 3.330 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OC 408942713 GRFAFDCDWFIFGH-QFIPXVFZSA-N 638.484 3.193 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OC(C)=O)c(OCC)c2)c(OC)c1 408954098 NADCZTZFQQUSHX-NKFQWXKNSA-N 694.479 3.344 50 40 KGGB NC(=O)N/N=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 408999018 JUBLKROWHDVSJU-IFRROFPPSA-N 565.105 3.175 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409136142 STESQKCXODRVKA-JVWAILMASA-N 543.598 3.075 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770093 WHKWPZXBVUJWLV-FPOVZHCZSA-N 504.568 3.152 50 40 KGGB Cc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(=O)NNC(=O)Nc4ccc(Cl)c(Cl)c4)C3)C2=O)cc1 9192469 PXOSXJCXAJZVME-YWZLYKJASA-N 518.401 3.499 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 15224754 JOWXYIJUXXAOCP-YLNVQIAQSA-N 522.627 3.168 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(OCC)cc3)S(C)(=O)=O)o2)cc1 20210729 DERMXTITCCDYDO-WGOQTCKBSA-N 513.572 3.438 50 40 KGGB Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)CCC(=O)OCCc2ccccc2)cc1 97940424 FSJSDSUCBPFBKY-UHFFFAOYSA-N 532.622 3.449 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 100136462 SZWHXYGEPQRDGX-OVVQPSECSA-N 537.598 3.085 50 40 KGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccc(OC)cc1 408614346 BDLIDCFFSBYJAD-LQKURTRISA-N 520.542 3.209 50 40 KGGB CCCC[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682762 GUQUVEAMCUSNNZ-BYVAMKTGSA-N 565.626 3.442 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccccc1C(F)(F)F 409152048 IUJVINGXBXCJDE-IPBVOBEMSA-N 618.350 3.455 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1OC 409160848 ZSPABHBCKSIZGP-OKCVXOCRSA-N 538.988 3.184 50 40 KGGB CCOc1cc(Br)c(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC 101311331 DFSDXSQWXZMUJM-QYHWDGMRSA-N 511.847 3.087 50 40 KGGB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](Br)[C@]1(Br)C(=O)N(c2ccccc2)N=C1C(=O)OCC 245239964 NNVYLJJPCFXTMN-SXMMONRFSA-N 634.281 3.432 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c(OC)c1 408922983 IBIGZBGFJLAVBO-SQAVDECTSA-N 537.356 3.038 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(CC#N)c2ccccc12 408951484 UFYGKWWIESDHDE-SANMLTNESA-N 544.637 3.358 50 40 KGGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(I)cc(I)c1O)OCc1ccccc1 408987176 DXTLUDKQLZVZRO-YLUJQFKGSA-N 659.222 3.312 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409164138 CXXOIAIMAIUKSM-VFLNYLIXSA-N 567.396 3.270 50 40 KGGB N#C/C(=C/c1cc(I)c(OCc2ccccc2C#N)c(I)c1)C(=O)NC(N)=O 409236654 SSXNOSZDXKDZKH-RZNTYIFUSA-N 598.138 3.448 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409258799 VZWOLEYISZUTLQ-LUOAPIJWSA-N 519.341 3.379 50 40 KGGB CC1(C)Cc2cccc(OCC(=O)NNC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c2O1 3362824 TVJQMOMVRZIVRE-UHFFFAOYSA-N 501.586 3.102 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(C)(=O)=O)c1 20211197 MRBXFLGYGRSPOQ-MTDXEUNCSA-N 524.599 3.263 50 40 KGGB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1 408683801 IWONRBDPVZJDEN-VSKUHVEHSA-N 517.365 3.461 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)c1 408865420 CHTQDYGDVSEFOY-LQKURTRISA-N 539.610 3.209 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770091 WHKWPZXBVUJWLV-CTNGQTDRSA-N 504.568 3.152 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccccc2)c1 19951363 GLIJPUMJTYFADU-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Cl)c(Cl)c1 408654460 QNFJLJNOTJYBLJ-BOKPKCGUSA-N 510.997 3.416 50 40 KGGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1ccc(Br)c(Cl)c1 408683780 MDRLXRGKAKURJF-IDNXRVBGSA-N 507.562 3.155 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)cc1 408870117 VFFIYOVNJDDYOQ-JVWAILMASA-N 509.584 3.201 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c1 59472855 PIHPQUACLMMWOC-JVWAILMASA-N 509.584 3.201 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 103896417 BDARJPQWXPYXLM-CVKSISIWSA-N 542.570 3.275 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)o1)C(=O)Nc1ccccc1 408877068 PHYHHQKTGNFHML-MNBJERMJSA-N 539.548 3.202 50 40 KGGB CCOc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCC(=O)N1CCOCC1 409008935 ALQCFYFOUVJPNR-ZMFRSBBQSA-N 510.374 3.159 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 409185124 JMIJGQRCYFVQGS-WUQZZNSYSA-N 585.082 3.360 50 40 KGGB C[C@H](OCC(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)O[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000183 YVCZDCCLMQIGIV-BBWFWOEESA-N 636.526 3.379 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 20059911 GVQXQMANGFNYLM-MFKUBSTISA-N 512.544 3.266 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c(OC)c1 408939667 BEPWOKDNAZALCS-MDHATTPZSA-N 588.459 3.244 50 40 KGGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c1C 409160853 ZUCMOZGOYXUXOB-CCVNUDIWSA-N 547.450 3.465 50 40 KGGB CCOC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548956 QUJQCYIYVGGZIC-CXYKTUMRSA-N 589.070 3.167 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)C(C)C)cc1 8694331 YARHIZGRSPFLCH-HHHXNRCGSA-N 562.623 3.109 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100769905 TVNRJHJCDOMWKB-SPRMRHPOSA-N 531.602 3.330 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)CSc3nc4ccccc4s3)C2=O)cc1OC 101005483 RVRIUBISCUSVDG-ZDLGFXPLSA-N 560.704 3.454 50 40 KGGB COc1ccc(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)c(OC)c1 408678808 DDQBTSUKZNAFAX-YUEHCAIXSA-N 515.360 3.466 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC 408711961 SMXLMDSQWVVZML-ZMOGYAJESA-N 540.354 3.333 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC 408785056 XILZTZNPXMRABB-OVVQPSECSA-N 527.599 3.457 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)c1 408860944 IZYLKNYKPVLJRU-VULFUBBASA-N 502.568 3.167 50 40 KGGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(O)c1 408939930 NNCJWTWYKCUTAI-ZVHZXABRSA-N 502.390 3.496 50 40 KGGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1O 408951529 UNIWCTLVFPYUPU-DEOSSOPVSA-N 508.600 3.006 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2OC)c(OC)c1 408953207 LTQONDOWTWSPRU-GKFWUUHHSA-N 567.643 3.270 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)c(OC)c1 408954223 YUIYNNDWZSOSSV-QWMPUUBNSA-N 652.442 3.037 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1Cl 409252142 QUOZRYNAYIISRW-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 409378041 MTKYLTJBWBIPMF-WOJBJXKFSA-N 545.331 3.290 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC(C)C)cc1 1529547664 NURAMPVADHKKEZ-OGCGYOKDSA-N 510.616 3.359 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408958662 ZTWKYWGGXGDIEY-XEXDPSGUSA-N 738.532 3.361 50 40 KGGB C=CCN1C(=O)/C(=N/NC(=O)c2ccc(C(=O)N/N=C3/C(=O)N(CC=C)c4ccccc43)cc2)c2ccccc21 725653 ORLJRPKYYTZCOU-YESHOFFLSA-N 532.560 3.020 50 40 KGGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1cccc(Cl)c1Cl 100858395 IZXIFMDJJHWIQM-FMCGGJTJSA-N 534.263 3.213 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409110949 ZUDQFEAMVTVFOU-LQKURTRISA-N 573.624 3.084 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409160811 ZOFBHIBNQZWYJZ-KVSWJAHQSA-N 604.401 3.294 50 40 KGGB C[C@H](OC(=O)COCCOCC(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060999688 GQVDEUNDXXEIMF-HDICACEKSA-N 666.552 3.007 50 40 KGGB Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)c([N+](=O)[O-])c1 2324760 SWVXEQGOUMQEEY-UHFFFAOYSA-N 512.114 3.280 50 40 KGGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 19952565 XHIUNCVPDKXKIJ-UHFFFAOYSA-N 513.373 3.117 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)c1C 20061169 GJBGCZBINPDEMA-JVWAILMASA-N 514.648 3.047 50 40 KGGB CC(C)[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100553178 QIIDVOHFBZRLFU-DMAWMXMSSA-N 586.233 3.123 50 40 KGGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103558303 BCOCWDQCPRYCFE-MXEMCNAFSA-N 519.311 3.376 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)c(OC)c1 408683105 HKLAHUIOEIOBRJ-ZOQGBNKYSA-N 547.391 3.469 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c(OC)c1 408833278 XKQRZSPUOGSEMN-RWPZCVJISA-N 575.043 3.291 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 408837485 GUTYUIJWJRKVKZ-CVKSISIWSA-N 560.426 3.347 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OC 408947621 OAJOKHMAFFWFSZ-JOCHJYFZSA-N 591.484 3.351 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1cccc(C)c1 409152865 GNGBWBXYGJFFEB-CCVNUDIWSA-N 610.449 3.007 50 40 KGGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccccc2)cc1 28212893 FFTWZEKXMXGTRI-LQKURTRISA-N 508.600 3.020 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 58919063 HZNXSLQYSSWZFM-ZVHZXABRSA-N 500.602 3.369 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(Br)c1OCC(=O)Nc1ccccc1 408610520 NOKXYFASQQTDRI-SQAVSUBZSA-N 519.396 3.230 50 40 KGGB CCOC(=O)COc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408941558 DWAKMUJBJYBZNN-VWLOTQADSA-N 619.096 3.176 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409256240 KVKDCYVCEPPIGT-JBCPZZPVSA-N 508.497 3.486 50 40 KGGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc(Br)c1OCc1ccccc1Cl 2587488 QICOMRLDLWDOBH-YCPBAFNGSA-N 561.784 3.308 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC)c(OC)c2)c(OC)c1 408950723 HLPPXPVOLBVTQK-FNMFPPKFSA-N 575.018 3.476 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409120715 SDGBDTKDZTWJHS-JFLMPSFJSA-N 531.562 3.206 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cn(CC#N)c2ccccc12 1529549187 USXMEKDMMJTLAF-SDEFACTDSA-N 530.610 3.050 50 40 KGGB O=C(NNC(=S)NC(=O)c1ccccc1I)c1cccc(Br)c1 2374648 IFVRRHQGDOGION-UHFFFAOYSA-N 504.147 3.003 50 40 KGGB CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)c1 2433116 LVDCILLHUJJNIR-OQKWZONESA-N 519.627 3.336 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59443845 QAFDPSLEXDPEAS-CVKSISIWSA-N 501.536 3.197 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100331932 JMEPIYNPYIDFSW-WGOQTCKBSA-N 530.534 3.487 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)cc2)cc1 162399147 CPXMACDGZFCLFW-RTQNPRDOSA-N 675.789 3.227 50 40 KGGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1ccccc1 408774624 COCBEYBGIWFCMT-VFCFBJKWSA-N 517.611 3.220 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408859225 RDPSGODMHYHSKE-VTNSRFBWSA-N 651.654 3.246 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c(=O)c1C#N 409003459 GYGSRUPKBXVCOV-YNFMAFFXSA-N 580.439 3.414 50 40 KGGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(=O)OC)cc3)[C@@H](C(=O)OC)C(=O)N2)cc1 409324190 RMFCGQASAQLWIZ-FCHUYYIVSA-N 507.568 3.145 50 40 KGGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(C)=O 409388386 UXIFEBHYHUPDAC-ROJLCIKYSA-N 771.688 3.104 50 40 KGGB O=C(CNC(=O)c1ccc(Br)cc1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 1302265 IBDXQQOCILWZAO-FAJYDZGRSA-N 505.372 3.289 50 40 KGGB O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cc(Br)ccc1OC(=O)/C=C\c1ccco1 97966317 AIJACDHJPZZMNN-PZFSTOFXSA-N 554.353 3.312 50 40 KGGB Cc1ccc(S(=O)(=O)NNC(=O)CCCCCN2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 101007067 ZXMUYQHBISTLJI-STZFKDTASA-N 547.680 3.495 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409028947 VFHGKEDIVPUNGB-JFLMPSFJSA-N 636.468 3.234 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 409150229 AOPICTOZPTYTOY-AKHCIFGASA-N 575.460 3.173 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(CC)cc1 409151760 HJJKSLSZPWKVEK-UXHLAJHPSA-N 502.571 3.432 50 40 KGGB COc1ccccc1OCC(=O)NNC(=O)/C=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1 97980243 QOUWNUBRNKWGQY-RVDMUPIBSA-N 526.567 3.020 50 40 KGGB CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]23C=C[C@@]2(C[C@H](OC(C)=O)CC[C@]12C)[C@@H]1C(=O)OC(=O)[C@H]13 263611430 XCRYSOZAEGNUJX-NNBSPJGISA-N 510.583 3.475 50 40 KGGB COc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccc(Br)cc3)s2)c1O 408732828 ZSZLZUWXBVTCSW-UFFVCSGVSA-N 505.354 3.352 50 40 KGGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(I)cc2)cc1)C(=O)N1CCOCC1 408766484 RJUUCMGRRIXDRT-GHRIWEEISA-N 517.323 3.074 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1 408785841 IJLAXMXUBVDJDU-MFKUBSTISA-N 512.544 3.266 50 40 KGGB NC(=O)COc1ccc(/C=N/NC(=O)c2cc3cc(Br)cc(I)c3o2)cc1 408964340 QXCOPIKPSKIVOT-GZIVZEMBSA-N 542.127 3.428 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccccc1F 409153400 LPEHDVQNIYAETO-IURWMYGYSA-N 570.961 3.391 50 40 KGGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(C)=O 409381998 JSCVADNCRUKULV-KKLWWLSJSA-N 785.715 3.032 50 40 KGGB O=C(NN1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccc([N+](=O)[O-])cc1 9591173 HQSIDDBZPPZALP-YJBOKZPZSA-N 508.314 3.165 50 40 KGGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)c1 408691352 ZLRQFZOJKQVXLJ-IOXUAXACSA-N 562.362 3.369 50 40 KGGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1cccc(I)c1 20493209 YGBKQOXVSVNWCC-UDWIEESQSA-N 505.765 3.251 50 40 KGGB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 102996228 UUFCCDNZBRXBKZ-CYBMUJFWSA-N 589.454 3.061 50 40 KGGB Cc1c(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408772886 NTPLLPFGNNALFZ-OGLMXYFKSA-N 538.029 3.483 50 40 KGGB COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 408964163 QETDMGPDYONOKB-ZVHZXABRSA-N 540.436 3.026 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409160461 YPXUJWWQERLFES-IPPBACCNSA-N 624.476 3.316 50 40 KGGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 1890638 UXRVEWQMLYKXOG-IURWMYGYSA-N 576.520 3.441 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2cccc(C)c2)cc1 408830000 MTQDWUVBCVBVRN-MTDXEUNCSA-N 551.625 3.394 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)ccc1C 409155235 CPIDAMDXRFNGLT-LGJNPRDNSA-N 503.397 3.450 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 409183753 DHFCUDGGLKDCDJ-GTNUZBGFSA-N 578.691 3.269 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC(N)=O 409220114 YGZNUIAATWOXQI-OVCLIPMQSA-N 505.312 3.408 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 409261131 AGHXTKTVDOLCPR-LGJNPRDNSA-N 531.407 3.156 50 40 KGGB C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OCC)c2)cc1OC 409314100 KEPSZRPBMXZTPX-MSXFZWOLSA-N 554.337 3.491 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)c(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409316804 NCORPGDDZXSVFH-WOJBJXKFSA-N 531.949 3.375 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770027 GFORCXQTDKRNDR-RBBKRZOGSA-N 518.595 3.461 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc2ccccc12 408685603 LTZWIRKJNGNOLW-YVSFHVDLSA-N 552.219 3.244 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1OC 408860450 VYHUSGHSJLQJAL-AJBULDERSA-N 594.690 3.441 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409125299 DTHXOFFPAZMOAN-RDRPBHBLSA-N 585.635 3.228 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2cc(C)cc(C)c2)cc1OC 409184608 HGYSDOKXCAIFLD-MKWJPVCQSA-N 638.743 3.340 50 40 KGGB COc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)cc(Br)c1O 1880349 VPUZUQIFVGPWCV-WDBPGAOMSA-N 572.210 3.021 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)N(c3ccc(OC)cc3)S(C)(=O)=O)cc2)cc1 103901912 MOFRRPZKJCXSSZ-WKTMJKCCSA-N 554.625 3.026 50 40 KGGB CCOC(=O)Cn1c(C)c(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c2ccccc21 408950676 HHTGUPKZRMSUGB-VAZBQEBRSA-N 605.648 3.242 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1OCC 409025122 LUSSYKAMMBMXMY-OEAKJJBVSA-N 557.410 3.171 50 40 KGGB COc1cc(/C=N\NC(=O)c2nn(-c3cccc(C(F)(F)F)c3)c(=O)c(C#N)c2C)cc(OC)c1OC 409051119 AENXLLUHMZDBQO-ULPWCQAASA-N 515.448 3.221 50 40 KGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)O)cc1 409382867 WTGRCIPXZWDXKW-IZLXSDGUSA-N 609.591 3.165 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409388784 XATLWBWFKBUNES-LEWJYISDSA-N 575.357 3.299 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3cccc(Br)c3)c2=O)=C(C#N)[C@@H]1c1cccc(Br)c1 2051393 UHBYSHZMUZZXAH-JSAJWXMXSA-N 540.240 3.386 50 40 KGGB COc1ccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC(=O)N4CCOCC4)c(OC)c2)C(C#N)=C(N)O3)cc1 3013822 OVMRKAKIBZUINH-OAQYLSRUSA-N 533.541 3.152 50 40 KGGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(OC)c1 13514297 CFCIJZLANYSSHD-DSXQODSPSA-N 518.482 3.262 50 40 KGGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 408611000 PGZUVURLKKSEID-KIBLKLHPSA-N 525.787 3.023 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408678733 BWIFRPKWKZELNZ-AAIHTIDVSA-N 584.305 3.460 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408749987 VUSVJSMFDRLBBK-OEAKJJBVSA-N 514.472 3.433 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Cl)cn34)o2)cc1 408822845 CEFIACKKSRXIRI-DBFSUHOCSA-N 550.959 3.085 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409159422 ZVENYGUJUFJRBF-WBFLIZMFSA-N 581.851 3.182 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409251170 OQWOUVXGAVFZQF-FCUAXUHVSA-N 519.396 3.148 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(C)=O 409376602 BRLXCBXOHSAJQZ-LQJZCPKCSA-N 785.715 3.412 50 40 KGGB COc1cc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)cc(OC)c1OC 1087049 XDRBNWZWEKPKAC-AUEPDCJTSA-N 518.324 3.392 50 40 KGGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12 2408696 FXZCOYSAMDWWPU-GDLZYMKVSA-N 505.486 3.255 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3C)S(C)(=O)=O)cc2)cc1 28213044 YRYXMWKPBCJJBH-JVWAILMASA-N 508.600 3.237 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)cc1 408881553 MXFFUQFVCBJPRD-NDZAJKAJSA-N 516.598 3.333 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccccc1F 409161924 XCANSXUXANCGSG-PNQUVVCRSA-N 556.934 3.000 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)cc2)cc1OC 58925324 HFLJGCMHJQKFNK-JVWAILMASA-N 525.583 3.129 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 103896658 YTAXZHADEAVVPJ-LJVLJBDNSA-N 552.653 3.258 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21)S(=O)(=O)c1ccccc1 104705283 JPZARQHSILKNHB-UHFFFAOYSA-N 557.426 3.434 50 40 KGGB COc1ccc(CC(=O)Oc2ccc(C(=O)COC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)cc1 408684728 NUZWUQCJGOUJOM-XKTNGNEZSA-N 543.366 3.140 50 40 KGGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408819066 ZTRQEZJGKVBNLG-JFLMPSFJSA-N 591.067 3.346 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408862251 GMLPRWJZXRHILP-FFWKWCQCSA-N 608.717 3.413 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 408945331 KLXMPPDWXNJTNY-OAQYLSRUSA-N 531.978 3.133 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cn(CC#N)c2ccccc12 408951547 USXMEKDMMJTLAF-RUZDIDTESA-N 530.610 3.050 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(OCC)c2)c(OC)c1 408954891 NPXOVYLWXXRCCY-GEPNNGOASA-N 644.479 3.479 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)N3CCCC3)c(OCC)c2)cc1 409151526 HMFOVMBGAZXQIY-LQKURTRISA-N 620.444 3.345 50 40 KGGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409374963 CEQZCKAVWXPQGX-YADHBBJMSA-N 602.383 3.249 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 1529544414 DEYKYOUVTIXLRS-MCBYZNMFSA-N 577.457 3.048 50 40 KGGB Cc1ccc(S(=O)(=O)NNC(=O)CN2C(=O)c3ccccc3[C@H]2c2c(C)n(C)c3ccccc23)cc1 9096590 DDPKINGYSPSJHJ-SANMLTNESA-N 502.596 3.350 50 40 KGGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 408874250 AOSKIBURLNSBJA-YZSQISJMSA-N 509.544 3.289 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)c2ccccc2)cc1OC 409124424 AAKURKXQNIJDDW-JVWAILMASA-N 543.598 3.075 50 40 KGGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(I)cc(I)c1O 409362717 JXIXNHPZKNLKIK-UKWGHVSLSA-N 564.117 3.065 50 40 KGGB Cc1c(NC(=O)/C(C#N)=C/c2c(N3CCCCCC3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 2199801 FCFJODRCPRBHNY-DYTRJAOYSA-N 523.597 3.418 50 40 KGGB COc1cc(-c2n[nH]c3c2[C@@H](c2cccc(OC(=O)N4CCOCC4)c2)C(C#N)=C(N)O3)cc(OC)c1OC 8410138 PTOYQEHJKNFJHE-NRFANRHFSA-N 533.541 3.152 50 40 KGGB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccccc1O 8820037 AQJIDYQBWBIKCK-MOSHPQCFSA-N 513.597 3.344 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(C)(=O)=O)cc1Cl 20212983 DAYBCLVZVVLTOZ-ODCIPOBUSA-N 502.774 3.056 50 40 KGGB Cc1ccsc1/C=N/NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1 20214576 ADMLRDIMDVHWBV-WGOQTCKBSA-N 523.640 3.200 50 40 KGGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408678128 CPGDDCLQYPMJTR-VTLVALNESA-N 544.310 3.111 50 40 KGGB COC(=O)COc1cc(Br)c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 408768307 FCAWDWLECGQGAX-PDGQHHTCSA-N 514.376 3.265 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(Cl)cc2C)cc1 408825403 AJAFLZRRTVHGIJ-CCVNUDIWSA-N 529.018 3.167 50 40 KGGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1 409127396 DCOFCYVOWOLPHC-OEAKJJBVSA-N 520.352 3.032 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1OC 408925017 RPYBFSKLXINICC-FNMFPPKFSA-N 617.453 3.361 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409388791 XATLWBWFKBUNES-RTWAWAEBSA-N 575.357 3.299 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 100240293 AMWNLUPXTRWMED-TURZUDJPSA-N 567.624 3.176 50 40 KGGB COc1ccc(CCN2C[C@H](C(=O)NNC(=O)c3cccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)c3)CC2=O)cc1OC 150452169 GUBPCAGBNDWYJO-HXUWFJFHSA-N 634.633 3.376 50 40 KGGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 229860979 VOZLIOSVTCAVIP-ANULTFPQSA-N 519.311 3.376 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408683550 IHIHEONQAKNHFA-NQHRYMMQSA-N 525.561 3.378 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409162652 GRBZCNCQGGAXOK-XODNFHPESA-N 604.401 3.375 50 40 KGGB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1 409169006 OQKVYFWEGBXRGM-CCVNUDIWSA-N 547.450 3.465 50 40 KGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 409184418 GQBQBXSEQWMYJE-YZSQISJMSA-N 509.544 3.289 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547839 PRNUATLJBMXIMR-MEIHFEFKSA-N 663.547 3.285 50 40 KGGB C[C@@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1)c1ccccc1 408606732 ANILFACZOZQIQP-WMMPRDMWSA-N 527.375 3.065 50 40 KGGB C#CCOc1ccc(Cl)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408948583 POCIAOHHNOVTHQ-DEOSSOPVSA-N 541.029 3.237 50 40 KGGB CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)c1O 409109719 JTLXATXJWUFRPJ-OVVQPSECSA-N 511.600 3.183 50 40 KGGB C[C@@H](Oc1ccc(Br)cc1)C(=O)NNC(=S)NC(=O)c1cc2cc(Br)ccc2oc1=O 3669150 GODYYDOXMKIZSL-SNVBAGLBSA-N 569.231 3.421 50 40 KGGB CC(C)(C)c1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 32576995 BFRRSQPZJVKWBJ-XYGWBWBKSA-N 521.481 3.203 50 40 KGGB CCc1cccc2c(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)cn(CC(=O)N3CCOCC3)c12 59087278 VXLGEXRQOQYWRW-FYJGNVAPSA-N 500.555 3.015 50 40 KGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 409026985 MUWXSTJIICFSRB-DFVFNMDZSA-N 536.654 3.422 50 40 KGGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC 409150607 CMKFJFVLVYEONC-KCSSXMTESA-N 562.623 3.101 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)S(C)(=O)=O)cc1OC 20211260 GIBQYHNWKWRYRD-JVWAILMASA-N 527.599 3.208 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(C)cc2)cc1 100242993 GWYCPMLOLBDYAM-VUTHCHCSSA-N 581.651 3.484 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408690605 WBEHUTGKNBCFOQ-MQYQWHSLSA-N 570.156 3.109 50 40 KGGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc(Br)ccc1Br 408720609 ADVREBQBCPIPIZ-GZIVZEMBSA-N 519.157 3.344 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OC 408767142 VZXREZMBUBRIAF-DOUQRPAJSA-N 512.426 3.228 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccccc1Br 408860640 ATQSXCCQEYTGDQ-CVKSISIWSA-N 565.490 3.193 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 409155199 CNJXDNWQNYDWOW-STCBLWGXSA-N 575.460 3.146 50 40 KGGB CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC 409239135 CBNVFSJMXYRAIR-AUEPDCJTSA-N 525.425 3.439 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2Cl)cc1 409260141 LKGLBUHRWNSHLK-VFLNYLIXSA-N 522.945 3.161 50 40 KGGB COc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc(I)c1O 409355221 CHXAQHAMDFZVAX-DNTJNYDQSA-N 504.122 3.330 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 409379950 CZEVOYLYGUXVME-CONSDPRKSA-N 745.694 3.279 50 40 KGGB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1cccc2ccccc12)c1ccccc1 409382092 KYXKKJAROQJFKA-DNQXCXABSA-N 526.501 3.137 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)Cc2ccccc2)cc1 6073824 YOXIKJFDXCZRMR-WPWMEQJKSA-N 507.616 3.052 50 40 KGGB Cc1ccc(C(=O)N/N=C\c2cc(I)cc(I)c2O)cn1 9948760 BTTOACPNICBMIL-WSVATBPTSA-N 507.069 3.069 50 40 KGGB COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1OC 59921850 SEYMEBUDKZWQMQ-OEAKJJBVSA-N 510.410 3.017 50 40 KGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)CCNS(=O)(=O)c2cc(Br)ccc2Br)c1 150448771 FFIFWLHLJDGJSC-UHFFFAOYSA-N 690.392 3.151 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1Cl 408688236 QBONIVLCLZTSDU-VLEAKVRGSA-N 571.049 3.397 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 408782120 WAAIIRBTAFFZPI-ZTKZIYFRSA-N 547.637 3.229 50 40 KGGB CCOC(=O)COc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 408950068 RMQPINNUGXKKJR-VWLOTQADSA-N 633.521 3.276 50 40 KGGB Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=N/NC(=O)Cc2nnc(N)s2)cc1 408964641 XKXRZWVGUZEUPW-AFUMVMLFSA-N 534.436 3.358 50 40 KGGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc(OCCOc4ccccc4)c3)s2)cc1 408969742 SVCNVZKBOWPJTO-MTDXEUNCSA-N 531.594 3.950 50 40 KGGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409324839 VIKQNWKXPDLCOH-VXKWHMMOSA-N 521.595 3.454 50 40 KGGB CCOC(=O)Cn1c(C)c(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 1529548601 JVRFLMXTVJVZAG-SJZSCEGWSA-N 591.690 3.398 50 40 KGGB C[C@H](OCC(=O)O[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)O[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000185 YVCZDCCLMQIGIV-ULQDDVLXSA-N 636.526 3.379 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1C 408686519 NHIDYUSYLYSGIM-MUEHPZDASA-N 532.218 3.013 50 40 KGGB COc1ccc(OC)c(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 408689531 YLADSVWDEOGUHS-KPIIRZJKSA-N 515.360 3.466 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(OCC)c2)c(OC)c1 408947728 BERNKRUPPAXJDM-SKOAPIPBSA-N 663.478 3.040 50 40 KGGB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1 409256118 JULYGXHOWZRPKA-KKMKTNMSSA-N 527.375 3.443 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccc(C)cc1 409339827 ZDUFPVHKUHROPV-AZPGRJICSA-N 506.584 3.086 50 40 KGGB COC(=O)C1=c2s/c(=C\c3ccccc3Br)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1Br 1875157 JBADTOBTYHIOLU-BHEJFATLSA-N 573.266 3.036 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2ccc(Cl)cc2)cc1 20061044 GHGIVVAAHVKIJM-AFUMVMLFSA-N 501.948 3.392 50 40 KGGB C[C@H](Sc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc(N(C)C)o2)s1)C(=O)N/N=C/c1ccc(N(C)C)o1 100953332 AIKQSBLUSRLZBD-SDTMWHLTSA-N 564.719 3.118 50 40 KGGB COc1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2O)cc1 409104945 GVWRZGSSBDOSCK-UWVJOHFNSA-N 505.106 3.297 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1OC 409154050 JQVDBRMXKCLIFZ-VTNSRFBWSA-N 562.623 3.156 50 40 KGGB C#CCOc1c(I)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC 409238075 YYSUHWSPXNULHC-SSDVNMTOSA-N 524.384 3.351 50 40 KGGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 100139670 JGPZQQCKHKBRSK-MBTHVWNTSA-N 529.018 3.385 50 40 KGGB COc1cccc(CNC(=O)CN(C(=O)n2ccnc2)N(CC(=O)NCc2cccc(OC)c2)c2nc3ccccc3o2)c1 100479766 RIWLGLJXXMVVPV-UHFFFAOYSA-N 597.632 3.366 50 40 KGGB CCOc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2CC(=O)OC)cc(OCC)c1OCC 103919674 NRXMUTPWCHPABQ-UQQQWYQISA-N 554.600 3.366 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OC 408783437 PDSQHNWPWROOSM-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB CCOC(=O)COc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 408945444 KSTLKRZMEIOIKF-DEOSSOPVSA-N 678.518 3.184 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)OC)c(OCC)c1 408952058 VDTMDEWZJUAQJC-RUZDIDTESA-N 710.547 3.127 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 409150388 BSYREUHPKKCNSQ-IPPBACCNSA-N 577.476 3.473 50 40 KGGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)N4CCOCC4)cc3)cc2)CC1 409184778 NMHGKPHDEHVFDK-STKMKYKTSA-N 571.678 3.019 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409263643 NJRVARWCYMLGDH-XODNFHPESA-N 512.950 3.424 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1OC 409268728 YFZHCASDGMWBII-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 20231854 JEYTYXAVVRJWBM-WGOQTCKBSA-N 510.572 3.008 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408856393 GRUGQVVOVDYQKD-RPPGKUMJSA-N 621.422 3.449 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2cccc(Cl)c2)cc1 409110179 TWMDWMKPGSDQEY-CVKSISIWSA-N 515.975 3.465 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cccc(Br)c2)cc1 409327782 MVCVKLDDHWOHDP-SLEBQGDGSA-N 541.427 3.450 50 40 KGGB COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@]21C(=O)N(CC(=O)Nc2ccc(OC)cc2)c2ccccc21 98008979 IMPMUDAEINSECV-MHZLTWQESA-N 530.562 3.209 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)o2)cc1 150410246 YANXXPLTODCHQQ-QALLZDEASA-N 650.735 3.337 50 40 KGGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 408609752 LHNDCZBLEAHUOO-IPBVOBEMSA-N 512.872 3.137 50 40 KGGB COc1ccc(OC)c(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 408688920 XFHUNEAPRPTCQR-YUEHCAIXSA-N 515.360 3.466 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OCC(N)=O 409225495 OVZOBOLKHJWBSV-NTUHNPAUSA-N 509.275 3.239 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409378689 ROZYIGXUJPTYGR-LEWJYISDSA-N 575.357 3.299 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(C)cc2)cc1 59858749 QZVIHNXGPGNEPS-ICLYNSGKSA-N 594.690 3.023 50 40 KGGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1Cl 408678768 BYEXYSWYINGJHV-JYUSNPHGSA-N 576.669 3.298 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408679905 FOTBBGZOXZRHDK-IHXMYUSMSA-N 501.171 3.064 50 40 KGGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408862735 ISSQPFQRMNQFKQ-CDZQYWPNSA-N 552.653 3.256 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408964835 HUNPGDLLZPJTAO-LSFURLLWSA-N 553.265 3.270 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409160432 YMCXJPSXKRQRSP-KBKYJPHKSA-N 598.825 3.398 50 40 KGGB O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)NNC(=O)c1ccc(Br)cc1 674520 OHWAYQPWXGZQBV-UHFFFAOYSA-N 539.209 3.319 50 40 KGGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1nc2ccccc2c(=O)n1Cc1ccccc1 28218234 IDWFWXGSBAXEBD-UHFFFAOYSA-N 502.328 3.294 50 40 KGGB C[C@@H](Sc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc(N(C)C)o2)s1)C(=O)N/N=C/c1ccc(N(C)C)o1 100953330 AIKQSBLUSRLZBD-IDRFTRLMSA-N 564.719 3.118 50 40 KGGB COc1ccccc1NC(=S)NNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 102994657 YJQMTOGWEVAJSU-UHFFFAOYSA-N 528.612 3.289 50 40 KGGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)O)c(OC)c2)c(OC)c1 408876738 QPWCXSSJHOIFRZ-GIDUJCDVSA-N 552.321 3.004 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409174128 LKMMFCCQLCTQLE-SVLFYUKMSA-N 584.386 3.211 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2Cl)c(C)c1 409174456 MLLCMLQUOYUNKZ-VVEOGCPPSA-N 536.972 3.470 50 40 KGGB Cc1cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c2)ccc1Br 409269189 GTTUFECHZVFJNN-MZJWZYIUSA-N 533.423 3.156 50 40 KGGB C#CCN1C(=O)/C(=N/NC(=O)c2cccc(I)c2)c2cc(Br)ccc21 15930477 KQZDHWKWLQTJDB-LTGZKZEYSA-N 508.113 3.168 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 20211876 JCOZVEJNKCWHPM-AFUMVMLFSA-N 500.508 3.229 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 103883584 VYMUUEHEHGFNFM-UYRXBGFRSA-N 575.403 3.497 50 40 KGGB C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 408608641 HYNBPELMSOLPAS-KBKYJPHKSA-N 521.799 3.489 50 40 KGGB C/C(=N\NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1cccc(Br)c1 408775398 SNAGJIVYHPKHFU-SDGJFRJFSA-N 605.536 3.053 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2OC)cc1 409167538 IZXBUMRFMPFBLL-RWPZCVJISA-N 504.543 3.427 50 40 KGGB O=C(CNC(=O)c1ccccc1I)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 1287993 SLTJVHWLNJRZGB-FAJYDZGRSA-N 552.372 3.131 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2ccc(C)cc2)cc1OC 19955627 KVAKDXKQYJSVPL-CVKSISIWSA-N 513.572 3.072 50 40 KGGB COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)c(Cl)nc2c1 20213282 XQNYTIKBADRZIO-BHGWPJFGSA-N 511.387 3.475 50 40 KGGB Cc1ccc(NCC(=O)N/N=C/c2cc(I)cc(I)c2O)cc1 97961059 LMLLTJDWYIOULK-DNTJNYDQSA-N 535.123 3.472 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)Cc2ccccc2)cc1 100070513 RPLHGGYPQZLMII-UVHMKAGCSA-N 587.452 3.477 50 40 KGGB O=C(NC[C@H]1CCC[C@H](CNC(=O)NNC(=O)c2ccccc2Cl)C1)NNC(=O)c1ccccc1Cl 102986025 WHJKGDANXYWEDE-HOTGVXAUSA-N 535.432 3.388 50 40 KGGB COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 102995488 BUMJZUMBFNMJLK-UHFFFAOYSA-N 528.637 3.319 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408678623 BSMMSVUWTXPEAO-YHNOSABPSA-N 576.669 3.297 50 40 KGGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408861506 SDUDPTYXZFZHOQ-QVKATGLSSA-N 588.711 3.153 50 40 KGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 408863560 PFPFZWKCLRIMJO-OCSSWDANSA-N 557.072 3.302 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(C)c1C 409151298 AZRLWDGCLYAWIB-LGJNPRDNSA-N 503.397 3.450 50 40 KGGB Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1 409155778 NAWUJGPYOSFJOL-CCVNUDIWSA-N 547.450 3.465 50 40 KGGB CC(C)N1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2\C(=O)N(C(C)C)c3ccc(Cl)cc32)c2cc(Cl)ccc21 1480581 RBZUQGLQKBGWGE-USBDYYCYSA-N 543.411 3.234 50 40 KGGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)cc1 408685515 LJYJBUYMFDXVOQ-NTQGCYDRSA-N 544.391 3.411 50 40 KGGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C 408760508 ZVDJMDHCKYWDNC-NVAXRVGSSA-N 510.410 3.136 50 40 KGGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408875216 HLHKYFCZOCQBSG-KCSSXMTESA-N 604.607 3.289 50 40 KGGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OC)o2)c1 408922039 DOMOJLPNZKJFIO-WYVORDNDSA-N 590.589 3.462 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC)c(OC)c1 408922080 DWOGPPDAGHOZPF-VVKUOSDESA-N 575.416 3.186 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)cc2OCC)c(OC)c1 408951363 IQPMMSZCAKHEEN-FNYQFALQSA-N 554.600 3.213 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccccc1Cl 409157007 OTVWVTVPEHCXOD-KBKYJPHKSA-N 533.766 3.480 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1C 409254792 FQAPROAEJLAMPN-KKMKTNMSSA-N 527.375 3.443 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(OC)ccc3OC)S(C)(=O)=O)o2)cc1 103894630 ZRPKBPORNKEJLE-CVKSISIWSA-N 529.571 3.057 50 40 KGGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)cccc2OC)cc1 408613125 ZJFVBRYYTIDKEB-SFHVURJKSA-N 534.569 3.226 50 40 KGGB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)c1 408689552 SEWOBZNLCJJJME-YKIFOBKMSA-N 547.391 3.469 50 40 KGGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc(I)c(O)c(I)c1 409088602 FTUCFNBPMKYFCY-FBCYGCLPSA-N 550.090 3.023 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc(Br)c1O 409122286 XGFVRXQWALCQRQ-UVHMKAGCSA-N 594.415 3.419 50 40 KGGB O=C1Nc2c(Br)cc(Br)cc2/C1=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100555987 NSFQMHLABPDBDT-UHFFFAOYSA-N 513.058 3.114 50 40 KGGB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cc1 102909039 HATHMJWJHDXJAZ-HSZRJFAPSA-N 544.637 3.365 50 40 KGGB O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNC(=O)CSc3nc4ccccc4[nH]3)C2=O)SC1=S)NNC(=O)CSc1nc2ccccc2[nH]1 195799061 IRHSNAKHQKDMSN-OCEACIFDSA-N 843.058 3.111 50 40 KGGB COc1cc(C(=O)NNC(=O)c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 409003593 SZXXJKXJCZHJTG-UHFFFAOYSA-N 539.541 3.065 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409024221 BWBCTYXORUFAOD-IPISDEMTSA-N 525.583 3.336 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccccc1CC 409261939 FNCJBPOKGJGCRP-STBIYBPSSA-N 512.607 3.047 50 40 KGGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)C[C@H]2SC(=O)NC2=O)cc1 9075562 VQXWPNBAQPXHIY-YJCKXXIQSA-N 500.583 3.186 50 40 KGGB O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 102982184 JJBOJAKWBHPMET-YZSQISJMSA-N 522.539 3.362 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cccc(Cl)c2)cc1 103899290 ISQMDKZWKXPDCR-UXHLAJHPSA-N 585.082 3.232 50 40 KGGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 408863618 NXWFJTGKPLRWBE-NRXPLXKSSA-N 536.654 3.476 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)O)c(I)c1 408938884 ALTHRJFKHPNLBS-QFIPXVFZSA-N 731.363 3.402 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)cc2OC)c2ccccc2OC)cc1 409024160 AJLANPWPDHZMFB-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409024650 MFDOISNMVVQDFM-OGLMXYFKSA-N 557.625 3.465 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529547455 LDFIVJLAYZAIFC-KIQZMAHNSA-N 680.521 3.118 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OC 408939762 BLICRMQISMMOJA-QFIPXVFZSA-N 517.007 3.234 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2ccc(F)cc2)cc1OC 409131988 QEUAXQNLMSRRQY-VULFUBBASA-N 546.533 3.105 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409170044 SRWVFZKEMLHMAR-OPEKNORGSA-N 584.798 3.090 50 40 KGGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(I)c1OC 409233875 UIBHHWLWHDUTHD-AWQFTUOYSA-N 500.362 3.348 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770088 RZWBEOULEGRCOP-RBBKRZOGSA-N 518.595 3.461 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2cc(C)cc(C)c2)cc1OC 19956368 GODZABPHGLHHLR-JFLMPSFJSA-N 527.599 3.380 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCc3ccc(O)c(O)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332899 LBQUZEGPLOWJBH-POHYNCTCSA-N 519.591 3.288 50 40 KGGB CCOC(=O)C1=NO[C@H](Cc2c(/C=N\NC(=O)c3cc4cc(F)ccc4[nH]3)c3c(c(OC)c2OC)OCO3)C1 100238666 ZKAAFBGEUWKCEQ-FMKLQIDGSA-N 540.504 3.067 50 40 KGGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1Cl 408686998 OEWYJUVDMJDVSW-OKMDKAJHSA-N 576.669 3.297 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 59490210 HPARLQVUXBMPCO-JVWAILMASA-N 512.563 3.009 50 40 KGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)cc1 59884803 KXUYYLFBDWBTFQ-IKQNMSGQSA-N 566.680 3.128 50 40 KGGB COc1cc(OC)c(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1Br 101655958 XJIZQNHPLUMYFI-RYIRVSIUSA-N 564.396 3.324 50 40 KGGB COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408672444 ZDFDTYACVJMEAT-GOSISDBHSA-N 537.956 3.498 50 40 KGGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1 408827684 FYJWTRCWZFETGR-YZSQISJMSA-N 509.544 3.289 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408855228 ANGMHIUDMYCPAU-LJVLJBDNSA-N 552.653 3.258 50 40 KGGB C=CCn1c(C)c(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)c2ccccc21 408923665 JXPVYHFPLUZNLH-MSXNQDMMSA-N 545.596 3.474 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCC)c([N+](=O)[O-])c2)c(OC)c1 408954924 NRWYNZJLTQIIDP-GLYJQWOCSA-N 634.440 3.485 50 40 KGGB Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC(C)C)c(C)c1 409158565 OXKRUFYYPXHQBX-OPEKNORGSA-N 503.397 3.367 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 409184179 JILHLJVBNLWAJG-TURZUDJPSA-N 551.625 3.339 50 40 KGGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Br)c1OCC(=O)OC 409232963 TYJAHUDSPUMHGA-LSFURLLWSA-N 511.398 3.049 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)c(OC)c1 408683102 HKLAHUIOEIOBRJ-CDEZGAEXSA-N 547.391 3.469 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccc(F)cc2)cc1OC 409126948 CLLGEVPDZFMEQF-LQKURTRISA-N 526.546 3.091 50 40 KGGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(OC2CSC2)cc1 409135882 WFXBSBZSQMKUOM-CCVNUDIWSA-N 557.625 3.437 50 40 KGGB COc1ccc(Cc2nnc(SCC(=O)NNC(=O)c3ccc(OC)cc3)n2-c2ccccc2)cc1 18191275 VTRLPSGGPLOEAY-UHFFFAOYSA-N 503.584 3.429 50 40 KGGB COc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=S)Nc3cccc(C(F)(F)F)c3)CC2)cc1 22840847 OQNIEOQTSQSKGI-UHFFFAOYSA-N 516.567 3.133 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 100034961 PQCQEBPKYCWNDM-RLWVUDJFSA-N 533.497 3.265 50 40 KGGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C1\C(=O)Nc2ccc(Br)cc21 103699447 ZEBNVDAQJQNYIE-UHFFFAOYSA-N 589.399 3.027 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1 408842067 NRIQNUGZZCZOHX-TWKHWXDSSA-N 564.664 3.432 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OC)cc2Br)c(OC)c1 408954941 NTLYHDBFXOGBPP-ZJAURVBUSA-N 605.442 3.195 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)c(OC)c2)cc1 409257703 ULLBRRCAUHLBCB-STBIYBPSSA-N 532.553 3.375 50 40 KGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1 28212918 XBLWVHSUMDWHCH-LQKURTRISA-N 526.590 3.075 50 40 KGGB CN1CCN(CN2C(=O)/C(=N\NC(=O)CSc3nc4ccccc4s3)c3cc(Br)ccc32)CC1 100270479 CIFSLVHJONKVAZ-MEFGMAGPSA-N 559.515 3.223 50 40 KGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccc(C(=O)O)cc1 100444469 CZGDOVQSZILSQS-AFUMVMLFSA-N 530.400 3.489 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408883042 QECDQOYDSGDYJX-HUEHPZEESA-N 578.691 3.323 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC 408965115 GGQYPNDUMNEYTG-OPEKNORGSA-N 539.301 3.406 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Br)c1O 409002002 LMSOYMLHIHOUDR-IZWKTHEGSA-N 530.379 3.264 50 40 KGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)c(OC)c1 409260399 PVRCAPZLIASFKX-LQKURTRISA-N 520.542 3.209 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408778386 SYGVTGKIMKPUEL-CVKSISIWSA-N 542.570 3.275 50 40 KGGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1 408828445 MSOUEKHDVAOPML-NXENVEDLSA-N 564.664 3.091 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408951435 IUXVBIUHROORBM-FNYQFALQSA-N 554.600 3.213 50 40 KGGB O=C(N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)OCc1ccccc1 409002305 NCFWSSZQHDEOOC-KMODQVPBSA-N 649.056 3.469 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccc(Cl)cc2)cc(I)c1OCC(N)=O 409017493 RSXCXGCALGGRKE-ZKDYBNPGSA-N 678.911 3.464 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1cccc(I)c1 409023882 DVJKGSPIUNDOSF-UDWIEESQSA-N 597.216 3.202 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409158360 SQAOEBNYLRVUFY-LTRZECODSA-N 649.269 3.369 50 40 KGGB COC(=O)C1=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(OC(C)C)c(OC)c1 2593165 YNVDDSHHONJLCM-PMUHOHFWSA-N 591.686 3.102 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O 19816770 BCSZLUMFULNMMJ-JVWAILMASA-N 527.599 3.462 50 40 KGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 28212923 VPMPDPBSEHJMDF-LQKURTRISA-N 526.590 3.075 50 40 KGGB CCCCOc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 105584746 YDRWIKHHRLRRIF-CTZOFECYSA-N 584.720 3.080 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OC 408875524 JRMWJIJRFCQBBG-UXHMZNKVSA-N 577.828 3.265 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC#N)c(Br)c2)c(OC)c1 408949279 FJHNQIVPFSEEOP-OHPKEMRTSA-N 600.426 3.080 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC 409168133 KMOPKDSNLUJEQU-OKCVXOCRSA-N 538.988 3.184 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1sccc1Br 1529546252 DQSSGXIWQIPTGS-LGWXCPLXSA-N 537.461 3.396 50 40 KGGB COc1ccc(/C=N/NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1CSc1ccccn1 655092 PXUTWRFHIDEVGO-LSFURLLWSA-N 505.354 3.400 50 40 KGGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)nc3ccccc3c2=O)cc1 2235336 MHWYKDJSJSDZJP-MZJWZYIUSA-N 518.551 3.100 50 40 KGGB O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 101469407 STTMFEOSPWXZNC-NGYBGAFCSA-N 518.074 3.263 50 40 KGGB N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br 103864380 NLFJFVCTYXXKLU-ROTLSHHCSA-N 536.224 3.445 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(I)c(OCc2cccc(F)c2)c(I)c1 164561447 KBZYKWJZHIZSOX-MYKKPKGFSA-N 623.204 3.396 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)c1C 408663789 NXAVIEYYGOBXJC-UHFFFAOYSA-N 510.772 3.442 50 40 KGGB C#CCOc1c(Br)cc(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1[N+](=O)[O-] 408954282 NGLUSVNWEABNIC-UDEUWVDHSA-N 644.435 3.098 50 40 KGGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 408972237 OBZSHQJIPGZTPE-FOKLQQMPSA-N 528.812 3.382 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409157698 WIPIMMAKZZUFNM-XODNFHPESA-N 539.416 3.401 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2 409273605 ZKMLAIJOEOJPNV-VFLNYLIXSA-N 522.945 3.161 50 40 KGGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NC[C@@H]3CCCO3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409331036 CEXNOFKKSMMKLE-BKTGTZMESA-N 542.441 3.158 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 2189785 IAMAPAHSVXTVBE-MOPGFXCFSA-N 545.371 3.467 50 40 KGGB COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c(Br)c(Br)c1O 9905821 CZGPAVSZIFMTJF-FBCYGCLPSA-N 503.103 3.363 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100328177 DDSNSNRNWTYORT-LQKURTRISA-N 557.625 3.384 50 40 KGGB O=C(Cc1ccccc1)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21 101090429 SYHOOJJUBOURAZ-LECWVWOFSA-N 560.452 3.097 50 40 KGGB COc1ccc(CC(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)cc1 408684574 NUZWUQCJGOUJOM-FVZFRCBOSA-N 543.366 3.140 50 40 KGGB O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 408748696 GNGWXFQWBWMCEX-FBCYGCLPSA-N 501.087 3.347 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408840432 GFVYWMMPMHXODE-DPNNOFEESA-N 633.683 3.287 50 40 KGGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 408945647 XGAKBEXCYSBSFE-AFUMVMLFSA-N 530.400 3.489 50 40 KGGB COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cccc2[N+](=O)[O-])ccc1OC(C)=O 409224914 NPEKFBNDDRMAON-MXAYSNPKSA-N 522.426 3.420 50 40 KGGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3cccc(OC)c3)C2=O)o1 409409045 MDIFLFOZNSTPBT-UNOMPAQXSA-N 521.438 3.295 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770017 FRCPUOJNJZNRKL-TZIWHRDSSA-N 504.568 3.152 50 40 KGGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc(OC)c1OC 408537099 UMSSXLHWLIUCIZ-DZELJBCFSA-N 638.431 3.342 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408690082 TZCAXRRDBLEQFL-SJBWEXMESA-N 578.257 3.488 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)c1 408785687 YEZDQFXZNQZGEF-JVWAILMASA-N 527.599 3.375 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 408827336 IVVUGGIZWGZFAE-UXHLAJHPSA-N 546.605 3.320 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 408908938 ZCNLUUCSUNQMIL-VULFUBBASA-N 541.457 3.301 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OC)c(OCC)c2)c(OC)c1 408921410 ABWZZOWASKFYMK-FNMFPPKFSA-N 666.469 3.427 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C 408607984 GHDQFQUDYYNYCD-KKMKTNMSSA-N 533.423 3.314 50 40 KGGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(C)cc2)cc1 409338630 NGBBFMVBBDGYIZ-SOYKGTTHSA-N 508.625 3.409 50 40 KGGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(C)=O 409376600 BRLXCBXOHSAJQZ-CZNDPXEESA-N 785.715 3.412 50 40 KGGB C[C@H](OC(=O)COCCOCC(=O)O[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060999690 GQVDEUNDXXEIMF-ROUUACIJSA-N 666.552 3.007 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 28213107 LSJZCZOPAGMVQI-JVWAILMASA-N 508.600 3.237 50 40 KGGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C\c1ccco1 97966328 XBAPCGRCXAPLRB-QNRLNTEVSA-N 554.353 3.067 50 40 KGGB COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1O 408978747 JSHXOHGPMLQVRQ-WGOQTCKBSA-N 501.992 3.438 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409158766 YWXUVSAWCWNEBP-NXUGVVLJSA-N 580.423 3.299 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)cc1 409186133 XFUWOCYCIBELMA-OGLMXYFKSA-N 554.625 3.028 50 40 KGGB COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2cccc(I)c2)cc1OC 13562719 NRWYAPWFPUUIDB-ZVHZXABRSA-N 509.344 3.163 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 19951466 BCHNSDKVCNUTTA-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(C)(=O)=O 20212376 JKAZLDBMJHLQKS-ODCIPOBUSA-N 502.774 3.056 50 40 KGGB COc1ccc(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1NC(C)=O 97981267 WTRFDDPLQWOYHS-UHFFFAOYSA-N 586.570 3.097 50 40 KGGB COc1ccc(OC)c(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 408689527 YLADSVWDEOGUHS-BZDUYGCESA-N 515.360 3.466 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1 408798887 JFZRDOCXUOKJED-KEIPNQJHSA-N 631.711 3.235 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OCC(N)=O 408806237 BHTYDFHYLQOHJJ-IREQLNLFSA-N 519.339 3.338 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409113328 HLUVRQZCSWVATM-VUTHCHCSSA-N 555.653 3.495 50 40 KGGB CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 6601238 DVRNYVBYYXNLBG-WWCBRRATSA-N 501.605 3.424 50 40 KGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)ccc1OC(=O)N1CCOCC1 33353564 GYNWLXSMNKLZSM-JOCHJYFZSA-N 563.567 3.160 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 59887796 MTNIJHROXCASHH-STBIYBPSSA-N 552.653 3.253 50 40 KGGB C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)[C@@H]1OC=CS1 100804064 UCAXXJZWJQPDLQ-ZHFITHRYSA-N 520.615 3.386 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccc(F)cc2)cc1 103896562 NNBMOKBQDWBKOK-MUFRIFMGSA-N 540.617 3.383 50 40 KGGB O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1)N/N=C/c1ccc(Br)cc1 105622391 LURJHRWDODKVRE-AWQFTUOYSA-N 534.308 3.062 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)cc1 408682818 HAXFRCOTTNHZIG-BDACHGGBSA-N 517.365 3.461 50 40 KGGB CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408770778 AEPVGCRNVMWBND-CFRMEGHHSA-N 549.403 3.008 50 40 KGGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)N3CCCC3)o2)cc1 408882970 OUXZCOQLSHZGFD-PKAZHMFMSA-N 508.600 3.052 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)c(OC)c1 408958175 XMTIUIWRZYNZOV-QWMPUUBNSA-N 560.991 3.173 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409172357 CVQJTBIQWNXDSX-PZIWGWIQSA-N 580.423 3.299 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cccc2C)cc1OC 409272452 QJHOCLAZEYAEPE-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1Cl 409272794 SKLCMUBZDJFOHS-VFLNYLIXSA-N 522.945 3.161 50 40 KGGB COc1ccccc1N1C(=O)C(=CNNC(=O)c2ccccc2)C(=O)N(c2ccccc2OC)C1=S 2285351 BHZGRAUUWIQHKE-UHFFFAOYSA-N 502.552 3.187 50 40 KGGB COc1c(I)cc(I)cc1/C=N/NC(=O)[C@H](O)c1ccccc1 6905772 FRFLCFRMCNDPOE-MRGVZLDZSA-N 536.107 3.088 50 40 KGGB COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OC(=O)c1ccccc1I 9720511 SRCZAAAPZNWDEC-SSDVNMTOSA-N 504.284 3.314 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 19956331 CQHNHYQGGDWVCI-JFLMPSFJSA-N 527.599 3.380 50 40 KGGB COc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)c(OC)c1 408783155 LNYTVDIIPYFLTL-UHFFFAOYSA-N 573.425 3.134 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cccc(Br)c2)cc1 408864468 WCBPVHNOINLRBQ-UXHLAJHPSA-N 629.533 3.341 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(O)c(I)c1 408948156 OWQGOMUVEFNURK-FQEVSTJZSA-N 720.327 3.486 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 409025584 TYSVYRQNIZNZQD-IPISDEMTSA-N 525.583 3.336 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2ccccc2OC)cc1 409028013 YNIANXQSIRCBJE-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Br)cc1 409156751 UJLORCUNCLVWMT-UVHMKAGCSA-N 543.374 3.225 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409253986 HGHQZYRFGNGUJD-VVEOGCPPSA-N 532.475 3.481 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OCC)c1 1529548752 NFTLWCPZXMNAHD-MEIHFEFKSA-N 619.096 3.176 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 105673330 GYVJAAPUBKRWOA-JVWAILMASA-N 543.598 3.075 50 40 KGGB COc1cc(/C=N\NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)N/N=C\c4ccc(O)c(OC)c4)cc3)cc2)ccc1O 408722522 VHPUMJWHJAZOON-KUUUIRGPSA-N 602.625 3.476 50 40 KGGB COc1cc(C(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)ccc1I 409093499 ABXDMVKVDTUUMT-WSVATBPTSA-N 520.077 3.440 50 40 KGGB CCOc1ccccc1N(CC(=O)NN=C1C(=O)Nc2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 409131123 JTNIAHOYPSLBFS-UHFFFAOYSA-N 512.975 3.407 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409303133 LRASUDWYFGQXBS-PMACEKPBSA-N 558.410 3.345 50 40 KGGB CCOc1cc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(Br)c2)ccc1OC 409319529 HTNGNKZKNOQSOF-AQHIEDMUSA-N 529.185 3.247 50 40 KGGB C#CCn1cc(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 1529548192 AXLYLJHUZQDVTN-RXVVTVJDSA-N 529.622 3.160 50 40 KGGB CCOC(=O)c1c(NC(=O)CSCC(=O)NNc2oc(C)cc(=O)c2C(C)=O)sc2c1CCCC2 15022103 HSRJCIZLBFJVCV-UHFFFAOYSA-N 521.617 3.083 50 40 KGGB COc1ccc2cc(C(=O)N3CCC(C(=O)NCCCOC(=O)/C(C#N)=C/c4ccc(N(C)C)cc4)CC3)c(=O)oc2c1 100036398 QDKDBMCYKUCRRV-JJIBRWJFSA-N 586.645 3.376 50 40 KGGB COc1cc(/C=C2/SC(=O)N(CCNC(=O)/C(C#N)=C\c3ccc4c(c3)OCO4)C2=O)cc(OC)c1OC 106443501 ZIJYWJJHWMSHNE-FMCYVHRKSA-N 537.550 3.201 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408957974 WSHVWXBJOMUKRN-WRXACXFYSA-N 566.611 3.379 50 40 KGGB N#Cc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)c(F)c1 408967108 PGMLHIRUBOTTNX-IFRROFPPSA-N 535.054 3.376 50 40 KGGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1nc(C)c(Br)c(COC)c1C#N 408997908 PDHRHUUFDWJQIP-OPEKNORGSA-N 533.383 3.454 50 40 KGGB COCc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)c1C#N 409008286 VEZIECZCUXKCNQ-NSKAYECMSA-N 508.512 3.307 50 40 KGGB COc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4cccc(C(F)(F)F)c4)c(=O)c(C#N)c3C)cc2c1 409057710 KSCDNDJOAKGGAC-FTCYSYDXSA-N 522.443 3.458 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409153078 KSXZZWISDDSQJY-WCMJOSRZSA-N 660.465 3.491 50 40 KGGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 15134794 RWYNNYYLVINKKE-FBCYGCLPSA-N 503.103 3.363 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)N(c3ccc(OC)cc3)S(C)(=O)=O)o2)cc1 20214877 VYYUFFDPLNKQCL-GNYKCMPYSA-N 513.572 3.437 50 40 KGGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1c(Cl)cccc1Cl 100858399 PLBJAVWIDFNWGU-FMCGGJTJSA-N 534.263 3.213 50 40 KGGB COc1cccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)c1 408779090 QWJPZYILPLXARF-UHFFFAOYSA-N 543.399 3.126 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409163164 MTBHFYYSRJTATJ-OCSSWDANSA-N 502.571 3.139 50 40 KGGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1OC 409254916 JUHADWQCEDDJOH-LQKURTRISA-N 504.543 3.373 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19956055 LFWOJVGBSASTFM-AFUMVMLFSA-N 500.508 3.397 50 40 KGGB C[C@H](NC(=O)CNP(=O)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 73297983 DPBBAFCXOXMQBB-QCDSWUKFSA-N 583.625 3.481 50 40 KGGB COC(=O)C1=c2s/c(=C\c3cc(Br)ccc3F)c(=O)n2C(N)=C(C#N)[C@@H]1c1cc(Br)ccc1F 97968616 MCWJIBCGCCNHGN-PNWYBZRESA-N 609.246 3.314 50 40 KGGB CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)c1 102688197 YUWXXQNCCFMQDR-JWGURIENSA-N 529.626 3.100 50 40 KGGB B[PH]1(c2ccccc2)c2ccccc2[C@@H](C)N1CCN1[C@H](C)c2ccccc2[PH]1(B)c1ccccc1 226346265 YRLMNMQVQCASGX-DNQXCXABSA-N 508.204 3.468 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408751603 AIUZBSNNSVUMAN-SRZZPIQSSA-N 524.305 3.491 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408813703 YJEQKIBGRBYDMU-FDAWAROLSA-N 656.739 3.438 50 40 KGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1 408866768 GMWCDBZTOYYGPS-QHFGQAMDSA-N 536.654 3.476 50 40 KGGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccco3)o2)cc1 408885319 ZHZVVKQAOAJVFK-RHANQZHGSA-N 534.594 3.339 50 40 KGGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1ccc(Br)cc1 3116160 REMOBJFWIFJQLR-BRJLIKDPSA-N 500.305 3.150 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816792 CHQDBXFJKPFPMM-JVWAILMASA-N 525.583 3.283 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 20059916 MOOPUHGNGMLHRQ-AFUMVMLFSA-N 516.507 3.097 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408770716 BDORYVYCCZQYOS-JVWAILMASA-N 527.599 3.375 50 40 KGGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 408865778 FMZIRWOXPVQNQQ-UVHMKAGCSA-N 535.409 3.203 50 40 KGGB C#CCOc1ccc(Br)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408946908 MZIPVDUISXYNEB-XMMPIXPASA-N 585.480 3.346 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(CC)CC 1529549238 WPJXINYYLVFKKY-FDBZCLHMSA-N 568.656 3.326 50 40 KGGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(C)cc(C)c2)c(OCC)c1 8452634 STFUQIWFAPKYQR-UVHMKAGCSA-N 531.407 3.234 50 40 KGGB CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(Br)cc3)nnn2-c2nonc2N)cc1 9191406 ZOFRTCCQLPMXKI-WYMPLXKRSA-N 511.340 3.215 50 40 KGGB CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC 409017404 ZDUZELSEHTYFTN-ZRGSRPPYSA-N 516.348 3.477 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409244915 KLLIVIYDJUHMIB-LSFURLLWSA-N 511.398 3.049 50 40 KGGB O=C(CNc1ccc(F)cc1)N/N=C/c1cc(I)c(O)c(I)c1 409359140 NBTSHKLYLUFPNA-IFRROFPPSA-N 539.086 3.303 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccncc3)C2=O)cc1OC 8819969 KHBHWVNLXOZQEK-HKWRFOASSA-N 514.629 3.322 50 40 KGGB O=C(CNc1ccc(I)cc1)N/N=C/c1cccc(I)c1 14134308 UEOBYTOWTCNBAT-DJKKODMXSA-N 505.097 3.458 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccccc1 20214283 KMWXSZJKGPHAFA-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 59443662 AXNMRNOFVQAFAA-WPWMEQJKSA-N 508.600 3.385 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@@H]4c4ccccc4)[C@H]3C2=O)c1)NNC(=O)c1ccccc1 408688367 QQQUYAGQDHIKKT-QRMRWVLYSA-N 537.572 3.234 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409170197 UQLJZQDWRNUGDK-OCSSWDANSA-N 502.571 3.486 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 1529548647 KSTLKRZMEIOIKF-JQKUNRSSSA-N 678.518 3.184 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(=O)(=O)c1ccc(C)cc1 20206846 CYWKZLVWIQEQLC-JVWAILMASA-N 509.584 3.429 50 40 KGGB O=C(NNC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 150452546 UTDVKYSHLACHJT-UHFFFAOYSA-N 644.584 3.447 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)[nH]c2ccccc12 408952620 WIHFNGRPRINKCP-XMMPIXPASA-N 505.600 3.361 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1Cl 409150512 CDOXVLRBTPYUOG-KQCGQVILSA-N 551.825 3.174 50 40 KGGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529546323 FBXARCQTRZQCIN-VELKRQBGSA-N 615.506 3.355 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1 1529547997 VANLMXHAMJTQTB-NYSBMRNASA-N 595.461 3.342 50 40 KGGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cc1 20214949 PSCXJMPXRFUXME-JVWAILMASA-N 511.600 3.477 50 40 KGGB CCn1c(=O)c(/C(C)=N/NC(=O)C(=O)N/N=C(\C)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc21 103506820 ACRIHHHCFOCPJW-XNSDDFDOSA-N 592.612 3.117 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(C)cc2)cc1 143444639 YBECQKLBYZQWNW-AZPGRJICSA-N 506.584 3.086 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1)NNC(=O)c1ccc(Br)cc1 408685607 LUJCVBVBWRPMOZ-VTLVALNESA-N 609.260 3.037 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1F 408860756 DKXMGPIPRWZMDZ-MZJWZYIUSA-N 532.981 3.413 50 40 KGGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 408969930 XCSMYGZYBAMOSJ-FOKLQQMPSA-N 573.263 3.491 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OC)cc1OC 1529544857 REXANWHSBWQOTM-AIZXLIHESA-N 591.484 3.351 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(O)cc1Br 1529547865 QFSWCIMTYCLACA-ALUCDORFSA-N 577.457 3.048 50 40 KGGB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 101228545 RZZDHBZNOFPSHM-LTNHHOFMSA-N 541.236 3.276 50 40 KGGB C#CCOc1c(I)cc(I)cc1/C=N/NC(=O)c1cccnc1 104612398 PPSUFYRJECRNRL-KEBDBYFISA-N 531.091 3.067 50 40 KGGB C#CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408941651 FBXARCQTRZQCIN-DEOSSOPVSA-N 615.506 3.355 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)O)c(OCC)c1 408950281 RWKFPQFBZPMEBO-XMMPIXPASA-N 605.069 3.087 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408999140 WQWREDVWYNDCAP-CFRMEGHHSA-N 521.368 3.117 50 40 KGGB O=C(O)COc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I 409228107 ZZWPKYVBQABZLN-WNFQYIGGSA-N 582.107 3.191 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1OC 409250507 MPRFZMSLFNAUQF-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(O)c(OCC)c2)cc1 409264489 GAWFKUULYUSKCI-WSDLNYQXSA-N 509.300 3.049 50 40 KGGB O=C(CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)OCC(=O)c1ccc(Br)cc1 8449618 XGUCYBSMXYOBLR-DWSJNBLDSA-N 592.078 3.343 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1C 59883859 OOPXSVNVHVPFQB-QGYJZDEZSA-N 578.691 3.323 50 40 KGGB Cc1ccc(N2C(=O)/C(=C/NNC(=O)CN(C)S(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)cc1 97980564 QQVLEUCTNUKPQT-HZHRSRAPSA-N 539.013 3.118 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)c1C#N 100544405 AWNFJXLMDFTVOS-HCGXMYGOSA-N 542.184 3.176 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408765335 XUZMPJGUAAZBAB-VMBKIOOXSA-N 604.663 3.133 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408861279 BKAYZQCSIRCNAK-WKULSOCRSA-N 606.053 3.263 50 40 KGGB C=CCOc1cccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 408939011 ATOGCHLUNUKBML-XMMPIXPASA-N 508.600 3.136 50 40 KGGB COCc1cc(C)n(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c(=O)c1C#N 408995867 BSCXMDBHESCUDB-KKMKTNMSSA-N 510.392 3.495 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 3113851 MBJRDBHGAPXABO-RWPZCVJISA-N 522.510 3.475 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)OCCO1 112256063 IRGPNVFSCSCFSJ-PZEZKDFMSA-N 566.570 3.401 50 40 KGGB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)NNC(=O)c1ccc(Cl)cc1 408665641 VDGLZNHVVDKUTA-UHFFFAOYSA-N 517.163 3.479 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409271300 ULRBCPTVHLSTIT-WKULSOCRSA-N 508.962 3.441 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547840 PRNUATLJBMXIMR-STNFJLQYSA-N 663.547 3.285 50 40 KGGB Cc1ccc(S(=O)(=O)NNC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c(C)n(C)c3ccccc23)cc1 9096591 DDPKINGYSPSJHJ-AREMUKBSSA-N 502.596 3.350 50 40 KGGB CCOc1ccc(-c2c(C(=O)N/N=C(C)/C=C/c3ccc(N(C)C)cc3)nnn2-c2nonc2N)cc1 9111134 SATQWORCUXNOKI-MHPPXLGUSA-N 501.551 3.183 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(C)cc2)cc1OC 19955675 JPBLUDYFIYSURS-WPWMEQJKSA-N 510.616 3.424 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc(Br)c1OC 59436992 BLZVRXQWMKKOCD-LSHDLFTRSA-N 518.817 3.344 50 40 KGGB COc1cc(/C=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)ccc1OCC(=O)N1CCCC1 96398862 RLJWWFRCTXSXQH-XLNRJJMWSA-N 514.586 3.178 50 40 KGGB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 250255441 PZQVEXOIVNBRCZ-YIMZLLHESA-N 664.259 3.318 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 408610277 NEJCOKVBOOVLCO-OPEKNORGSA-N 519.396 3.067 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@H](Cl)C[C@H]4C3=O)cc2)cc1 408685875 MCMMNXWDWABPFO-WTGUMLROSA-N 533.364 3.383 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408687942 PRBPKVHYWOBPJR-SYQHCUMBSA-N 550.631 3.052 50 40 KGGB Cc1c(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(Cl)nn1-c1ccccc1 408893151 KTYFHIKCVGWCKW-SIMFPYGHSA-N 627.148 3.048 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OC(C)=O 408953273 XHIAPSAVNNDNDX-HSZRJFAPSA-N 589.468 3.259 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 20060881 YBVOQFUJXZMJDW-JVWAILMASA-N 527.599 3.375 50 40 KGGB CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)CO/N=C(\C)c1ccccc1 20572999 IDPUWUJOLNLZRG-LGBKSJOCSA-N 515.570 3.036 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59443849 IJLLBSVYVAITLS-WPWMEQJKSA-N 526.615 3.124 50 40 KGGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408532991 IZJYEPWJJKXXSV-RXJBCPCZSA-N 595.353 3.158 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OC 408760948 BDRRQGNMJAHSBY-FINLKQIMSA-N 573.453 3.460 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 408862904 NPLVDRQTZDPLAQ-KTCKORJGSA-N 572.865 3.348 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC#N)c(I)c1 408943074 GXYAFIXLOHWXDB-QHCPKHFHSA-N 633.468 3.079 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408957843 WKXRUSGHSXLMBS-UHBQPSNTSA-N 647.479 3.120 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409252947 AFLMULIGFQEVII-OGLMXYFKSA-N 502.527 3.366 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1OC 409264282 QILFWCXJPXSRQY-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408651045 AOISJMAPVLXGFU-IBGZPJMESA-N 529.977 3.044 50 40 KGGB CCN(CC)c1ccc(/C=N\NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409075277 YHZTVGOVGSTAHI-ZMGVVAQMSA-N 603.636 3.097 50 40 KGGB O=C(N/N=C/c1cc(Br)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1O)c1ccc([N+](=O)[O-])cc1 2072672 ONRXXGSQNPLSGD-DHSUVYDUSA-N 555.301 3.499 50 40 KGGB CCOC(=O)C1=c2s/c(=C\c3ccc(SC)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(SC)cc1 2239989 VMZFRDYMBJQAHK-MSTPFNHUSA-N 521.689 3.344 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1C 8384608 UWUKQYRAOSYZQY-QHFGQAMDSA-N 536.654 3.476 50 40 KGGB COc1ccc(/C=N/NC(=O)COc2ccc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)cc2)cc1OC 9427675 YHWBRPVIAFPESE-QSXCDPBRSA-N 520.542 3.014 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccccc1Br 97964119 WRIIFRZOORMYFG-CVKSISIWSA-N 559.442 3.383 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 103897897 IMKHSDONMYNKKB-VUTHCHCSSA-N 581.651 3.484 50 40 KGGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)N4CCOCC4)cc3)cc2)S(C)(=O)=O)cc1C 408831838 WWJLBBBGVAFEEI-ZCTHSVRISA-N 578.691 3.271 50 40 KGGB COc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2OC)cc1 409159509 QRNCOALWRWPPCU-FJEPWZHXSA-N 630.439 3.401 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409162676 GYAUZKXLWJFFGR-GOCYDNRNSA-N 575.460 3.227 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 16285055 SHBJWVWTZZNJRG-DICXZTSXSA-N 509.632 3.440 50 40 KGGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1 20213621 UQPXSCHKWSGZGO-LQKURTRISA-N 524.599 3.148 50 40 KGGB N#CCC(=O)N/N=C1/C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)[C@@H]1c1nc2ccccc2s1 102947967 ANNQCDWSZQAHJE-ZSNDQIPUSA-N 500.323 3.215 50 40 KGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408530300 DXMNLCJEBRJFML-KZJCWCHPSA-N 517.929 3.136 50 40 KGGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 408862740 ISSQPFQRMNQFKQ-NOGJRMETSA-N 552.653 3.256 50 40 KGGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 408882675 NMMYEPNVBXXUAX-UXHLAJHPSA-N 549.653 3.255 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)c(OC)c1 408953788 MQYRXTDMJOSRTM-UZXICYFGSA-N 633.054 3.019 50 40 KGGB COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(I)c1O 408748784 HIHDZECDLWHIQR-QGMBQPNBSA-N 522.080 3.374 50 40 KGGB CCOc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(SC)cc2)cc1 408784953 DQPOFTHXQVZMDN-UHFFFAOYSA-N 524.624 3.475 50 40 KGGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2OC)cc1 409169382 PXFVNHLHFMADKJ-XAZZYMPDSA-N 658.449 3.375 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1Br 1529547725 OKHMVSSVGDLLNR-PXYXSCDOSA-N 531.432 3.334 50 40 KGGB O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O[C@@H](CCl)CNCc1ccccc1)c1ccccc1 4352853 ZUAJUCVCIVWSBY-RBZQAINGSA-N 539.968 3.463 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20231913 HGRVIERYYBMVER-MFKUBSTISA-N 512.544 3.266 50 40 KGGB CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)ccc1OCC(=O)N1CCOCC1 97981061 GODVGKMJKZYRLL-DEDYPNTBSA-N 535.416 3.424 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408687012 OHAJFGUWKQUBRR-JQLYTQCRSA-N 628.314 3.148 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)Cc2ccccc2)cc1 408819947 ZNSZXRHRANJXDE-ALQBTCKLSA-N 644.710 3.143 50 40 KGGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408863485 OQNCOAORQOOZBH-CPHRPENTSA-N 514.785 3.135 50 40 KGGB COc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccccc2)cc1Cl 409329571 GCDQQELBQGZUON-SLEBQGDGSA-N 512.975 3.041 50 40 KGGB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)NNC(=O)c2ccccc2Cl)C1)NNC(=O)c1ccccc1Cl 102986027 WHJKGDANXYWEDE-HZPDHXFCSA-N 535.432 3.388 50 40 KGGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408536887 SZOCBUVHWCQWCA-VUBFGCEASA-N 521.961 3.191 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408747447 OAVCRMOSUUDPJO-SSDVNMTOSA-N 512.300 3.014 50 40 KGGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408837773 NIGXYFVBWLKHMT-NDZAJKAJSA-N 543.605 3.445 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1 408866360 FGOWRJHRSICHNG-FDAWAROLSA-N 573.631 3.453 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408951438 IUXVBIUHROORBM-IRSOAJISSA-N 554.600 3.213 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025876 ZEUXQDVAJFYAHK-OGLMXYFKSA-N 557.625 3.465 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409150839 FFNVVTQGPMOMFT-MFYUCYCASA-N 537.400 3.073 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409303139 LRASUDWYFGQXBS-WOJBJXKFSA-N 558.410 3.345 50 40 KGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc(Br)ccc1O 16479443 SADOBNFGDJFLES-ZVHZXABRSA-N 502.390 3.496 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 59443725 BUXKOLMUQGYIAC-OVVQPSECSA-N 508.600 3.037 50 40 KGGB COc1c(/C=N/NC(=O)c2cc(=O)n3ccsc3n2)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 100238999 IETJIGPAHQYILA-VZRWKNKGSA-N 579.566 3.141 50 40 KGGB COc1cc(C(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)ccc1I 101751623 SXHOHTBIQVIOMH-MSXFZWOLSA-N 552.394 3.119 50 40 KGGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)cc1 408531862 HJZYFGBBHGOGNJ-FUSDPXDGSA-N 501.474 3.001 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408683999 NZIXSNMMPREPJC-MXMMTARNSA-N 607.093 3.017 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c(OC)c1 408957766 VTVPRTCJKMNPHV-FCRNLXMDSA-N 538.601 3.450 50 40 KGGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1 409127004 CPFXWNOGSZJUAL-OEAKJJBVSA-N 520.352 3.032 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)cc(C)c3)c2)cc1OC 409256051 JHTZAXKJLIQBQO-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1 409263159 HSOIUESQOHKVFV-WKULSOCRSA-N 524.961 3.141 50 40 KGGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2I)[C@@H](C(=O)OC)C(O)=N1 17029222 MJAXWZKFQKEIAT-LSDHHAIUSA-N 500.314 3.166 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 58927595 XIVRNSLPYSZNKB-JFLMPSFJSA-N 513.547 3.032 50 40 KGGB Cc1cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 100121194 LEQRVZALDHQNED-FUGGPRTCSA-N 623.732 3.447 50 40 KGGB COc1ccc(CC(=O)N/N=C\c2cc(I)c(O)c(I)c2)cc1OC 101768770 NULWJYIEDUPIQR-UKWGHVSLSA-N 566.133 3.311 50 40 KGGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cccc2OC)cc1 408604272 HYPSERZPEDUGHX-KRWDZBQOSA-N 522.533 3.357 50 40 KGGB CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 408609593 KHNXYTXYGODPRU-IPBVOBEMSA-N 514.888 3.361 50 40 KGGB Cc1cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc(C)c1Br 408665699 VZDNLQKARKBWBY-UHFFFAOYSA-N 510.772 3.442 50 40 KGGB Cc1c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)ccc(Br)c1Cl 408681741 INKINICXCXOUNL-KDUYVYEGSA-N 521.589 3.464 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408728594 PLZNEOJIYYHSEW-OGLMXYFKSA-N 569.596 3.306 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408861420 ACJPBHRJHTZJNQ-JVWAILMASA-N 537.554 3.160 50 40 KGGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1)S(C)(=O)=O 409122739 BHGYXZXRNKQDEO-SXLHCEKXSA-N 578.691 3.399 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1OC 409250380 KPQWYBHBWSJFCJ-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 409269114 FIIUFONENYCQIR-AKHCIFGASA-N 531.009 3.064 50 40 KGGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCC(=O)N3CCCC3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409316757 QVTUNDFJBHXXFO-ZWKOTPCHSA-N 512.415 3.485 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 409371561 HPQXSKQPZJPMGG-VULFUBBASA-N 514.535 3.392 50 40 KGGB Cc1ccc(Sc2ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1 2662791 KACZLEMGMQVGEV-UHFFFAOYSA-N 528.612 3.445 50 40 KGGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2cc(Br)ccc21 59087071 UCMNOPQIHVQCER-OQLLNIDSSA-N 501.406 3.451 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1C 100101679 RXEMYFVOBZLCEB-MTDXEUNCSA-N 551.625 3.394 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)cc3C)o2)cc1C 408869195 RZUXIUVUNLCXNM-QDTIIGTASA-N 509.950 3.202 50 40 KGGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)N2CCOCC2)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409063467 LIMOHWLMZKOPGK-XSFVSMFZSA-N 507.547 3.224 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409149110 XPEMDXYBQJPRGQ-OGLMXYFKSA-N 557.625 3.465 50 40 KGGB N#C/C(=C/c1cc(I)cc(Br)c1OCC(=O)O)C(=O)NC1CCCC1 409188761 AGOHUGHKQMFGGO-WZUFQYTHSA-N 519.133 3.483 50 40 KGGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409317667 RDDNRKFTDBZFJO-WOJBJXKFSA-N 503.964 3.119 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)cc1OCC 1529548392 FKDQESCVJVYURX-FDBZCLHMSA-N 540.642 3.369 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 19855708 YSSIMMSTMTXHDJ-UHFFFAOYSA-N 506.628 3.393 50 40 KGGB COc1ccc([C@@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 20094989 VASJXEDXRILEHW-CLJLJLNGSA-N 516.579 3.387 50 40 KGGB COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc(OC)c1OC 36235340 ZPJDEIACKFNQCX-XBNGYGLISA-N 503.511 3.362 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1 59920880 SMJOBPTUOFFTLO-OEAKJJBVSA-N 510.410 3.017 50 40 KGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1 408866766 GMWCDBZTOYYGPS-NRXPLXKSSA-N 536.654 3.476 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cccc(I)c2)c(OC)c1 408958186 XOVILHWFSHQRPN-SHIRAINQSA-N 592.390 3.020 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1OC 409171736 GDNNGNCUFLNEGK-OKCVXOCRSA-N 583.439 3.293 50 40 KGGB COc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)c2ccc(C(C)(C)C)cc2)cc1 977608 LMEAWNAXZLLCPX-UHFFFAOYSA-N 527.624 3.478 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)C(C)C)cc1 6190646 CECWGMHKTCMQSE-DEOSSOPVSA-N 518.570 3.172 50 40 KGGB Nc1nnc(CC(=O)N/N=C/c2cc(Br)ccc2OCCOCCOc2ccccc2)s1 13799981 IEXFJBMAGXKHEG-ZVHZXABRSA-N 520.409 3.050 50 40 KGGB COc1c(Br)c(C[C@@H]2CC(C(=O)N/N=C\c3ccccc3F)=NO2)c(OC)c2c1OCO2 36556696 YKHKXJRRXBHSCC-RPXFMWLUSA-N 508.300 3.172 50 40 KGGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NC(C)(C)C)o2)cc1 58951169 PVKASJDLOBVPHP-YUMHPJSZSA-N 510.616 3.344 50 40 KGGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccccc3OCCOc3ccccc3)s2)cc1 408973313 YHFAJVPNGOPIKH-MTDXEUNCSA-N 531.594 3.950 50 40 KGGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 409001544 JACLRTQWNDLIIB-FATVPAFBSA-N 639.503 3.184 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409151135 AGANJAZVIUNSBL-KIBLKLHPSA-N 584.798 3.008 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccccc2)cc1 409185640 NTCCAHVMBDGWRO-TWKHWXDSSA-N 564.664 3.432 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](C(=O)c3ccccc3)C(N)=C(C#N)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 102092474 FGLGJKKNZZNLNP-JWQCQUIFSA-N 531.550 3.287 50 40 KGGB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1O 408532935 NDRBSCKIZUGVKP-PXLXIMEGSA-N 500.555 3.261 50 40 KGGB O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408685803 ROIUNUFEKCGQEG-KMXFUTBESA-N 841.230 3.376 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3Br)o2)cc1C 408876900 RNODHUSHDQCTAB-WKIKZPBSSA-N 540.374 3.003 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCC#N 408948479 PCIJPKCPJNVGPZ-HSZRJFAPSA-N 616.494 3.245 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(OC)c1 409266302 QKAPWVAHJHPJNK-RWPZCVJISA-N 508.506 3.339 50 40 KGGB COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2cc(OC)c4c(c2)OCO4)C(C#N)=C(N)O3)cc1OC 2145888 RYTMXGPYUOCDSB-XMMPIXPASA-N 517.538 3.372 50 40 KGGB biogenic COC(=O)COc1c(Br)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 9204614 UBAOUWZDGKWWEB-LSHDLFTRSA-N 514.170 3.465 50 40 KGGB COc1c(C[C@H]2CC(C(=O)N/N=C/c3ccccc3F)=NO2)c(Br)c2c(c1OC)OCO2 15083016 PVQDIYSOPCYSBD-CCIGYEQYSA-N 508.300 3.172 50 40 KGGB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)NNC(=O)c4ccccc4)CC3=O)cc2)cc1C 408657333 JLMLIXWPSQYFKE-OAQYLSRUSA-N 501.539 3.453 50 40 KGGB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)c1 408676768 ACYCLLOIXYHJKU-QYRJXPSASA-N 517.365 3.461 50 40 KGGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 408743524 ATOOHBPFQLBCBE-ZSOIEALJSA-N 522.295 3.406 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)o2)cc1 408869988 UQLSNXILJMOVNI-JEPNHJGPSA-N 675.720 3.061 50 40 KGGB CCOC(=O)COc1c(I)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408943625 HXIRPXLILIAJPR-RUZDIDTESA-N 710.547 3.127 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 409145558 QUSMTVVAWXIJNT-ZCTHSVRISA-N 615.108 3.322 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cc(C)ccc1C 409158233 XACZAHPFFPIPGS-IBBHUPRXSA-N 546.580 3.215 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(OC)c1 409254546 IVMHKJBFRYKFAT-OCSSWDANSA-N 518.570 3.186 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1 409260423 QCVGUTRVXWEFKO-RWPZCVJISA-N 518.998 3.138 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 19816826 NIHXQPUGNYQHRY-JVWAILMASA-N 525.583 3.144 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2cc(C)cc(C)c2)cc1OC 100304502 RVUXQFMRVXAUBU-LQKURTRISA-N 539.610 3.437 50 40 KGGB CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408688924 RIAHASVJQPFTQO-UZNKMTRFSA-N 565.626 3.298 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 408712054 XPIIRHHVHDMSSE-ZVBGSRNCSA-N 594.143 3.220 50 40 KGGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3cc(Br)cc(Br)c3O)C(=O)NC2=S)cc1 408756923 USBRGWNBNIRPDW-CJNHFMNGSA-N 554.220 3.005 50 40 KGGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2OC)cc1 409254175 DBTWYMXLSDTSKX-OCSSWDANSA-N 518.570 3.186 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(Cl)cc2)cc1 409331497 OIOJOKNBABGBOR-SLEBQGDGSA-N 512.975 3.041 50 40 KGGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12 409381967 JFNVUKWRMONAEV-MOSHPQCFSA-N 537.414 3.434 50 40 KGGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)c1 409160064 PKLPUXFMKMFZMZ-RWPZCVJISA-N 504.543 3.427 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1OC 409164129 CTJQOWBRMJSQML-OKCVXOCRSA-N 538.988 3.184 50 40 KGGB CNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2c(Cl)cccc2Cl)c(OC)c1 408607987 GIMCYJJFAPGGFK-LIMNOBDPSA-N 536.153 3.382 50 40 KGGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1ccc(Br)c(Cl)c1 408683781 MDRLXRGKAKURJF-QJPVEVLHSA-N 507.562 3.155 50 40 KGGB COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC(=O)O 408978782 KCHHLJXOHPCBTQ-PSZYXBCASA-N 525.583 3.027 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OC)cc1Br 1529548277 ZRTDAZDTIWFAMD-AIZXLIHESA-N 591.484 3.351 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OC 1529549090 SOIHQJVUFKCIEE-MYQKJCMASA-N 552.653 3.317 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 20059914 SSIKXRVJRVEEBQ-AFUMVMLFSA-N 516.507 3.097 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(Br)c2)c(OC)c1 408949526 FPVFALXEDLHNGJ-ZMKIWGOUSA-N 712.348 3.492 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2cccc(Oc3nc(Cl)ncc3F)c2)c(=O)c1C#N 409067014 ISGHRVIHBKLJAB-IJFXDBOGSA-N 563.771 3.462 50 40 KGGB COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2CCCCC2)c2ccc(Br)cc21 2384931 JVEPBTFLQXMUQU-ROMGYVFFSA-N 501.381 3.147 50 40 KGGB Cc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)cn1 15135079 BTTOACPNICBMIL-CNHKJKLMSA-N 507.069 3.069 50 40 KGGB COc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCC(=O)NNC(=O)C4CCCCC4)o3)cc2)cc1 100372899 OPDQTIYSAVAGOX-UHFFFAOYSA-N 545.643 3.366 50 40 KGGB O=C(NCc1ccccn1)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100398315 LRUKXFADVOBATC-LJUMEUDFSA-N 566.039 3.486 50 40 KGGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)Nc2ccc(OC)cc2)cc1 408609865 LUFLIGYIEPFGLI-LQKURTRISA-N 504.543 3.373 50 40 KGGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1ccc(Br)c(Cl)c1 408683783 MDRLXRGKAKURJF-XOKVJCJLSA-N 507.562 3.155 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2O)c2cc(Cl)ccc2OC)cc1OC 408777517 BCSPFRKIIJOFOP-VULFUBBASA-N 533.990 3.417 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 1529549180 UMYWTNGMTBBILW-CYUILNSLSA-N 510.616 3.360 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 408773226 QATNQIRFBRGFHO-MZJWZYIUSA-N 564.016 3.426 50 40 KGGB NC(=O)Cn1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)c2ccccc21 409385009 HNJQJIYOZYKAMT-NYAPKIOYSA-N 508.170 3.181 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OC 1529547819 PICJXHLDAFRRMB-FDBZCLHMSA-N 522.627 3.309 50 40 KGGB CN(C)CCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 2793841 IHDVMFRZIWLRKZ-ZBFHGGJFSA-N 503.982 3.257 50 40 KGGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc([N+](=O)[O-])c1OC(=O)N1CCOCC1 59677176 WDGMRCXCIQOZTK-HXUWFJFHSA-N 534.481 3.149 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)O 408874229 AHXLDCKVVAVPGA-SAMQYFKISA-N 635.864 3.110 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(O)c(Br)c1 408952127 VMCPJGVXRZIWDH-OAQYLSRUSA-N 547.431 3.040 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCC#N)c(OC)c1 408958181 XOCUGSHYLOHXEB-SOVLZJSYSA-N 630.452 3.089 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409164620 LASHNYLCUIMSJO-LUOAPIJWSA-N 610.792 3.330 50 40 KGGB COC(=O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Br 409372748 IMRQFUOIFAKUKM-NKVSQWTQSA-N 529.141 3.364 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC(C)C)c(OC)c1 1529546667 GHNFAWQZUHTEAQ-HHSRISMTSA-N 540.642 3.367 50 40 KGGB C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN(C)C)c2ccc(Br)cc21)c1ccc(Br)cc1 100257299 HWZYSLQTPXNVKL-PTKWJCDDSA-N 551.239 3.338 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408827563 KMJQWKLZKTVNGU-MUFRIFMGSA-N 569.636 3.218 50 40 KGGB O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409021095 XVKOCGJNIVXRGM-OPEKNORGSA-N 500.766 3.414 50 40 KGGB CCOC(=O)C1=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2C(N)=C(C#N)[C@@H]1c1c(F)cccc1Cl 2372143 ZEDJLXJRSNZDCF-ZTXRYZOMSA-N 534.371 3.486 50 40 KGGB CSCCOC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 59646683 GTQRONFGEQWCJQ-WPWMEQJKSA-N 586.648 3.225 50 40 KGGB O=C(NNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)c1ccc(Br)cc1 103002310 PFNJRGJEOJANAO-UHFFFAOYSA-N 532.372 3.096 50 40 KGGB CCOc1c(I)cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1OC 408753571 NMLRYVBLTOHGLL-FINLKQIMSA-N 573.453 3.460 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccccc2)cc1OC 408772037 MQHYGOVZXUOAKY-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)cc1OC 408867426 MFWVHWOQFXYWQU-VULFUBBASA-N 502.568 3.167 50 40 KGGB Cc1cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)ccc1Br 409156696 UFAMKTKKTGTSRX-VFLNYLIXSA-N 567.396 3.270 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]23)OCCO1 112255762 HLHKRCDLTNTBPZ-TYVAEJKXSA-N 535.600 3.488 50 40 KGGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2nnc(-c3cccc(Br)c3)n2C)c1O 1815604 BYCLQJAGSDDTLF-ZVBGSRNCSA-N 521.353 3.109 50 40 KGGB CN1CCN(CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3Cl)c3cc(Br)ccc32)CC1 100270379 GAELRENEHHNRCE-PLRJNAJWSA-N 525.234 3.442 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 101005735 UNJULXFVZINXCH-UYRXBGFRSA-N 530.584 3.055 50 40 KGGB C[n+]1c(COc2ccc(/C=N\NC(=O)CCC(=O)N/N=C\c3ccc(OCc4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21 150407143 PQBWJZUNHOXOQG-HLQQZESDSA-P 644.736 3.380 50 40 KGGB O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1cc(Br)ccc1O 408729163 AWRMZKGNNVNXTL-ZVBGSRNCSA-N 539.209 3.714 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1O 408862985 OAYLFWXGWGCHTF-UXHMZNKVSA-N 577.828 3.352 50 40 KGGB COc1cc(I)c(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC 408989058 JPCNWBLCBJFNGZ-KYEFCJKTSA-N 577.379 3.019 50 40 KGGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409376610 BTGZBCGMMPPGGF-FCHUYYIVSA-N 602.383 3.249 50 40 KGGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 9461825 KCUGXONIRXEAQO-NUGSKGIGSA-N 502.278 3.269 50 40 KGGB CCCCN(CCCC)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])/C(C)=N/NC(=O)C[N+](C)(C)C 17211465 UOAMPZWVUJHLKD-VIHXGXMLSA-O 522.627 3.158 50 40 KGGB N#Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(I)c2)c(F)c1 408968310 VFZAMMONPQBJMO-QPJQQBGISA-N 593.090 3.134 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409136525 XDDTUSHHKBZXKT-MUFRIFMGSA-N 617.633 3.220 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 59443670 CXIBFSCMNQFJFW-JVWAILMASA-N 524.599 3.003 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(C)cc2)c1 408776742 QFWNYAIECUJGLX-CVKSISIWSA-N 513.572 3.072 50 40 KGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1 408862297 GQCVNRNXPKYKBY-YZSQISJMSA-N 509.544 3.289 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529548508 HVTIASOZNMWOCZ-FDBZCLHMSA-N 540.642 3.369 50 40 KGGB O=C(CCCC(=O)N/N=C/c1cc2c(cc1Br)OCO2)N/N=C/c1cc2c(cc1Br)OCO2 2099938 AUIFTLRPTAEPGR-IQEGOQEASA-N 582.205 3.440 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770089 RZWBEOULEGRCOP-UNMCSNQZSA-N 518.595 3.461 50 40 KGGB COc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1OCc1ccccc1 97965366 HCDDAKHGYBMQAQ-MIXAMLLLSA-N 601.523 3.493 50 40 KGGB Cc1cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1 100121228 AUOYHDIZLCUVQR-HIQWWTPOSA-N 605.742 3.308 50 40 KGGB CCn1c(SCC(=O)NNC(=O)c2cc(OC)cc(OC)c2)nnc1-c1cc(Cl)ccc1OC 408639790 ZMTLZKBBFWHRIK-UHFFFAOYSA-N 505.984 3.198 50 40 KGGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3cc(Br)c(O)c(Br)c3)C(=O)NC2=S)cc1 408762824 MJFAQFKKRMXFPQ-ZCPIVJHDSA-N 554.220 3.005 50 40 KGGB Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1 409154145 JWNVGUXQHRRVBO-RPPGKUMJSA-N 503.397 3.306 50 40 KGGB Cc1cccc(NC(=O)CN2C(=O)/C(=N/NC(=O)C(=O)Nc3ccc(Br)cc3)c3ccccc32)c1 1884904 FAKMMTZNDGLAFI-QUPMIFSKSA-N 534.370 3.202 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409322374 JRGFTUHGHQSPHH-YADHBBJMSA-N 574.453 3.254 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OC)c(OC)c1 1529546095 CQGVUTGGEJFJIJ-YDHBKFOLSA-N 547.033 3.242 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 100284600 IGOMXVPYANOOQN-CCVNUDIWSA-N 605.025 3.463 50 40 KGGB C[C@@H](C(=O)Nc1ccc(I)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102239563 HEQHKAOHQZEJFX-UMUBVNPOSA-N 596.057 3.396 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408686687 NOLSKERYYGWTTI-JXYJOFSCSA-N 609.260 3.037 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(Br)c1OCC(=O)O 408711892 PFLSVWFRQFWFFJ-DNTJNYDQSA-N 533.116 3.290 50 40 KGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1 408921093 SDWZRCUPRQTNHO-DDBXXPGKSA-N 552.653 3.085 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OC)cc1OC 1529544858 REXANWHSBWQOTM-VVKUOSDESA-N 591.484 3.351 50 40 KGGB O=C(N[C@@H](C(=O)N/N=C\c1ccc(Br)cc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 33899811 FFSPIKVWLGQHMM-WZRHPCBOSA-N 504.344 3.307 50 40 KGGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 100145460 ZCBIYVFTWWFLPL-ZTKZIYFRSA-N 580.688 3.142 50 40 KGGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103558607 VOZLIOSVTCAVIP-CGXNFDGLSA-N 519.311 3.376 50 40 KGGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccc(OC2CSC2)c1 103593042 DPSPPNCWLYDOMA-CCVNUDIWSA-N 557.625 3.437 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1O 408948654 PROKOWAMVFLKMT-FQEVSTJZSA-N 720.327 3.486 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OC)c([N+](=O)[O-])c1 1529547113 IULZEVABCIDUOP-RLKVMJCBSA-N 653.455 3.093 50 40 KGGB COc1ccc(CC(=O)NNC(=O)[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)C(C)C)cc1 6190644 YMQQUEVHQUCPAZ-SANMLTNESA-N 532.597 3.101 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O 59443677 RDXSUZHFLHKDSP-JVWAILMASA-N 524.599 3.091 50 40 KGGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100141681 SFDYBHUPSMVIAT-MBTHVWNTSA-N 529.018 3.385 50 40 KGGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 102401747 XBAPCGRCXAPLRB-OYRZBBJHSA-N 554.353 3.067 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c(OC)c1 408843741 RWLOPWNHBDDUHM-RWPZCVJISA-N 575.043 3.291 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c(OC)c1 408923704 KKCPPLWVUXVIBR-RQDDCGEVSA-N 605.442 3.195 50 40 KGGB C#CCOc1c(I)cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC 409124882 LEJNTSMZTFREDX-LJQANCHMSA-N 503.340 3.432 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)c(=O)c1C#N 409206208 NEEQDAGPEGHSAW-KALUYTGESA-N 527.331 3.046 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCCCC2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409313775 DDELGWKBNNEPES-WOJBJXKFSA-N 536.448 3.331 50 40 KGGB C[C@H](OCC(=O)O[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000186 YVCZDCCLMQIGIV-YESZJQIVSA-N 636.526 3.379 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(I)c1OCC(=O)O 20195293 UOYMMDRQJAGOOG-FOKLQQMPSA-N 510.328 3.463 50 40 KGGB COc1cccc(NC(=O)CN2C(=O)[C@]3(C(C#N)=C(N)N(N(C)C)C4=C3C(=O)CC(C)(C)C4)c3ccccc32)c1 98009043 IMYWHKMMEJZATI-PMERELPUSA-N 540.624 3.048 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 100302312 NIGIOHQJOHYYJL-OGLMXYFKSA-N 543.573 3.350 50 40 KGGB COc1ccc(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)cc1S(=O)(=O)Nc1ccc(C)cc1 102995233 JWIKSBXKMWYZOK-UHFFFAOYSA-N 566.665 3.300 50 40 KGGB O=C(N/N=C\c1cccc2ccccc12)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408721944 NEVBPXQCEJXJJQ-UTDXIZSJSA-N 562.673 3.054 50 40 KGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 408864790 ZHPWSFZICPLDBA-MUFRIFMGSA-N 543.045 3.260 50 40 KGGB CCOc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1O 409124309 AWSOBNHHLDTYTD-LQKURTRISA-N 573.624 3.171 50 40 KGGB O=C(N[C@H](C(=O)N/N=C/c1cccc(Br)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 13784904 URFDMCCXPYXRIE-WMPMWDHYSA-N 504.344 3.307 50 40 KGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1 150448529 GSRCKEUJUVEQJZ-UHFFFAOYSA-N 690.760 3.169 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1)NC1CCCCC1 408831543 ZTOSKCQBLCOUNF-AFUMVMLFSA-N 501.381 3.366 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NC[C@H]4CCCO4)cc3)cc2)cc1 409129236 JCFFAPWBQKACDL-TYBAKLTESA-N 564.664 3.258 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1 409255739 IOLHRCAANRTLLC-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409318787 YDEPXQBCDGGNDF-FGZHOGPDSA-N 507.568 3.145 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cccc(Cl)c2)cc1 409339706 KVHCJIWWUVIZKC-SLEBQGDGSA-N 512.975 3.041 50 40 KGGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccc(OC)c(OC)c1 705437 INGWNHWXCUCEJM-WGOQTCKBSA-N 549.671 3.396 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 58927645 OSICZPSMKAOTIH-HZHRSRAPSA-N 518.573 3.409 50 40 KGGB COc1cc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)ccc1OCc1ccccc1 97965364 NQDWCGWKDMKAMP-MIXAMLLLSA-N 601.523 3.493 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/Cc2cc(Br)cc(OC)c2O)c1C#N 100544458 MYEZRDPIRNOIGW-ZXKDJJQISA-N 556.211 3.371 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)o2)cc1 150410243 YANXXPLTODCHQQ-NETJCWARSA-N 650.735 3.337 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(I)c1OCC(=O)O 408748349 CFKRNAFRGYECNK-FSJBWODESA-N 519.295 3.318 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408782146 WFJCHXOZKBQQJK-JVWAILMASA-N 525.583 3.283 50 40 KGGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2OC)cc1 409151847 HUVIKKLZHJULCX-XODNFHPESA-N 604.401 3.239 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccc(Cl)cc1 409349620 VTIQXDQXESDODH-ZZIIXHQDSA-N 527.002 3.431 50 40 KGGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(OC(C)=O)c(OC)c3)C2=O)o1 409406080 AESIOOVTTYMOKM-ODLFYWEKSA-N 579.474 3.220 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Br)cc1 1529544473 JJSMMTINVFDIFA-PXYXSCDOSA-N 531.432 3.334 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2C(F)(F)F)c1CSc1nc2ccccc2o1 2734259 SJRREYOHTWTHCQ-JQAMDZJQSA-N 529.464 3.449 50 40 KGGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc(I)cc(I)c1O 8405856 JANYNVBOCJRIHG-IFRROFPPSA-N 608.565 3.059 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 28213441 HTMKHUNJLUILMT-JFLMPSFJSA-N 512.563 3.068 50 40 KGGB COc1ccc(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)c(OC)c1 408678806 DDQBTSUKZNAFAX-IGQFXSRTSA-N 515.360 3.466 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccccc1Cl 408680086 CZOLFTSZRHSNJE-RWQQGDIJSA-N 552.798 3.072 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(O)cc1Br 408949016 QFSWCIMTYCLACA-QFIPXVFZSA-N 577.457 3.048 50 40 KGGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(I)c(O)c(I)c1)OCc1ccccc1 408990096 MLIAKXJEAXWBPV-TXIUCGALSA-N 659.222 3.312 50 40 KGGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409164926 PTRHWOPETBHPLI-VFLNYLIXSA-N 567.396 3.270 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1cccc(C(=O)O)c1 409251272 ULKXGGBLGQOFDT-CHHVJCJISA-N 535.294 3.069 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 409266466 ZAEXGPPGWRQHFJ-VFLNYLIXSA-N 522.945 3.161 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Br)s1 1529545920 BYCZTMYGJZZOSA-LCLGRWFKSA-N 537.461 3.396 50 40 KGGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(S(=O)(=O)O)o2)cc1 4077644 GEPPYEUNVHVIDY-ORFLIVQWSA-N 510.572 3.294 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)C(C)C)cc1 8694330 YARHIZGRSPFLCH-MHZLTWQESA-N 562.623 3.109 50 40 KGGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)[C@@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 104606855 WPVIAKSVNNIBLP-SVBPBHIXSA-N 546.605 3.396 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 408728142 IBHHFTWWWJSOPN-PCLIKHOPSA-N 528.543 3.053 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(C)cc2)cc1Br 408861785 AMUFSIAHRLZEHQ-FDAWAROLSA-N 659.559 3.349 50 40 KGGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(Cl)c2Cl)c(OC)c1 8452609 QXWDQQAMRWGQGB-LUOAPIJWSA-N 590.258 3.385 50 40 KGGB CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 20230596 FGXADEJSQKMXIE-JOCHJYFZSA-N 505.575 3.497 50 40 KGGB C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCC(=O)NCCc3ccc(O)c(O)c3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100779194 FSMRLDDRGQABHK-VUBTUKPXSA-N 604.697 3.184 50 40 KGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408532121 ICVSJIXUFYBBIK-MMOHFDRGSA-N 562.380 3.245 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OC(C)=O 408763492 FVWXWSDYHYMICD-LHXREVONSA-N 601.463 3.377 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 408868109 NJRUCFPARZDTIO-JFLMPSFJSA-N 512.563 3.068 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409127180 QHDDBDVFIBFZGY-JFLMPSFJSA-N 531.562 3.206 50 40 KGGB COc1cc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 23410610 DLGUFXOBPVDLDS-JVWAILMASA-N 511.600 3.362 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)OCCO1 112255758 HLHKRCDLTNTBPZ-UXCHKTDDSA-N 535.600 3.488 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc4ccccc34)o2)cc1C 408881122 HWNJUNFFMADCAT-UHBFCERESA-N 511.538 3.393 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCC#N)cc1Br 408943531 HTGGEQNQTVUJSQ-DEOSSOPVSA-N 616.494 3.245 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1OC 409120049 UNHYUMMKGVVONV-RDRPBHBLSA-N 568.652 3.055 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OCC 409229204 LEALLBMOCOSNJX-MSXFZWOLSA-N 528.318 3.464 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C)c2)c(OC)c1 409251173 OQWOUVXGAVFZQF-HURLIOHXSA-N 519.396 3.148 50 40 KGGB O=C(N/N=C\c1cc(Br)cc(I)c1O)[C@@H]1COc2ccccc2O1 13563690 OVBJTNMQSQABFP-FDFSMXBESA-N 503.090 3.049 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)c2cc(Cl)ccc2OC)cc1OC 20231868 KMHLUKMSVJHPPB-VULFUBBASA-N 518.979 3.106 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1OC 409186278 ZVVNKRBEAZXVCA-FSJBWODESA-N 514.373 3.078 50 40 KGGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2)cc1 102982898 RIFMGASPOVVXSS-YZSQISJMSA-N 539.570 3.005 50 40 KGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 102998986 YHZGFGJYOGQABJ-UHFFFAOYSA-N 570.583 3.371 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)cc2)cc1 162399011 CPXMACDGZFCLFW-WTAXBKJTSA-N 675.789 3.227 50 40 KGGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1Cl 408678020 BGDMTPKGYLLHBL-CRWXNKLISA-N 550.631 3.052 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2Br)o1)C(=O)Nc1cccc(Cl)c1 408805042 COFCFGXIDCETFK-ZRGSRPPYSA-N 546.765 3.039 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc(I)c1OCC(=O)O 408875522 JQZFWKIELRRUIR-FRKPEAEDSA-N 566.348 3.394 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(Cl)cc2)cc1 408925847 QZKYMPSRLXHTHZ-OGLMXYFKSA-N 588.042 3.439 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409257338 QDMQHGXZMVRMRM-OCSSWDANSA-N 518.570 3.186 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)ccc1OC(C)=O 409381997 JSCVADNCRUKULV-HEVIKAOCSA-N 785.715 3.032 50 40 KGGB CC(C)N1C(=O)/C(=N/NC(=O)CCCCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)c2ccccc21 13581701 YGQDYGMJZATIOU-YESHOFFLSA-N 516.602 3.098 50 40 KGGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(I)c1OCc1ccccc1 59463231 SWODLBMZOBKDKN-YDZHTSKRSA-N 510.328 3.482 50 40 KGGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCC(=O)O 103883572 BZWRQJWVWHPLAL-BOPFTXTBSA-N 547.349 3.019 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)c1 408777692 GDQIPHOWVREBJG-VULFUBBASA-N 511.556 3.087 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)Cc2ccccc2)cc1OC 408805898 IBTOOSZYYLCQMX-UXHLAJHPSA-N 626.713 3.117 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2sccc2Br)c(OC)c1 408958190 XQNSHJHACUWCNV-LIOPFRDXSA-N 551.419 3.239 50 40 KGGB COc1cc(C(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)cc(OC)c1OC 2675578 IFMYHUHUFUKXKO-UHFFFAOYSA-N 513.142 3.324 50 40 KGGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(C)S(=O)(=O)c3ccc(NC(C)=O)cc3)c2C)cc1 16692071 QYCFMWNBEWDITA-YUMHPJSZSA-N 525.631 3.222 50 40 KGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c1 100131849 MIHUKJNTCAUSAA-MTDXEUNCSA-N 551.625 3.394 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408762928 NCUNRSQASSSBLC-SRZZPIQSSA-N 524.305 3.491 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC#N)c(I)c1 408943067 GXYAFIXLOHWXDB-HSZRJFAPSA-N 633.468 3.079 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409157208 QIMDWGXGHFMXCW-WKULSOCRSA-N 640.475 3.097 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cccc1C 409257559 SXINXWWFBYUEFE-KWJLSGNOSA-N 503.397 3.448 50 40 KGGB CN1CCN(CN2C(=O)/C(=N\NC(=O)c3cccc4ccccc34)c3cc(Br)ccc32)CC1 20132668 QVPCESKGSRCLNU-VYIQYICTSA-N 506.404 3.288 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 59490192 RPMXOVJJTVOPBH-WPWMEQJKSA-N 513.547 3.341 50 40 KGGB COc1ccc2cc(C(=O)N/N=C3\NC(=O)[C@H](CC(=O)Nc4ccc(Br)cc4)S3)sc(=O)c2c1OC 100971755 QGVRLMIFSADQIA-INIZCTEOSA-N 591.465 3.302 50 40 KGGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408534032 KUWCCPHJXMKRPC-WMIHPGJUSA-N 521.892 3.346 50 40 KGGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 408783168 KVEUACDSJXGLRQ-TURZUDJPSA-N 562.608 3.128 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)O)c(I)c1 408953804 YESCPSVBNJPBOW-JOCHJYFZSA-N 778.363 3.244 50 40 KGGB COC(=O)COc1c(Br)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC 409017262 YDWLKSHZGXHKAV-GATIEOLUSA-N 502.321 3.087 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1OC 409165514 YYKLZRURLLFUIG-VTNSRFBWSA-N 562.623 3.156 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 409255338 HJGYUHFNNXFGDC-RWPZCVJISA-N 508.506 3.339 50 40 KGGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)NCCc2ccc(O)c(O)c2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 105382609 FSMRLDDRGQABHK-UAXSAYDSSA-N 604.697 3.184 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409257039 NOGMIRZREVUVGX-YPXUMCKCSA-N 512.872 3.114 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ccc1OC(C)=O 409376603 BRLXCBXOHSAJQZ-SAIUNTKASA-N 785.715 3.412 50 40 KGGB C#CCn1c(C)c(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 1529548513 IBCHTGYWVGVBJR-YFURQYOFSA-N 543.649 3.468 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccco3)s2)ccc1OS(=O)(=O)c1ccccc1 59222149 QJHOYJPBWHJJDT-MFKUBSTISA-N 555.594 3.243 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 59885457 AVJTTWZTNVHBSR-MOCCXMHUSA-N 594.690 3.023 50 40 KGGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)CSc1nc2ccccc2[nH]1 101006220 PUOTZOMJWWOJHJ-ODLFYWEKSA-N 555.663 3.213 50 40 KGGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 409003171 YJXBNROWCUORDT-RGXNXFOYSA-N 574.659 3.359 50 40 KGGB COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)=O 409221884 BJJCFTGZAAVPFW-MXAYSNPKSA-N 522.426 3.420 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409253917 YMDGLBCYWNWRJO-NXUGVVLJSA-N 533.423 3.457 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409376845 DICPQYTXETXMFK-IZZNHLLZSA-N 613.579 3.446 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1O 1529547981 UNIWCTLVFPYUPU-NRDUTDNZSA-N 508.600 3.006 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@@H]1c1ccccc1OC 2312456 AAPYCGNFECCVTL-FCHUYYIVSA-N 546.001 3.475 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)S(=O)(=O)c1ccccc1 408872531 FWRNTNOPYTUXNE-FDAWAROLSA-N 576.631 3.329 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c(OC)c1 408923730 KYVKUYTWMXKZGR-RMTFRRHQSA-N 545.596 3.433 50 40 KGGB C#CCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408952638 WJHYYGHTAZCRLN-XMMPIXPASA-N 632.480 3.188 50 40 KGGB C#CCOc1cc(Br)c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408954780 ZRKGPADKEOIXPS-VWLOTQADSA-N 615.506 3.355 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OC)c(OC)c2OC)Cc2ccccc2)cc1C 409369415 MWLKFOUPIJKEDN-NTFVMDSBSA-N 541.626 3.371 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(C)(=O)=O)cc1Cl 20213211 INQZFFZMUXWORF-FSJBWODESA-N 506.924 3.433 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408778667 WAEHZXWCWYZIOZ-MFKUBSTISA-N 512.544 3.266 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(Br)c2)c(OC)c1 408949522 FPVFALXEDLHNGJ-SGKVZYEOSA-N 712.348 3.492 50 40 KGGB CCCOc1c(I)cc(/C=N\NC(=O)COc2nc(C)cc(COC)c2C#N)cc1OC 409006019 GZWNEZRQIGJTAS-GATIEOLUSA-N 552.369 3.339 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Br)cc1C 409158482 OSTOYIRRMBFNGB-CCVNUDIWSA-N 563.449 3.165 50 40 KGGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccccc1[N+](=O)[O-] 408598854 KMTJEWXPOLSVGA-REZTVBANSA-N 537.051 3.274 50 40 KGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC2CSC2)cc1 408825784 GGBLLKMHVCGZKL-AFUMVMLFSA-N 526.596 3.435 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Cl)c1OCCOCCOc1ccccc1C 408972864 WJYAVPCXZAYHMR-JFLMPSFJSA-N 534.038 3.648 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409112891 GWFBKMCJUAMEBH-LQKURTRISA-N 573.624 3.084 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409303600 NPCRXIIJGSNBKJ-FGZHOGPDSA-N 507.568 3.200 50 40 KGGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1 409376269 WNUZKHWJTAJYEY-VQTJNVASSA-N 545.331 3.290 50 40 KGGB Cc1cc(Br)c(OCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c(Br)c1 4017827 SFMAKAAIYABKIC-UHFFFAOYSA-N 512.114 3.280 50 40 KGGB COc1cc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)ccc1OCc1ccccc1 39986650 IAUCBCJEEMELAZ-YUMHPJSZSA-N 511.600 3.362 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 100343983 MCUVEHUZGWESKT-OGLMXYFKSA-N 612.621 3.002 50 40 KGGB Cc1cc(Br)c(OCc2ccc(C(=O)NNC(=O)CCCNC(N)=O)cc2)c(Br)c1 102995180 FJGJUBHJMADLJJ-UHFFFAOYSA-N 542.228 3.309 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)cc1 408676912 AMZWJBOUWNYTFO-QYRJXPSASA-N 545.375 3.239 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)c(OC)c1 408683103 HKLAHUIOEIOBRJ-ONOFXPIZSA-N 547.391 3.469 50 40 KGGB Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408877630 WKJFSUXKEQRRBA-PPDIBHTLSA-N 516.341 3.239 50 40 KGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1C(=O)O 2314558 DOLIZNCGVFAHJT-AFUMVMLFSA-N 530.400 3.489 50 40 KGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1 59886632 BMDDUZCXRBGLCA-FNVGFWRISA-N 544.674 3.218 50 40 KGGB CCN(CC)Cc1c(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C)c(OC)c2)nnn1-c1nonc1N 97966636 OPEHSVRRIUBQTL-VFLNYLIXSA-N 612.489 3.497 50 40 KGGB COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)C(=O)N/N=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)o2)c1 102142522 RJQNBAWJQNXASC-CBTGBURPSA-N 542.504 3.380 50 40 KGGB C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1)c1ccccc1 408868154 MOGJKBJFQAWKAF-SQOYCZJHSA-N 530.368 3.169 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c(Br)c1 408954204 YTSLXNYZCUEMDZ-QFIPXVFZSA-N 561.458 3.343 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2O)c(OC)c1 408958388 YKDAGKZDKCPNOL-NEQBJYQUSA-N 687.285 3.488 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCC(C)C)cc2)c2ccc(F)cc2)cc1OC 409112008 BGVIVDDAUKQQDY-VTNSRFBWSA-N 600.669 3.340 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3F)NC(=O)[C@H]2C(=O)OC)cc1 409304067 PPVSFYHOJAXDQQ-UXHICEINSA-N 576.400 3.484 50 40 KGGB CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)o1 58951174 IZTPNNNMKQOQOG-PKAZHMFMSA-N 510.616 3.298 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Br)c1OCC(=O)Nc1ccc(Br)cc1 97958860 VZBIGNDKRLNVFC-KBKYJPHKSA-N 584.265 3.460 50 40 KGGB CC1=C(C#N)C(=O)N(C[C@@H](C)O)C(=O)/C1=C\c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 97959565 LTGGHAXEKBUFTE-AXLWCPOOSA-N 524.580 3.177 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OC)c1OC 408948741 DNJOKXVCZPNPEO-ZLLCIIDXSA-N 566.611 3.161 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N(CC)CC 408952704 WPJXINYYLVFKKY-RUZDIDTESA-N 568.656 3.326 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OC(C)=O)c(OCC)c2)c(OC)c1 408954097 NADCZTZFQQUSHX-AMLSOKQWSA-N 694.479 3.344 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)ccc1OCc1ccc(I)cc1 408992500 SDXJOYYOACPNGS-FMCGGJTJSA-N 558.214 3.415 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409260660 UGRFEKWJCKNOKL-NXUGVVLJSA-N 533.423 3.457 50 40 KGGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409376611 BTGZBCGMMPPGGF-FGZHOGPDSA-N 602.383 3.249 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1ccccc1OC(C)C 1529548881 OWNASZNWBOYUGN-GMSRUEHWSA-N 510.616 3.359 50 40 KGGB COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)c1 59960380 QUOPMMOTQHSHQC-GBYSFBBLSA-N 504.543 3.049 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(I)cc2)c(Br)c1 103864287 BDUWXOBWFKUEBL-FMCGGJTJSA-N 558.214 3.415 50 40 KGGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 408759890 NLXYLTSDGHMRGY-YDZHTSKRSA-N 511.541 3.481 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Br)cc1 409169441 QVBROIVWRBQYLB-AMVVHIIESA-N 597.422 3.361 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)cc1 409259634 BSUNCNSLPKJESP-STBIYBPSSA-N 532.553 3.375 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770049 PDNWJYYXMLXUQI-IFMALSPDSA-N 534.594 3.161 50 40 KGGB CC(C)c1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 31885686 WVOUTXGEYQQHGQ-IWIPYMOSSA-N 507.454 3.029 50 40 KGGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)cccc2OC)cc1 408608946 IQJUOYNMPPMRAJ-CTOFZRSPSA-N 504.543 3.049 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1cc(Cl)cc(Cl)c1 408862537 FVFLIOVKELIOJI-QPSGOUHRSA-N 523.192 3.401 50 40 KGGB COC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408999977 WKYRFQGYASRAKB-QRQIAZFYSA-N 544.029 3.276 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OCC)c1 1529549010 RWKFPQFBZPMEBO-CGGVTCGFSA-N 605.069 3.087 50 40 KGGB C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(OC)c1O 15930436 WWLBMOMEHGNYIC-GMJSKMFWSA-N 512.548 3.296 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 16268536 AXVXYHQXNVDLQD-WGARJPEWSA-N 516.023 3.477 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3-c2ccccc2)cc1 102993583 IDHMPDQHZQPCLZ-UHFFFAOYSA-N 617.713 3.498 50 40 KGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 138299286 XHEDATBIDLFRSD-WEMUVCOSSA-N 541.652 3.010 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408686422 NCGULPZEFMAEHM-DMAQGEDHSA-N 628.314 3.149 50 40 KGGB CC(C)C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688916 RIAHASVJQPFTQO-AZFUDACUSA-N 565.626 3.298 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408780297 XAMAOPAGACCFLL-JVWAILMASA-N 527.599 3.375 50 40 KGGB COC(=O)COc1c(I)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 408845535 KHPXVVCOZADQHV-YVNNLAQVSA-N 508.268 3.362 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OCC(=O)OC)c1)S(=O)(=O)c1ccc(C)cc1 408863195 QBLMNTXUESCRIU-OGLMXYFKSA-N 539.610 3.291 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)c(OC)c1 408925541 UQNNEJJLAVLDDU-WYVORDNDSA-N 590.589 3.462 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(Br)cc2)c1 409381197 DOEFLDJWDCFPPM-VXKWHMMOSA-N 583.391 3.363 50 40 KGGB CC(C)N1C(=O)/C(=N/NC(=O)CCCCCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)c2ccccc21 100840564 GJJIHXOXOQIHQP-RPZUVYPISA-N 530.629 3.488 50 40 KGGB N#Cc1ccccc1COc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1I 103864526 IWPGHXIWEOHMSI-ROTLSHHCSA-N 583.224 3.287 50 40 KGGB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)c1 408676766 ACYCLLOIXYHJKU-BDACHGGBSA-N 517.365 3.461 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)c(Cl)c1 408682312 KUMZVNTYQJQQIR-DQOWRFHUSA-N 627.511 3.362 50 40 KGGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OC 408922724 GPJNSIHQOCKZFN-QWMPUUBNSA-N 605.442 3.195 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(I)c2)c(OC)c1 408952881 KUEYTWQCVHBXJV-OPLYUBKWSA-N 792.321 3.088 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccccc1C 409153538 LZFCABZBLBISGG-VVEOGCPPSA-N 644.422 3.121 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)c1 105410441 NJZFGEDGJPZOKV-UHFFFAOYSA-N 527.400 3.425 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408691145 YLZKERGPBWTYKD-RDGPPVDQSA-N 552.798 3.072 50 40 KGGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OC2CSC2)c1 408861916 FDYHMRRUFZZJSP-AFUMVMLFSA-N 526.596 3.435 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)O)c(I)c1 408953806 YESCPSVBNJPBOW-QFIPXVFZSA-N 778.363 3.244 50 40 KGGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1)c1ccccc1 409027968 WBENZKVEOUYQGX-DVQSINOTSA-N 634.496 3.464 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409169134 PZGYLHZJXDGLFT-PASSITCSSA-N 580.423 3.381 50 40 KGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)cc(Br)c2OCC(=O)O)n1 409239799 QNIKUMSGFHEYNI-CGOBSMCZSA-N 579.214 3.166 50 40 KGGB COc1cccc([C@@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC 2223674 PZHGVRVERWNHKI-JOCHJYFZSA-N 508.600 3.292 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)c2ccc(OC)c(OC)c2)C(C)C)cc1 6190645 OWNMAASCJHTXEK-VWLOTQADSA-N 548.596 3.180 50 40 KGGB C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccc(I)cc1 59857715 GZFFUVIPENHIFP-UDWIEESQSA-N 550.216 3.360 50 40 KGGB O=C(C[C@H]1SC(=O)NC1=O)NNC(=O)Cn1c2c(sc1=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 101261986 FEMXHYOTOSALFU-AQOWARIPSA-N 579.125 3.105 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 409270713 HKDAQJBSFRLUQR-VFLNYLIXSA-N 522.945 3.161 50 40 KGGB O=C(CCC(=O)NNC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2 13942260 QOPKMEORYWZBHW-UHFFFAOYSA-N 516.554 3.104 50 40 KGGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1 100145434 CXXSWBXWGHFGAE-TWKHWXDSSA-N 594.715 3.450 50 40 KGGB O=C1C(NNC(=O)c2cccc(O)c2)=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)C2=C1CC=CC2 101081056 BKMSQVNRWRKLKY-OOAXWGSJSA-N 528.384 3.332 50 40 KGGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1 408609019 IZTROHISAFCOOD-OPEKNORGSA-N 525.787 3.105 50 40 KGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)S(C)(=O)=O 408863619 TXQRQWKFEHNKOH-OCSSWDANSA-N 557.072 3.302 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 408866928 KCEKEVRWMPZZQB-RWPZCVJISA-N 575.043 3.291 50 40 KGGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(I)c1OC 408925572 UWXJEKFKJSQKKY-RQDDCGEVSA-N 652.442 3.037 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408973543 UAWHKWRJJSWVGF-MMOHFDRGSA-N 513.591 3.006 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 409000147 MQTMYEVTPSGMLZ-RWPZCVJISA-N 506.490 3.109 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 409264412 LFIRSKVNFFWXNG-OKCVXOCRSA-N 518.570 3.105 50 40 KGGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(Br)c2)cc1OC 409322620 KZPNAZGHXXGGCN-VROXFSQNSA-N 541.196 3.413 50 40 KGGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409388210 SVJKTCXRJAYUAL-WKIKZPBSSA-N 528.325 3.398 50 40 KGGB Cc1c(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 105583604 HOTHUWKEWALODY-OCSSWDANSA-N 591.715 3.324 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Br)cc1C 409153486 IDMGVTYPQORCFJ-KKMKTNMSSA-N 543.374 3.143 50 40 KGGB CCN(CC)Cc1c(C(=O)N/N=C/c2cccc(OCc3cccc(Cl)c3)c2)nnn1-c1nonc1N 2206010 CHEQJUVEUAVMPQ-UVHMKAGCSA-N 523.985 3.071 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770119 ZMGQMGBYOAIFLO-IRLDBZIGSA-N 534.594 3.161 50 40 KGGB C[C@@H](NC(=O)CNP(=O)(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 73297994 DPBBAFCXOXMQBB-FYBSXPHGSA-N 583.625 3.481 50 40 KGGB COc1cc(OC)c(N(C)S(=O)(=O)c2cccc(C(=O)NNC(=O)CSc3nnnn3-c3ccccc3C)c2)cc1Cl 150427288 HTEAZEQCNGCGHZ-UHFFFAOYSA-N 632.124 3.020 50 40 KGGB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)c1 408676799 AGOPKVAVFDDFBZ-ONOFXPIZSA-N 547.391 3.469 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)cc1Cl 408682245 KOSGNMSCOYWLDO-DQOWRFHUSA-N 627.511 3.362 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408690266 UQMBFIYKNUGOKJ-USZNOCQGSA-N 571.049 3.397 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)cc3C)S(C)(=O)=O)cc2)cc1 408837613 JVDIRVVFBDZIRR-LQKURTRISA-N 538.626 3.246 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(C)c(C)c2)cc1 408838356 VIZURZWYAPVSBU-ZCTHSVRISA-N 578.691 3.195 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C)c(Br)c2)c(OC)c1 408926691 ZESXFGZOYMGIOE-VVKUOSDESA-N 559.417 3.486 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409111804 CGSCKCCXHJDAGQ-STBIYBPSSA-N 587.651 3.474 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C 409164607 KXMJNTRRTCLQTO-OGHOLPNDSA-N 642.878 3.415 50 40 KGGB CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(N(CCCl)CCCl)cc1 5390541 KDPPJJVVEQTIIW-KMDXXIMOSA-N 573.610 3.037 50 40 KGGB COc1ccc(Br)cc1/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cc(Br)ccc1OC)C=2C#N 101005570 RJJADXABHHGLON-UHYAINTBSA-N 600.292 3.403 50 40 KGGB CC(C)(COC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](OC(=O)c1cccnc1)C(C)(C)COC(=O)c1cccnc1 195795038 MEFAKOINNJLWFO-MAZIBIHTSA-N 975.116 3.410 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc1Br 408678478 FOUSTEXSGLCPQH-XRWATXQWSA-N 607.093 3.017 50 40 KGGB COc1ccc(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)c(OC)c1 408678805 DDQBTSUKZNAFAX-BZDUYGCESA-N 515.360 3.466 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1Cl 408787319 XNFNWSKMTPPGPY-MYKKPKGFSA-N 525.370 3.162 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2cccc(C)c2)cc1 408866933 IMPVEJPICXVLHW-ICLYNSGKSA-N 578.691 3.323 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1 408944147 IMNHSMQOESISSL-MHZLTWQESA-N 594.694 3.289 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC)c([N+](=O)[O-])c1 408950690 SGKTYVKDPQMJRJ-OAQYLSRUSA-N 606.455 3.251 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 409144156 NITUITWQAQBIFF-LQKURTRISA-N 573.624 3.171 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1 409253819 YJSCDWSAPMLGFH-DKZNWEEVSA-N 509.788 3.485 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409386125 LGQZFZOYGCRJRZ-IZZNHLLZSA-N 721.455 3.158 50 40 KGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1 20060814 IDXNQABMUQRBBQ-PMFZIYJTSA-N 519.620 3.111 50 40 KGGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1 20213443 QDNXWISECAWCPH-ZVHZXABRSA-N 503.378 3.198 50 40 KGGB C[n+]1c(COc2ccc(/C=N/NC(=O)CCC(=O)N/N=C/c3ccc(OCc4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21 150407153 PQBWJZUNHOXOQG-DITNJDIQSA-P 644.736 3.380 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 408864373 ZHQVNMHGBQLHTH-ODZASTSJSA-N 578.691 3.323 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccccc3)cc2OC)cc1 409161067 VWLLCMYFIFQCHL-UXHLAJHPSA-N 502.571 3.084 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccccc1Br 1529547723 OKHMVSSVGDLLNR-AXDLBROPSA-N 531.432 3.334 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770018 FRCPUOJNJZNRKL-CTNGQTDRSA-N 504.568 3.152 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1cccc(I)c1)S(C)(=O)=O 408768139 CHFLLDAMIKDMBP-CIAFOILYSA-N 535.791 3.260 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC)cc1)S(=O)(=O)c1ccc(C)cc1 408856391 GRRZIQJVPCQOFF-OGLMXYFKSA-N 539.610 3.291 50 40 KGGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408956273 QJFRFDNLOCCFKG-SDEFACTDSA-N 599.438 3.190 50 40 KGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)c(OCC(N)=O)c(OCC)c1)c1ccccc1 409002655 OYBUVLVZLQJCKB-NPSPNJCMSA-N 535.395 3.040 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)c(OCC)c2)cc1 409256055 JHZNSJZPUYASHP-ZCTHSVRISA-N 530.581 3.434 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccc(Cl)cc1 28213292 NIYGAYIJHJGLOG-CVKSISIWSA-N 521.039 3.084 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 211033768 HSTJKHNTBRYMFM-PCLIKHOPSA-N 557.541 3.256 50 40 KGGB O=C(NN=Cc1ccc(-c2ccccc2C(=O)O)o1)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 245228009 XRHSKTNIDSEEDY-GIXVNYRQSA-N 514.450 3.203 50 40 KGGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Cl)cc1Cl 408537361 VMORXCLOWQQVFT-OFOCJOHBSA-N 545.120 3.213 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccc(F)cc1 408878068 WEJRPEBHGHAHCD-MZJWZYIUSA-N 532.981 3.413 50 40 KGGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1Cl 408732355 VAPTYKBQTQMGHT-WPWMEQJKSA-N 514.003 3.495 50 40 KGGB C#CCOc1c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 408954867 ZWBYNMDJHZVNSM-DEOSSOPVSA-N 615.506 3.355 50 40 KGGB COc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(=O)O)cc1OC 409309828 MXWKVGKMMSCVTR-WNFQYIGGSA-N 516.142 3.456 50 40 KGGB CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)nnc1-c1ccc(OC)c(OC)c1 9019421 RYEKKWOVZQTKDT-DHRITJCHSA-N 515.592 3.250 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409376601 BRLXCBXOHSAJQZ-JHOUSYSJSA-N 785.715 3.412 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816781 GHPFVFCOWDPFQZ-VULFUBBASA-N 511.556 3.087 50 40 KGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408532112 ICVSJIXUFYBBIK-KZJCWCHPSA-N 562.380 3.245 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)Cc2ccccc2)cc1 408802358 DMYGSGODMPYZCZ-RDRPBHBLSA-N 580.688 3.408 50 40 KGGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1OC 408893813 NHVHUZFTIYOPER-DHBSWXANSA-N 546.624 3.159 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cccc(I)c1 408944632 JEEBYXVHRAUIMA-NRFANRHFSA-N 578.432 3.176 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(CC#N)c2ccccc12 1529549169 UFYGKWWIESDHDE-OJESGLHMSA-N 544.637 3.358 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19956115 WIWLMSJISQWHQB-WGOQTCKBSA-N 525.587 3.323 50 40 KGGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1ccc(I)c(O)c1 59426185 LVFIBRRCCWPQOB-UBKPWBPPSA-N 506.050 3.137 50 40 KGGB COc1c(/C=N/NC(=O)c2cc(=O)n3ccsc3n2)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 100238997 IETJIGPAHQYILA-LKHGECOASA-N 579.566 3.141 50 40 KGGB N#C/C(C(=O)NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C(/O)c1ccc([N+](=O)[O-])cc1 102042192 GPBDFTBKFDEOPP-RQLKGUEOSA-N 506.474 3.311 50 40 KGGB COc1ccc(OC)c(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccc(C)cc2)c1 408778341 DWQWOTRDGGSZRR-UHFFFAOYSA-N 587.452 3.443 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OC)c(OC)c1 408953023 LGNKRVHNHGOFFH-JTCJDYCESA-N 605.442 3.195 50 40 KGGB O=C(CSn1nnnc1-c1ccccc1)N/N=C/c1cc(Br)c(O)c(Br)c1 408732004 NYHSKGKQKPWUMJ-UFWORHAWSA-N 512.187 3.217 50 40 KGGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)cc1 408778644 JJJYIYXGCHQJIJ-KSEXSDGBSA-N 539.795 3.263 50 40 KGGB COc1cc(I)c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC 408989057 JPCNWBLCBJFNGZ-IZWKTHEGSA-N 577.379 3.019 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1 409249475 JIEGIQYEWGZGAQ-RPPGKUMJSA-N 513.348 3.135 50 40 KGGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)c1 409378367 OUCRCKBHLZRCKU-BOPFTXTBSA-N 500.349 3.241 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 19949769 ABEQQIJPXHBXSX-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332890 TVNRJHJCDOMWKB-WZBUGIMLSA-N 531.602 3.330 50 40 KGGB O=C(NNC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 98001507 KYKKJJWZZCBRAN-UHFFFAOYSA-N 692.644 3.437 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc(C)c1Br 408685066 QATWSGYABBMHFR-ZEKOBOIGSA-N 621.120 3.326 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 408860971 JUJYENUTNCXPJN-UZWMFBFFSA-N 557.632 3.122 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1cccc2ccccc12 408877118 PYCNFUJJHZNBBH-MUFRIFMGSA-N 534.594 3.044 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC(=O)[C@H]2C(=O)OC)cc1 409318514 YLRFJDZXVKQAKE-RTWAWAEBSA-N 507.568 3.200 50 40 KGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1 409318788 YDEPXQBCDGGNDF-VXKWHMMOSA-N 507.568 3.145 50 40 KGGB O=C(NNC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1 409379674 ZLJIDJPBOXTIKT-IZZNHLLZSA-N 595.564 3.236 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409382446 MXSPNPAMSBHJSC-FCHUYYIVSA-N 538.940 3.254 50 40 KGGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(Br)cc21)c1ccc(F)cc1 1314861 YAIKEVIXMKMQOU-DVLVBLQFSA-N 564.415 3.307 50 40 KGGB Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)Cc3ccccc3)n2C[C@H]2CCCO2)c(C)c1 6195503 FOJRPEYRRPCQCT-OAQYLSRUSA-N 508.648 3.168 50 40 KGGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4cc(C)cc(C)c4s3)cc2)CC1 8683774 AVFUJRZKCHGNOF-UHFFFAOYSA-N 517.633 3.133 50 40 KGGB COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc(OC)c1OC 98001451 WSURCWITKIMZRT-IPPBACCNSA-N 617.396 3.416 50 40 KGGB CCOC(=O)C1=NO[C@H](Cc2c(/C=N\NC(=O)c3cc4cc(F)ccc4[nH]3)c(OC)c3c(c2OC)OCO3)C1 100238633 ZSOHTBNYCBXIQM-FMKLQIDGSA-N 540.504 3.067 50 40 KGGB C[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101228504 JZSHMHJIFVMRNU-WIHUYKBSSA-N 547.627 3.232 50 40 KGGB O=C(N/N=C/c1ccccn1)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C/c3ccccn3)cc2)cc1 102978267 PFJFRIKSJKZKOK-KQEGLSSTSA-N 566.574 3.161 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(I)c1 1529548154 YESCPSVBNJPBOW-UGZOUUKJSA-N 778.363 3.244 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNS(=O)(=O)c3ccc(Cl)s3)cc2)cc1 2643403 BJKOOFVMAUPBSU-UHFFFAOYSA-N 514.050 3.154 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 59443824 SUQMANNLFWMTDJ-YZSQISJMSA-N 510.572 3.296 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(I)c1OCCOc1ccccc1C 97966379 MKGWRSHSCKIDQC-WYMPLXKRSA-N 567.409 3.193 50 40 KGGB N#Cc1ccccc1COc1c(I)cc(/C=N\NC(=O)CN2CCOCC2)cc1I 164561866 AVEJAEUZQDCKGO-ROTLSHHCSA-N 630.224 3.129 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1)NNC(=O)c1ccc(Br)cc1 408686689 NOLSKERYYGWTTI-VTLVALNESA-N 609.260 3.037 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 408688219 WNUXEKYFBAVGDG-YMKLRKBFSA-N 583.060 3.253 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccccc2C)cc1 408855961 FJSXZXMXBYWZBV-ODZASTSJSA-N 578.691 3.323 50 40 KGGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OC)c2)c1 408903835 ABRZCTTXSSQHSH-RMORIDSASA-N 526.327 3.163 50 40 KGGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408919185 UNITVCKDHDZZIG-FSJBWODESA-N 555.325 3.390 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409272474 QMLWXPQISYKMRH-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 6073810 ZAOQJIZBQXSYBM-RDRPBHBLSA-N 568.652 3.055 50 40 KGGB CCOc1c(Br)cc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 12539046 UAGBPNWCLJGOGQ-MRXNPFEDSA-N 510.772 3.385 50 40 KGGB CCCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 20197962 CZTNKZWIVSGKMX-SSDVNMTOSA-N 512.300 3.316 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)c1 28212877 ZFHDXNWVMVTWLO-OGLMXYFKSA-N 522.627 3.244 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 105992172 UFAJJDGNFDCGCI-IPPBACCNSA-N 533.541 3.211 50 40 KGGB CC(C)(C)C1CCC(=NNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)CC1 408883626 RSOGZTRGHNJDJQ-QBGQUKIHSA-N 560.742 3.459 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccc(OC(C)=O)c(Br)c2)c(OC)c1 408957951 WOTMRQPXKAYQSO-KMAYDHNJSA-N 603.426 3.103 50 40 KGGB CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409028810 TWCAOVKDHBUDQL-HYARGMPZSA-N 528.416 3.054 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccccc1Cl 409156872 UWGTWKMOULULBP-OPEKNORGSA-N 584.798 3.090 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(C)cc2)cc1 59858741 QZVIHNXGPGNEPS-HUEHPZEESA-N 594.690 3.023 50 40 KGGB COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC 100317305 PLZXNORIVGHADP-OKCVXOCRSA-N 577.594 3.435 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1OC 103899983 AZFAOPDPXFLLCR-JVWAILMASA-N 557.581 3.203 50 40 KGGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)OCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 250255435 PZQVEXOIVNBRCZ-XLQOOHLRSA-N 664.259 3.318 50 40 KGGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cccc2OC)cc1 408603815 HDFFJEIFTDMVIC-SFHVURJKSA-N 504.543 3.218 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 408611649 RKSKNYCIXJCBCE-UVHMKAGCSA-N 533.423 3.458 50 40 KGGB COc1ccc(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(OC)c1 408676584 ATZSWEQYORWHEW-KPIIRZJKSA-N 515.360 3.466 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408680164 DKVLVEYTLZJLGB-NDBYEHHHSA-N 550.631 3.052 50 40 KGGB C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc2c(c1)OCCO2 408922522 BSNMJQZVLPCXSC-BRJLIKDPSA-N 505.902 3.436 50 40 KGGB C#CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408941652 FBXARCQTRZQCIN-XMMPIXPASA-N 615.506 3.355 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 409139400 AFRATSUAOJWYDM-JVWAILMASA-N 501.511 3.472 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cc(C)cc3C)c2)cc1 409248904 FXNQKMBNEBVENX-OKCVXOCRSA-N 502.571 3.404 50 40 KGGB COc1cc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc(OC)c1OC 100317154 XCYFNNIICFIHPP-QLTSDVKISA-N 536.972 3.163 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(O)c(OCC)c1 408951474 UFQHBLSHMLRCQG-QFIPXVFZSA-N 638.484 3.281 50 40 KGGB COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1OCC(N)=O 408971565 IZPWKDMESOEVQV-WVYSKFRRSA-N 553.443 3.315 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)S(C)(=O)=O 409185282 VUCPBMKOFOAHFL-OGLMXYFKSA-N 538.626 3.328 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409273318 XCFWXILODIWYJR-LUOAPIJWSA-N 519.341 3.379 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OCC)c1 1529548889 PAXAGCPGPHBBSX-JYJOXHSLSA-N 696.520 3.038 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](C)Sc2nnnn2-c2ccccc2)ccc1OS(=O)(=O)c1ccc(F)cc1 8438494 JNGCUYNFAUNEQV-WBILBPDKSA-N 556.601 3.209 50 40 KGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc(OC)c1OC(=O)N1CCOCC1 98003566 PXBCDUKHBZOGPE-FQEVSTJZSA-N 548.512 3.051 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 408609853 LUEFFTKXDODLQQ-RPPGKUMJSA-N 533.423 3.457 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)cc1 408678627 BSRQRAJUXVVHII-BDACHGGBSA-N 517.365 3.461 50 40 KGGB COc1ccc(CC(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1 408727663 FXHSEZFCDMJFDN-DJKKODMXSA-N 536.107 3.303 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)O 408794371 IWJKRHFYNNRWMO-NTUHNPAUSA-N 508.268 3.405 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)o2)cc1 408829240 OQEULMVETYHJRB-AQTBWJFISA-N 516.510 3.265 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1O 408957682 VLZGIOCRRYLFJR-WHYXJLTFSA-N 566.611 3.248 50 40 KGGB O=S(=O)(NCCSSCCNS(=O)(=O)c1cccc2cccnc12)c1cccc2cccnc12 1561354 NPEZKTHSFUYYQD-UHFFFAOYSA-N 534.710 3.421 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1 20060811 FMZISUSUOMZBKE-VEMGOHLESA-N 524.599 3.018 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)cc1OC 101005468 TZOWRZWFPOKBAH-YVLHZVERSA-N 536.429 3.129 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408687702 PFRXLDNWMZLHHJ-RDGPPVDQSA-N 597.249 3.181 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1cccc2ccccc12 408862134 CPSADIOWIVBUNA-ZCTHSVRISA-N 544.633 3.451 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccccc2F)cc1 408876471 PBKOBUSXZISLCT-MUFRIFMGSA-N 540.617 3.383 50 40 KGGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 408880746 HDDBZLXICOEIEA-WYMPLXKRSA-N 561.370 3.432 50 40 KGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1 409146792 KSSNXEZJBHAWTH-STBIYBPSSA-N 540.573 3.291 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)Nc1ccc(Br)cc1C(F)(F)F 409159559 RARJGSWDOLYUED-HBPGSIQZSA-N 571.350 3.231 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 409258599 UVMZALSXXNXZGY-FCUAXUHVSA-N 519.396 3.148 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 409379769 ZSAPJJZLCYHTJU-IHLOFXLRSA-N 669.643 3.182 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(OC)c1 659896 YWKLENQHKPYPQM-IVCWAIIXSA-N 521.357 3.332 50 40 KGGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)nc3ccccc3c2=O)cc1 949905 WGIFMLLAMXWOEP-MZJWZYIUSA-N 502.552 3.400 50 40 KGGB CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)nnc1-c1ccc(OC)c(OC)c1 9066463 PCORCUIGBHWBET-DHRITJCHSA-N 515.592 3.250 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC(C)C)c2)c(OC)c1 408954749 NMGQRCPEOOFSGX-BAWRWLFMSA-N 524.574 3.203 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1I 408965389 GTWVYYMEAALONZ-LIMNOBDPSA-N 607.117 3.222 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025841 YEHWZHLFSUGQST-OGLMXYFKSA-N 557.625 3.465 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409154139 JWJYGASTDSAWBG-OPEKNORGSA-N 629.249 3.199 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409161939 XIPJCWSPQPAMOG-KVSWJAHQSA-N 557.401 3.452 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)cc1OCC 1529548393 FKDQESCVJVYURX-HIWKEIFESA-N 540.642 3.369 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59515846 SOXFGIXTXWUXSZ-WPWMEQJKSA-N 527.599 3.457 50 40 KGGB C[C@H](NC(=O)CNP(=O)(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 73297990 DPBBAFCXOXMQBB-SETSBSEESA-N 583.625 3.481 50 40 KGGB O=C(NNC(=O)c1cc(I)cc(I)c1Br)c1ccncc1 100342519 TXIPRTMCHMASKJ-UHFFFAOYSA-N 571.938 3.128 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 103902412 ZDXPXLLRNBFQFX-RDRPBHBLSA-N 552.609 3.161 50 40 KGGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(OCCOc4ccccc4)cc3)s2)cc1 408970139 BKKLHPLKLICEFG-MTDXEUNCSA-N 531.594 3.950 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 409144158 DQMZCQYSCQFYLU-OGLMXYFKSA-N 541.557 3.104 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409251991 RCVHSTFJIPGBSZ-WKULSOCRSA-N 533.025 3.446 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1 409259841 GKERXGGQUWHOPO-HURLIOHXSA-N 519.396 3.148 50 40 KGGB Cc1cc(C)c(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)c(C)c1 409272203 PICRGAKSUGXEKT-AMVVHIIESA-N 516.554 3.125 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529546868 HXIRPXLILIAJPR-STNFJLQYSA-N 710.547 3.127 50 40 KGGB COC(=O)/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1ccccc1F)C=2/C(O)=N/c1ccc2ccccc2c1 97957284 KHUXKMXLHRRKPA-VZIOXZNFSA-N 526.549 3.043 50 40 KGGB O=C(C[C@@H]1SC(=O)NC1=O)NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 101261992 FEMXHYOTOSALFU-OPPMBQBZSA-N 579.125 3.105 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1ccc(Br)c(Cl)c1 408681633 FQFYYVBJYZIEFG-HOWZHXDLSA-N 538.609 3.050 50 40 KGGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408721364 QDBMEDWMCIYCTF-NSKAYECMSA-N 505.878 3.430 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409135055 PREXKTSMPHVHQZ-RWPZCVJISA-N 575.571 3.342 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409150841 FFNVVTQGPMOMFT-WBFLIZMFSA-N 537.400 3.073 50 40 KGGB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(Br)cc2)c1 409381195 DOEFLDJWDCFPPM-FGZHOGPDSA-N 583.391 3.363 50 40 KGGB C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc2ccccc2c1 100905787 ODJQTFWYROJWGK-ITYLOYPMSA-N 529.460 3.449 50 40 KGGB COC(=O)C1=c2s/c(=C/c3cccc(Br)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(Br)c1 102808688 ILVGIRCERWMUJR-JIARHERNSA-N 573.266 3.036 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc(C)c1Br 408686924 NVYXZGYNODNNBL-PYHGIMPFSA-N 609.109 3.470 50 40 KGGB COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409116513 VIYCOZVGFFBOIP-CVKSISIWSA-N 501.536 3.197 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)C2CCCCC2)cc1OC 409122247 ZLDPNZIRTOAAJN-JVWAILMASA-N 549.646 3.203 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409167354 INAHYKNSWSPMPO-XODNFHPESA-N 539.416 3.401 50 40 KGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(I)c2)n1 409232057 MUERBPKATQDGLL-CGOBSMCZSA-N 626.214 3.008 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409271540 MJMVLTPAVQGKFJ-XKJRVUDJSA-N 518.448 3.091 50 40 KGGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OCC)c2)cc1OC 409335995 ZMCMEKWKGUUAJY-ROTLSHHCSA-N 506.353 3.049 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2Cl)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409384187 BWLFNXQBCIXOOO-FCHUYYIVSA-N 605.383 3.307 50 40 KGGB CCOC(=O)N1CC=C2[C@H](C1)[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)C2(C#N)C#N 664192 HVARMSBQVRYMEU-IADCTJSHSA-N 504.550 3.269 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(Br)c1O 408752754 GPQIUFCMOJKLNW-BYWZACNXSA-N 512.426 3.315 50 40 KGGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408887034 LNAQHSWZFLNJAZ-LPYMAVHISA-N 500.445 3.043 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c(C)c1 4082534 MNJOVQYEQCDIFN-MTDXEUNCSA-N 551.625 3.394 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 59436882 SOLZFOJXVLCXLJ-JVWAILMASA-N 509.584 3.201 50 40 KGGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 108669464 SSXMFVCGLFKAPS-WIHVIGOGSA-N 616.719 3.316 50 40 KGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)NCc2ccco2)cc1C 408609389 REXCZWAMOPACSP-KKMKTNMSSA-N 527.375 3.443 50 40 KGGB N#CCOc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 408854421 FNBFAMDBDRGCQZ-QJTDOHDFSA-N 525.812 3.308 50 40 KGGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409317663 RDDNRKFTDBZFJO-UXHICEINSA-N 503.964 3.119 50 40 KGGB Cc1c(C(=O)C/C(=N\NC(=O)c2ccccc2)C(=O)Nc2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-] 17196826 NBAIAFKNZRMVIZ-ZTKZIYFRSA-N 517.929 3.066 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Cl)c(Cl)c1 408682237 KMGBYKCQTZTSRD-HOWZHXDLSA-N 583.060 3.253 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2Cl)c(C)c1 409247061 AYTGMNHXKDKIHF-CCVNUDIWSA-N 502.999 3.356 50 40 KGGB CN(C)CCCNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 2793838 IHDVMFRZIWLRKZ-GOEBONIOSA-N 503.982 3.257 50 40 KGGB CC(=O)OC[C@H]1O[C@@H](N2C(c3ccccc3)=C[C@H](c3ccco3)C(C#N)=C2S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5956492 AGWLLLXICPTGRC-PLUADCQJSA-N 610.641 3.468 50 40 KGGB Cc1cc(C(=O)NP(=O)(N2CCOCC2)N2CCOCC2)c(C)n1-c1ccc(Br)cc1 8688061 RCJNSKARZLYZQB-UHFFFAOYSA-N 511.357 3.359 50 40 KGGB O=C(N/N=C\c1ccc(Cl)cc1)C1=NO[C@@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@H]12 29763309 USHWITWEJNKPFU-KBXIWZKFSA-N 513.938 3.113 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1)NCc1ccccc1 58881263 HMPASHHGPVQEBB-JFLMPSFJSA-N 509.360 3.233 50 40 KGGB c1ccc([Si]23O[Si]4(c5ccccc5)O[Si]5(c6ccccc6)O[Si](c6ccccc6)(O2)O[Si]2(c6ccccc6)O[Si](c6ccccc6)(O3)O[Si](c3ccccc3)(O4)O[Si](c3ccccc3)(O5)O2)cc1 169747574 KBXJHRABGYYAFC-UHFFFAOYSA-N 1033.520 3.022 50 40 KGGB COc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408777801 JETQHWAZCBDVPY-UHFFFAOYSA-N 587.452 3.443 50 40 KGGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408861500 SDUDPTYXZFZHOQ-LUNPLWTBSA-N 588.711 3.153 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c1 408863826 QJJZOCXAORYCLL-CVKSISIWSA-N 560.426 3.347 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 408872426 NCSGLDXQABATOM-VJLPIKFPSA-N 615.108 3.368 50 40 KGGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)c(OC)c1 409250441 LSNHMKJTWJKQBE-LQKURTRISA-N 504.543 3.373 50 40 KGGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NCCCOC)NC(=O)[C@H]2C(=O)OC)cc1Cl 409312808 MRIXSUKRXSIBTO-MSOLQXFVSA-N 530.430 3.016 50 40 KGGB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCO2)cc1 14360482 FOIFSHLZTUWQDA-FQEVSTJZSA-N 504.678 3.381 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1C 28213194 ICIFNEZXUMRUTB-JVWAILMASA-N 508.600 3.237 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1cccc(Br)c1 409322761 KVLPCMNNCWFLLM-WOJBJXKFSA-N 514.401 3.236 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1OC 1529545734 BBIXBOPXJVJZGZ-VSDHBIACSA-N 561.458 3.343 50 40 KGGB COC(=O)C1=c2s/c(=C/c3cccc(Br)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(Br)c1 102808684 ILVGIRCERWMUJR-GONKEYIRSA-N 573.266 3.036 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1ccc(Br)cc1Cl 408690421 VHHYDUYWHLCZLU-JUYHGQFASA-N 538.609 3.050 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OCC(N)=O 408806241 BHTYDFHYLQOHJJ-VEJKBTLKSA-N 519.339 3.338 50 40 KGGB CCOc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC(=O)O 408979293 MEQHHINQHPFUQI-TUJXVDMFSA-N 539.610 3.417 50 40 KGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)c1ccccc1 408980867 TYTYZNGAFBHXHB-FPQGOQEYSA-N 526.287 3.233 50 40 KGGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409164297 GEFHAXZHJCVJKO-RWPZCVJISA-N 504.543 3.427 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 409368884 RDTFXWYSMGMHDP-AFUMVMLFSA-N 500.508 3.084 50 40 KGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2)c1 3287433 GAIGFLLUCQIKQY-UHFFFAOYSA-N 534.388 3.099 50 40 KGGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@H](C)c3ccccc3)cc2OC)c1 15945996 OZIAZWIDAOISDO-GBYSFBBLSA-N 504.543 3.049 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408684087 JKTDTWGGYMOHBL-YIMZLLHESA-N 517.365 3.426 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)ccc1OCC(=O)NCc1ccccc1 409253107 AQLCDTLYBYMZBT-UXHLAJHPSA-N 502.571 3.432 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1O 1529548457 GUFWRHIXCBNDLB-UXPWFEKTSA-N 552.653 3.404 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)ccc1O 19816768 AIYPNVBQOFYTDK-CVKSISIWSA-N 513.572 3.072 50 40 KGGB COC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 59333050 VYUNIJLLXOUUBB-PDGQHHTCSA-N 514.376 3.265 50 40 KGGB COc1ccc(CNC(=O)CN(C(=O)n2ccnc2)N(CC(=O)NCc2ccc(OC)cc2)c2nc3ccccc3o2)cc1 100479776 VJUIDWXFMHWHDH-UHFFFAOYSA-N 597.632 3.366 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408678610 BSMMSVUWTXPEAO-ARBYRQAASA-N 576.669 3.297 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1C 408688712 WZCKQNLCMSLBGH-OZJSDOOGSA-N 501.171 3.119 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409152022 ISFFGIQJUGHSSV-BTIIEKFUSA-N 586.814 3.336 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(I)c1OCC(=O)Nc1ccccc1 409170801 XHEHFIMSXHRHJF-WKULSOCRSA-N 600.413 3.392 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2cccc3ccccc23)ccc1OC(C)=O 409370089 KURBMJZRVYTXSE-IHLOFXLRSA-N 702.625 3.004 50 40 KGGB O=C(COc1cccc2ccccc12)N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409378260 OCEKDMICUHGXLT-DICXZTSXSA-N 526.387 3.369 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OC)c([N+](=O)[O-])c1 1529547112 IULZEVABCIDUOP-MCBYZNMFSA-N 653.455 3.093 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19956059 TVIKCQBGLKRJCN-AFUMVMLFSA-N 500.508 3.397 50 40 KGGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408759187 ZIXFMBRFILLZDA-YDZHTSKRSA-N 511.541 3.481 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 408940878 DBYDPKHYOLHHDO-QFIPXVFZSA-N 631.465 3.145 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409163890 ZCQRUMWIBDUWTM-FJEPWZHXSA-N 630.439 3.401 50 40 KGGB COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)=O 409409115 NFQJSQITYZIDDM-MOSHPQCFSA-N 517.450 3.209 50 40 KGGB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1 8819222 FZFBMBTVXXJUKK-QGOAFFKASA-N 500.558 3.046 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100303212 YEUNUGZRPJPSLQ-RDRPBHBLSA-N 597.650 3.103 50 40 KGGB O=C(COC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(Br)cc1 408668460 TZSWCWFBACKOFX-UHFFFAOYSA-N 516.270 3.191 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408683175 HOJSAEVKGQMRJR-GWABWREFSA-N 576.669 3.297 50 40 KGGB O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408685804 ROIUNUFEKCGQEG-MPHJFTGHSA-N 841.230 3.376 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)O)c(OCC)c1 408940665 CSNWDNIBQAWTAU-DEOSSOPVSA-N 649.520 3.196 50 40 KGGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1cccc(Br)c1 3079777 XQCRUKZWNSOVQL-BRJLIKDPSA-N 500.305 3.150 50 40 KGGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1[nH]ncc1I 6445060 GKAHWLOPTUPLMF-CRKCGEKBSA-N 513.915 3.009 50 40 KGGB CCCCCCCCC/C(CC(=O)N[C@H]1CCOC1=O)=N\NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 299817364 YRIITMQTGYYHQE-VPULCICXSA-N 537.727 3.147 50 40 KGGB in-vitro COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)c(OC)c1 408686639 NIQLJFHJXLCVNH-ZOQGBNKYSA-N 547.391 3.469 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 408862358 YFDLCBXMWNVSEJ-KBVAKVRCSA-N 564.595 3.460 50 40 KGGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(O)cc1 408944270 URGVEWXHHGAHQX-ZVHZXABRSA-N 502.390 3.496 50 40 KGGB O=C(COCCOCCOCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)Oc1ccc([N+](=O)[O-])c2cccnc12 2061000974 QAKYUBYIFONINC-UHFFFAOYSA-N 566.479 3.160 50 40 KGGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)C[C@@H]2SC(=O)NC2=O)cc1 9075563 VQXWPNBAQPXHIY-CPHRPENTSA-N 500.583 3.186 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408776495 ORJXSNJHVJLEEE-CVKSISIWSA-N 513.572 3.072 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 408881700 LUSOUHVXCQETDK-MUFRIFMGSA-N 540.617 3.383 50 40 KGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1OC 2138671 MAKOLYFTLXXTES-XMMPIXPASA-N 519.554 3.466 50 40 KGGB biogenic CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)C1 9075417 ALOHHNXETVUIKI-PLPWKKLYSA-N 513.598 3.048 50 40 KGGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 97981268 AUOOZOYLYXBKKI-UHFFFAOYSA-N 559.544 3.147 50 40 KGGB Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl 103026588 UVWXFDCDFUAVKN-UHFFFAOYSA-N 590.062 3.142 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1ccccc1 408612947 XONHBQJDNCESAX-UVHMKAGCSA-N 543.374 3.225 50 40 KGGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(=O)O 408793282 DNELRNSLEVLABO-LFYBBSHMSA-N 523.239 3.217 50 40 KGGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 408862342 YDYWSPXEEISHFN-UVHMKAGCSA-N 535.409 3.203 50 40 KGGB C=CCc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc(OCC)c1OCc1ccc(Br)cc1 409158687 SBUYKTXHDRIXEV-ZCTHSVRISA-N 587.515 3.444 50 40 KGGB Cc1cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1Br 409172134 IILFDXUIGHHPFC-VFLNYLIXSA-N 567.396 3.270 50 40 KGGB CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)cc(I)c1OCC(N)=O 409251644 ATZOUGHJBBVWCG-AFPJDJCSSA-N 546.159 3.080 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 409379953 CZEVOYLYGUXVME-JSOSNVBQSA-N 745.694 3.279 50 40 KGGB COc1cc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)cc(OC)c1OC 8410178 MSANEFHPGMFNHN-FQEVSTJZSA-N 522.514 3.263 50 40 KGGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cc4c(cc3Br)OCO4)s2)c1 59498647 TWUPIRFGPQUGEH-LSFURLLWSA-N 502.350 3.283 50 40 KGGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1)c1ccc(OC(=O)c2ccccc2)cc1 102463349 XMBAWMXIYJMBCQ-STBIYBPSSA-N 538.524 3.185 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(I)c(OC)c(I)c2)c1C#N 163904814 XUIJJKQRXNCQLN-LIMNOBDPSA-N 620.185 3.155 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408680712 DTHRWPQYAZYCBY-LYOOIBFTSA-N 628.314 3.292 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)C(C)C)cc1 408751581 AAMYQJKFMNXRMU-RGXRWQALSA-N 574.637 3.124 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N2CCCCC2)o1 408952734 WRWPLKKOIWPKRT-XMMPIXPASA-N 525.631 3.155 50 40 KGGB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)NNc2ccccc2[N+](=O)[O-])c1 14361235 XVRYWFIYUINEKV-UHFFFAOYSA-N 505.440 3.208 50 40 KGGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)CSc1nc2ccccc2o1 101006218 CLPNHMGEYVFZCL-ODLFYWEKSA-N 556.647 3.478 50 40 KGGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408781028 QBBBUJJIJCNYJR-MYKKPKGFSA-N 569.821 3.271 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409264439 FSPIQECUVRSCQV-PZIWGWIQSA-N 533.423 3.457 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409318260 XZDYILKKMXCXDC-FGZHOGPDSA-N 507.568 3.200 50 40 KGGB CC(C)[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101705449 ZRODEJMJIFWPBY-JEBSLRSFSA-N 586.233 3.123 50 40 KGGB O=C(CCCCC(=O)NN/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21)NN/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21 150445068 UNXWGMZCWLFUFB-GPAWKIAZSA-N 670.686 3.035 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Cl)cc1Cl 408687706 VHIGAEKCAKFHHS-HOWZHXDLSA-N 583.060 3.253 50 40 KGGB COc1cc(/C=N/NC(=O)CSc2nnnn2-c2ccccc2)c(Br)c(Br)c1O 408972974 JBSQLXUVKQWONQ-DNTJNYDQSA-N 542.213 3.144 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409155785 NDTYKBFAFMIHQU-XODNFHPESA-N 630.867 3.352 50 40 KGGB O=C(NNC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc([N+](=O)[O-])cc1 409380395 MGWLAUGTAVIFHJ-VQTJNVASSA-N 590.328 3.198 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)OCCO1 112256060 IRGPNVFSCSCFSJ-WNSGBWOUSA-N 566.570 3.401 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc(Br)c1O 408864832 ABNBRFZZZGNPIQ-ODCIPOBUSA-N 525.208 3.386 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C 409157009 HNGPJPBOVFUUCV-MFYUCYCASA-N 628.851 3.024 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409319359 FACMFYMKTJZNRM-VQTJNVASSA-N 513.959 3.236 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3770441 LWOASFAXMQMFQX-HKUYNNGSSA-N 510.522 3.422 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)OCCO1 112255759 HLHKRCDLTNTBPZ-RMGXVABMSA-N 535.600 3.488 50 40 KGGB CCN(CC)C(=O)/C(C#N)=C\c1cc(I)c(OCC(=O)O)c(I)c1 408781671 CRMZBFFSYKQLBT-WZUFQYTHSA-N 554.122 3.135 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 408782505 JIHLINOTMVWWGG-CVKSISIWSA-N 513.572 3.072 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc(Br)c1OC 408826698 IWFNGQOFVMHSOO-LSHDLFTRSA-N 518.817 3.344 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Br)cn34)o2)cc1 408841585 LPTVDKBMPSPIDB-PPDIBHTLSA-N 537.374 3.325 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)c(OC)c1 408925659 VINZXKXCTQWUHQ-ZLYQEWHFSA-N 519.558 3.205 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC(C)=O)c(OC)c1 408944573 IZVDGLTVAVXRRR-QHCPKHFHSA-N 666.494 3.110 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)c(OC)c1 408957269 TVDKAELFWYWQJO-OXQYWEMVSA-N 653.870 3.295 50 40 KGGB COc1cc(OC)c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 408990169 NAWDLAKVZGCJNA-IZWKTHEGSA-N 530.379 3.177 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1 1529544673 LRNZGMNALAFKRA-LWVVSQLESA-N 574.501 3.400 50 40 KGGB O=C(N[C@H](C(=O)N/N=C/c1ccccc1Br)c1n[nH]c(=O)c2ccccc12)c1ccccc1 2181690 AKFZKSHAGMRBOQ-WMPMWDHYSA-N 504.344 3.307 50 40 KGGB COc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C1/C(=O)Nc3ccc(OC)cc31)C(=O)C2 100840661 CUUMIHREBSLTHZ-KGGMANCPSA-N 547.612 3.243 50 40 KGGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 408542410 LLTHKDICHJONJO-NSIKDUERSA-N 536.278 3.095 50 40 KGGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccc(OC)cc1 408614478 CRNGUBSAQSRTNL-LQKURTRISA-N 504.543 3.373 50 40 KGGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408866852 IWSABFGNZPKTFU-UXHLAJHPSA-N 543.605 3.445 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409024222 BWBCTYXORUFAOD-VEMGOHLESA-N 525.583 3.336 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409114874 LSGFLBQKHDDFSJ-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CCOc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1O 409142999 MNMCGLAIMOLQHA-JFLMPSFJSA-N 531.562 3.293 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c(=O)c1C#N 409206388 IYZIVYLPLUOGPL-YPXUMCKCSA-N 555.345 3.183 50 40 KGGB N#CC1=C(N)n2c(s/c(=C/c3cccc(Br)c3)c2=O)=C(C#N)[C@H]1c1cccc(Br)c1 2051390 UHBYSHZMUZZXAH-UUVGHFPGSA-N 540.240 3.386 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 59885464 AVJTTWZTNVHBSR-PXFLCDOESA-N 594.690 3.023 50 40 KGGB O=C(CCCCC(=O)N/N=C/c1ccc(I)o1)N/N=C/c1ccc(I)o1 97959594 DBXCDLSGWRDLOQ-LQGKIZFRSA-N 582.136 3.243 50 40 KGGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1 103900814 XUMFOSFYWSDIAV-AFUMVMLFSA-N 526.596 3.435 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cc(Cl)ccc1Cl 409026139 HHYKBTUBMNAURB-VULFUBBASA-N 541.457 3.301 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC[C@@H]2C)=C(C#N)[C@H]1c1cccc(Br)c1 409316668 ZIDSHSYOBFBABJ-BKTGTZMESA-N 506.422 3.321 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c1 59401719 KKDMUURYDVDFBE-CVKSISIWSA-N 515.975 3.237 50 40 KGGB COc1cc(C(=O)N/N=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)ccc1I 100197455 ADQYFQLCFCQOKJ-CNHKJKLMSA-N 520.077 3.440 50 40 KGGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\C(Cl)=C\c1ccccc1 100858404 HKSLGFYVHGLVTJ-TXHKSUSMSA-N 525.856 3.137 50 40 KGGB CCOc1c(Br)cc(C(=O)NN[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC 102922031 UAGBPNWCLJGOGQ-INIZCTEOSA-N 510.772 3.385 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC#N)c(Br)c2)c(OC)c1 408949278 FJHNQIVPFSEEOP-FNMFPPKFSA-N 600.426 3.080 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)c1C#N 409008170 UVGDJWBIKCSXNP-IPPBACCNSA-N 501.543 3.263 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C 409155373 QYHXYCGIRBHOEA-DDAUNIGFSA-N 628.851 3.024 50 40 KGGB N#CC1=C(N)C(C#N)(C#N)[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2CN(Cc3ccccc3)CC=C12 9301890 KCZAZZNAOXLEEO-HFZDXXHNSA-N 511.383 3.481 50 40 KGGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)CCSCCC(=O)N/N=C(\C)c2ccc(OC(C)=O)cc2)cc1 17316265 FZHPUYZHBQDCGC-HJVIKEODSA-N 526.615 3.431 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)NC[C@H]1CCCO1 100405907 BZADLOKHFQXEIV-HBPGSIQZSA-N 526.899 3.122 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 408832600 UYZGIQAZBXREIV-VOWJQMTESA-N 629.533 3.469 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)c(OC)c1 408925543 UQNNEJJLAVLDDU-XBLJSKHHSA-N 590.589 3.462 50 40 KGGB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 409154862 PHERZMKGVLHFOM-WCMJOSRZSA-N 613.465 3.301 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409155993 JTFZFVYBGKINGW-PLZMCAGMSA-N 622.460 3.070 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 409372143 LPFPQCVPXNPCNA-VULFUBBASA-N 514.535 3.392 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 16292546 VZRXYUYQGSGRBS-JVWAILMASA-N 509.584 3.201 50 40 KGGB COc1ccc(/C=N\NC(=O)C2=NO[C@@H](Cc3c(Br)c(OC)c4c(c3OC)OCO4)C2)cc1 36556704 YOJBKNJXKVIMJY-PWIJZLFTSA-N 520.336 3.041 50 40 KGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 59881944 GCFOXOSTTPWTQJ-CLCAUBNZSA-N 538.626 3.408 50 40 KGGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1 408607479 DFGGQNROBUKXKY-RPPGKUMJSA-N 513.348 3.135 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408682239 KMGBYKCQTZTSRD-YMKLRKBFSA-N 583.060 3.253 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1 408831781 VJNGIWKTBOJFKZ-RWPZCVJISA-N 575.043 3.291 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC#N)c(OC)c1 1529548106 XUROODLMKLBQBT-GPYFUORASA-N 616.494 3.245 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 408609926 MCDGSXURZDTGFJ-RPPGKUMJSA-N 519.396 3.006 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408683939 JELZZZYLQHOCCZ-JOXPCTGNSA-N 537.572 3.234 50 40 KGGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)c(OC)c1 408876476 PEURJMZQYBYSJO-GIDUJCDVSA-N 505.321 3.162 50 40 KGGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccco2)c1 409258876 VVZNFOFBTPPXQQ-RPPGKUMJSA-N 513.348 3.135 50 40 KGGB Cc1cc(C)c(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 409267123 SVBNYEUWWLKAJU-AMVVHIIESA-N 516.554 3.125 50 40 KGGB COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(C)=O 12364630 LODWNJJETJMPPH-GKYGGESFSA-N 501.495 3.270 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 20232011 YITWROKGWIBFQU-AFUMVMLFSA-N 500.508 3.397 50 40 KGGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(C)(=O)=O)cc1 28213252 YPOLXRHDSOFWRH-RWPZCVJISA-N 526.615 3.015 50 40 KGGB Cc1cc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2=O)c(C)cc1Br 408529942 KNWRCQVFBMAWCY-MDWZMJQESA-N 536.726 3.029 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408801255 UIYUDEBYAFJBBY-UXHLAJHPSA-N 642.712 3.130 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1 409258905 YFKKSVQQHPEIEO-MZJWZYIUSA-N 533.423 3.156 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C)cc(C)c3)NC(=O)[C@H]2C(=O)OC)cc1 409312810 NQQPOTJQVLKNPO-VXKWHMMOSA-N 507.568 3.200 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(SC)cc2)c(OC)c1 16682490 UJWRSNQKXWJWTN-NSZYMRRGSA-N 512.588 3.137 50 40 KGGB COc1cc(OC)cc(C(=O)NNC2=C/C(=N/S(=O)(=O)c3ccc(C)cc3)C3=C(CC=CC3)C2=O)c1 101181527 DVNPSNZGZAUQEZ-FAJYDZGRSA-N 507.568 3.190 50 40 KGGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1OC 103883578 WRDANUVKBZGQNT-PDGQHHTCSA-N 561.376 3.107 50 40 KGGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc1OC 112264721 GTXGEAZZTBZWEK-NUGSKGIGSA-N 531.734 3.067 50 40 KGGB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1 408651047 AOISJMAPVLXGFU-LJQANCHMSA-N 529.977 3.044 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4OC)CC3)cc2)c1 408861636 DSPAUVCMRHCGEB-NDZAJKAJSA-N 516.598 3.333 50 40 KGGB C=CCOc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OCC=C)c(OC)c2)C=3C#N)cc1OC 408976079 PDNXGELAKOVNPQ-UEMGUIRWSA-N 554.628 3.008 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)cc(I)c1OCC(N)=O 409010186 ATQANGGNAJFTPS-SDRGJPCHSA-N 672.520 3.427 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 409254376 XCYGOUBIEFORSY-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)cc1 409261144 AMPLCJPDRXMGSQ-OGLMXYFKSA-N 502.527 3.366 50 40 KGGB COC(=O)c1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 409368166 OCOFVNFEZNZTAQ-YUMHPJSZSA-N 509.584 3.131 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(C)=O 409388387 UXIFEBHYHUPDAC-ZWXJPIIXSA-N 771.688 3.104 50 40 KGGB O=C(COC(=O)COC(=O)c1ccccc1OC(=O)CCCCCBr)OCCOC(=O)COC(=O)COC(=O)c1ccccc1OC(=O)CCCCO[N+](=O)[O-] 2060993723 CSQYGVGGJHNEER-UHFFFAOYSA-N 856.581 3.018 50 40 KGGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)cc(OC)c1OC 2245934 QSXVEXLADISEAJ-QHCPKHFHSA-N 503.511 3.178 50 40 KGGB CC(=O)OC[C@H]1O[C@@H](N2C(c3ccccc3)=C[C@H](c3ccco3)C(C#N)=C2S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5956500 AGWLLLXICPTGRC-NLVHKIMGSA-N 610.641 3.468 50 40 KGGB CCNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2c(F)cccc2Cl)c(OC)c1 408612459 VNBZIPNXSSTYKI-PGGKNCGUSA-N 533.725 3.258 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCC(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409123441 BVSOVJIJQOUHNJ-DPNNOFEESA-N 642.731 3.218 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(O)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 409186273 ZUAUTIJYXFCWQA-MZJWZYIUSA-N 605.467 3.476 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2C)c(OC)c1 409247179 BOXXJRQPHALXHW-HURLIOHXSA-N 519.396 3.148 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3770439 LWOASFAXMQMFQX-MJGOQNOKSA-N 510.522 3.422 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 16217559 CQTAAJFQTLNTNT-JFLMPSFJSA-N 502.552 3.423 50 40 KGGB CCOC(=O)N1CCC(NC(=O)CCC(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 98045476 IXAYUSNNAQYSON-UHFFFAOYSA-N 526.434 3.003 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 100065411 UWIOBXUNBUHNCD-WGOQTCKBSA-N 528.518 3.241 50 40 KGGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NC[C@@H]3CCCO3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100141675 DCLXMAPEKMUFBE-GWPKRETCSA-N 573.071 3.378 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344299 CCSHOBPFAHHVRW-LQKURTRISA-N 573.624 3.084 50 40 KGGB O=C(O[C@H](C(=O)O[C@@H](CCl)CNCc1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 169801835 ZUAJUCVCIVWSBY-VXNXHJTFSA-N 539.968 3.463 50 40 KGGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(F)cccc2Cl)c(OC)c1 408604263 HWNNZRXZJVBHTK-KIBLKLHPSA-N 516.751 3.042 50 40 KGGB O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1Br 408748323 BXVKPRFOLYGSJO-UFWORHAWSA-N 503.090 3.281 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)c(OC)c1 408956975 RYQSGGRPIMKOJG-ORMFSKTFSA-N 545.390 3.178 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)ccc1OCc1ccc(Cl)c(Cl)c1 409161496 YCTZBEWTNXXTQX-MUFRIFMGSA-N 537.444 3.260 50 40 KGGB CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)C1 8768324 QPDHQTHFBIELFX-QTKYHAHDSA-N 506.584 3.121 50 40 KGGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 28213039 FGSBDNNABYFUIU-VICVKWBVSA-N 522.627 3.168 50 40 KGGB Cc1ccccc1NC(=O)C(=O)N/N=C1\C[C@@H](C(=O)OCC(C)C)/C(=N/NC(=O)C(=O)Nc2ccccc2C)C[C@@H]1C(=O)OCC(C)C 150370278 IBSTTZPWSKYDIN-BLLIPNGISA-N 662.744 3.250 50 40 KGGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 253576943 WLVFOWJQGVZUGO-PVPASAESSA-N 581.503 3.208 50 40 KGGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)c(Br)c1 408608404 PKFCHEKHVRHVAE-OPEKNORGSA-N 500.752 3.423 50 40 KGGB COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408798179 VAPNNHRLOTXIKB-OVCLIPMQSA-N 550.305 3.184 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2OC)cc1 408974644 FXDLBPBPFBFOBB-WPWMEQJKSA-N 511.600 3.444 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409028408 NKZLOIAZFZCUAS-WPWMEQJKSA-N 527.599 3.457 50 40 KGGB COc1cccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1O 409147737 VYOUTMPUFNTGCV-ZVHZXABRSA-N 565.389 3.351 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3F)NC(=O)[C@@H]2C(=O)OC)cc1 409304069 PPVSFYHOJAXDQQ-WOJBJXKFSA-N 576.400 3.484 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1OC 59516156 ZYQXSQNMUJSPOM-TURZUDJPSA-N 524.643 3.154 50 40 KGGB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)c2ccc(C(=O)N/N=C3/C(=O)Nc4ccc([N+](=O)[O-])cc43)cc2)C1 102942875 XLYGOGMTVOXIEK-SSOJOUAXSA-N 525.587 3.270 50 40 KGGB CC(C)[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@@H](C)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 218897216 QXMLUPPUFBNKRY-LGGPFLRQSA-N 651.673 3.380 50 40 KGGB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1 408530413 FHNWMSIJCCGVMY-VOZXZEHESA-N 533.928 3.216 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1 409128751 KVGMYMOMJOKEEP-JVWAILMASA-N 509.584 3.277 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409151381 AYMOEBXIXNXNNI-POGXFMHGSA-N 575.460 3.227 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OC 1529548244 BLICRMQISMMOJA-VSDHBIACSA-N 517.007 3.234 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3ccc(Cl)cc3Cl)c2=O)=C(C(N)=O)[C@@H]1c1ccc(Cl)cc1Cl 2330559 FRHBCCNGPCQBTD-HFLUPCSWSA-N 538.243 3.436 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 59646728 QEPDHHCJRZLVCU-FFWFIYGGSA-N 582.654 3.154 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100781526 UUEZBKXLUNDXSZ-BLGFKIELSA-N 517.575 3.460 50 40 KGGB biogenic COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OC(C)=O 408760345 XANNHYFLGCGHAU-VWXZLZIGSA-N 540.436 3.145 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccn3)S(=O)(=O)c3ccccc3)cc2)cc1 408855267 BFULPOSNCKWRAR-ZCTHSVRISA-N 573.631 3.453 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c1 409185729 PDPXTQDCUSSNNG-JFLMPSFJSA-N 513.547 3.032 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1 409313683 QOYVDUJPXBOCIX-UXHICEINSA-N 513.959 3.236 50 40 KGGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)o1 58951167 RTKRZXBZLWAHSH-NTFVMDSBSA-N 508.600 3.040 50 40 KGGB COC(=O)C1=c2s/c(=C\c3cc(Br)ccc3F)c(=O)n2C(N)=C(C#N)[C@H]1c1cc(Br)ccc1F 97968617 MCWJIBCGCCNHGN-CTUYBLSSSA-N 609.246 3.314 50 40 KGGB COc1ccc(/C=N/NC(=O)c2ccc(OC[C@@H](O)CN3CCN(c4ccc(F)cc4)CC3)cc2)cc1OC 100847731 QDRYWXAGOMKTON-ZBVGTAKBSA-N 536.604 3.169 50 40 KGGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 103895105 VYMSIKNYYHEMNL-NDZAJKAJSA-N 549.653 3.255 50 40 KGGB O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 105584646 ZNWUHJBDAYAOQH-JEWPKMHUSA-N 581.503 3.208 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1 150481145 YQTRGWHJJRTVSA-FADJLKOXSA-N 659.721 3.095 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)Cc2ccccc2)cc1 408798381 DUORYRLEZWEBCO-RDRPBHBLSA-N 596.687 3.108 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)cc1Cl 408845707 YZCHOLAUSBNAMI-OCSSWDANSA-N 557.072 3.302 50 40 KGGB CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 409004494 XIUOGCYCPYORDP-VXMPXDASSA-N 599.688 3.458 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3F)c2)cc1OC 409150306 AXLGEXIHCICGMJ-IBBHUPRXSA-N 601.429 3.432 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770121 ZMGQMGBYOAIFLO-UNMCSNQZSA-N 534.594 3.161 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc(C)c1Br 408685061 QATWSGYABBMHFR-FHPZBCKDSA-N 621.120 3.326 50 40 KGGB COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ccc1OCC#N 409000175 DYNRGSVCBROKSX-RCCHARBYSA-N 506.584 3.466 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 409112665 FPIRNHZRNUSDIS-JVWAILMASA-N 511.600 3.362 50 40 KGGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(=O)c1C#N 100168939 HPCICLXOFDGOQG-KIBLKLHPSA-N 528.319 3.256 50 40 KGGB O=C(NNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 150452204 GLKBORKSPLDQBD-HTAPYJJXSA-N 681.498 3.398 50 40 KGGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)c1 408691354 ZLRQFZOJKQVXLJ-SAIKNWJPSA-N 562.362 3.369 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 408863858 UZWBFWWJTLMELN-RWPZCVJISA-N 542.589 3.077 50 40 KGGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(I)cc1 408995301 LXFCWEHIRNJQCC-MSXFZWOLSA-N 635.240 3.266 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770112 NHEKJUHQUABANC-PZJWPPBQSA-N 504.568 3.152 50 40 KGGB COc1cc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)cc(OC)c1OC 8410182 MSANEFHPGMFNHN-HXUWFJFHSA-N 522.514 3.263 50 40 KGGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C1\C(=O)Nc2c(C)cc([N+](=O)[O-])cc21 98001645 KGSIMDUGQMCPGD-UHFFFAOYSA-N 542.140 3.288 50 40 KGGB CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)OCC(=O)/C(C#N)=C1/Sc2ccccc2N1C 102895646 GQMPYUVGCHMNQG-CBTVAOKPSA-N 511.625 3.393 50 40 KGGB C=CCNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1 408610354 TVYICIOLBHLHME-BHGWPJFGSA-N 527.746 3.285 50 40 KGGB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1 408615344 PEVPRHQGBDGTBI-RWPZCVJISA-N 518.998 3.138 50 40 KGGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1ccc(Br)c(Cl)c1 408683778 MDRLXRGKAKURJF-BANCJSOYSA-N 507.562 3.155 50 40 KGGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547507 LJUHDUDSGOAMIR-VELKRQBGSA-N 662.506 3.197 50 40 KGGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1 6474553 SGHHJOGHKWUYJS-OVVQPSECSA-N 517.594 3.379 50 40 KGGB Cc1ccc(C(=O)NNC(=O)CSc2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2Cc2ccc(F)cc2)cc1 103135906 WKTKREVFRRJNFL-UHFFFAOYSA-N 624.720 3.015 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)Cc2ccccc2)cc1C 409367947 PETYDBCFWDUYFQ-NTFVMDSBSA-N 541.626 3.371 50 40 KGGB COC(=O)NN/C=C1/C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3F)c2)C(=O)c2ccccc21 103005177 KQKYAUHKKISMSI-XMHGGMMESA-N 510.503 3.015 50 40 KGGB CC(C)[C@H](NC(=O)[C@H](CSSC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C(=O)O)C(C)C)NC(=O)OCc1ccccc1)C(=O)O 150378241 OZZAPQKIAFTDKA-POYMRFPPSA-N 706.840 3.409 50 40 KGGB COc1ccc(N(CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 150491124 QVOMAALMEKLRQO-OHUYPAJKSA-N 636.683 3.346 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2ccccc2)cc1 408863785 QAVRFOXXWDWRCB-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccccc2)cc1 408925063 IGPBBDNLCRYIFW-ZLZXEHKWSA-N 594.690 3.105 50 40 KGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(N)=O)c(Br)c2)cc1 409218527 JJOGUISWXKSQKG-AWNIVKPZSA-N 537.164 3.408 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(OC)c1 409262487 HIIUZRULRQNGII-LQKURTRISA-N 520.542 3.209 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 19945550 YAHKBFJCUYEAPW-DHRITJCHSA-N 517.951 3.306 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1C 408609329 QZJKJIOWPYGKRE-VVEOGCPPSA-N 536.972 3.470 50 40 KGGB COc1cc(OC)c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 408874092 YMNPILQTLFLFHH-FZJZADEZSA-N 530.828 3.423 50 40 KGGB NC(=O)COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br 409001605 JKJFIVLFMNPLGJ-KZJCWCHPSA-N 523.387 3.325 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2OC)cc1 409150740 DMVWFNUEECAEMU-KCSSXMTESA-N 562.623 3.101 50 40 KGGB CCOC(=O)N1CC=C2[C@H](C1)[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)C2(C#N)C#N 664196 HVARMSBQVRYMEU-MUAVYFROSA-N 504.550 3.269 50 40 KGGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3116417 BCKAABNBJRVKEU-UVHMKAGCSA-N 510.890 3.356 50 40 KGGB CC(C)N1C(=O)/C(=N\NC(=O)CCCCCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)c2ccccc21 17877683 GJJIHXOXOQIHQP-VBZQPFBYSA-N 530.629 3.488 50 40 KGGB O=C(NNC(=O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1)Nc1ccc([N+](=O)[O-])cc1 20365874 QRXZHCQRFFIAGB-GFCCVEGCSA-N 501.809 3.072 50 40 KGGB O=C(N/N=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)N/N=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 59222098 VESYTWAPRHOICI-HJVIKEODSA-N 550.576 3.084 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)Cc2ccccc2)cc1 100087276 YVELMQSMNOZGSY-RHANQZHGSA-N 536.654 3.240 50 40 KGGB COc1cc(C(=O)N/N=C/c2ccc(O)c(I)c2)ccc1I 408747801 TXQIRNCKIDCEOP-QGMBQPNBSA-N 522.080 3.374 50 40 KGGB COc1cc(OC)c(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 408990171 NAWDLAKVZGCJNA-KYEFCJKTSA-N 530.379 3.177 50 40 KGGB COc1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 409033515 FLHJSSUKZQEBCU-SDNWHVSQSA-N 506.511 3.415 50 40 KGGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1cccc(Br)c1 9191177 GJQGSNFLVQKKFQ-FSJBWODESA-N 513.381 3.441 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 408607615 DTYDPXIGLRDPKX-RPPGKUMJSA-N 531.407 3.211 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cc(Cl)cc(Cl)c1 408857509 HODOSKMNUVEHNI-VULFUBBASA-N 541.457 3.301 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C 409161363 UDGVHSXBBJUAOV-WBFLIZMFSA-N 581.851 3.182 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(OC)c2OC)Cc2ccccc2)cc1C 409369463 OJDSXPWYQBSOMB-YUMHPJSZSA-N 511.600 3.362 50 40 KGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 20212410 APEMJBXPNHXYBS-DHRITJCHSA-N 510.012 3.285 50 40 KGGB COc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 101602764 UVGOXHAMWONWDP-LMUKFIAJSA-N 615.643 3.467 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c(C)cc1Br 408680436 GGANKECAGDQFAO-QPOISQFYSA-N 501.171 3.119 50 40 KGGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408806322 BARWOHCHQQDUCF-JFLMPSFJSA-N 635.518 3.455 50 40 KGGB C#CCn1c(C)c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 408943686 IBCHTGYWVGVBJR-HHHXNRCGSA-N 543.649 3.468 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1cccc(F)c1 409147113 VDTUUPKRLPUNSJ-MZJWZYIUSA-N 532.981 3.413 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409263531 LOOYGEINVLSUBR-MUFRIFMGSA-N 512.607 3.101 50 40 KGGB O=C(Cc1ccccc1)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21 2114869 SYHOOJJUBOURAZ-LFSZHVAGSA-N 560.452 3.097 50 40 KGGB Cc1ccccc1COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)cc1 2202238 WPMQDUWVHXFZCU-WKULSOCRSA-N 529.605 3.116 50 40 KGGB COc1cc(CN(CCI)CCI)cc(OC)c1OC 4886821 MAWDOAUDLWDODE-UHFFFAOYSA-N 505.134 3.384 50 40 KGGB CC(C)C[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)N[C@H](C(=O)O)C(C)C 100782919 JJGPCGCYAFOOBW-OBTDWSTBSA-N 596.718 3.274 50 40 KGGB biogenic O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)NNC(=O)c1ccc(Cl)cc1 408662576 KEBBLUCACDFDGU-UHFFFAOYSA-N 517.163 3.479 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC 409369045 YWDKQTLTFGMENC-FOKLQQMPSA-N 542.326 3.023 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OC)cc1Br 1529548278 ZRTDAZDTIWFAMD-VVKUOSDESA-N 591.484 3.351 50 40 KGGB O=C(N/N=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 16450631 XRHSKTNIDSEEDY-DYCUMYEBSA-N 514.450 3.203 50 40 KGGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 59646095 YGLHZXYNTGDSEQ-QNSQCGTLSA-N 564.664 3.015 50 40 KGGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1 102465752 GIMHPUUKCUAIAR-VFLNYLIXSA-N 603.939 3.453 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1 150481140 SUUDCJPLYVZKFN-QXUDOOCXSA-N 645.694 3.052 50 40 KGGB O=C(N/N=C\c1cccc2ccccc12)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408721941 NEVBPXQCEJXJJQ-RGUQBTLKSA-N 562.673 3.054 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1 409313677 QOYVDUJPXBOCIX-PMACEKPBSA-N 513.959 3.236 50 40 KGGB CCOc1c(I)cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)cc1OC 409336046 QRNUIIVYYCSKCU-HCGXMYGOSA-N 511.345 3.358 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(OC(C)=O)c(OC)c1 1529548556 IZVDGLTVAVXRRR-GLYJQWOCSA-N 666.494 3.110 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCC(=O)OC 103884163 NQUICGVOOOERBJ-UYRXBGFRSA-N 575.403 3.497 50 40 KGGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408747728 SCUBBDHOYVMBGC-LSFURLLWSA-N 532.718 3.278 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)cc2)cc1 408752403 FBOICWCNKPHBEO-WJVWQPRSSA-N 552.653 3.474 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I 408772927 OAYAUQURPUXTHA-XGICHPGQSA-N 521.149 3.427 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 408826871 DKXITDDJSMDQST-WGOQTCKBSA-N 527.555 3.195 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccccc2C)cc1 408855962 FJSXZXMXBYWZBV-QGYJZDEZSA-N 578.691 3.323 50 40 KGGB CCOC(=O)COc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 408950064 RMQPINNUGXKKJR-RUZDIDTESA-N 633.521 3.276 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC(C)C)cc2)c(OC)c1 408952001 JMNHXPUATXICTO-HHSRISMTSA-N 524.574 3.203 50 40 KGGB C#CCOc1c(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(I)cc1OC 408957195 SSWXMXQUJHHUCV-MDTWIARKSA-N 676.464 3.041 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)ccc1OCC(=O)Nc1ccc(C)cc1 409006066 HHRVWIUBTFKQOI-IBBHUPRXSA-N 545.596 3.050 50 40 KGGB COc1ccc2nc(O)c(/C=N\NC(=O)c3nn(-c4ccc(C)c(Cl)c4)c(=O)c(C#N)c3C)cc2c1 409061758 HOUNQTAUSNUWHX-NVJOKUIPSA-N 502.918 3.401 50 40 KGGB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O)NNC(=O)c1ccccc1 3358440 UMXATBKSVXTUIF-UHFFFAOYSA-N 512.305 3.412 50 40 KGGB COc1ccccc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 59443908 UPRGVUKUSIDNPZ-OVVQPSECSA-N 511.600 3.096 50 40 KGGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)cc2)cc1 408534844 MQQAONZMJYZZBP-VOZXZEHESA-N 609.380 3.467 50 40 KGGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1Cl 408678774 BYEXYSWYINGJHV-VNUXUXBQSA-N 576.669 3.298 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408687992 VVSLOOCYLOAGMD-BQLFOJHWSA-N 570.278 3.071 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c1 409121497 XLJSJCPXSKVJTD-JVWAILMASA-N 509.584 3.277 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Br)cc1F 409158968 UNBWOXSGHPIPRV-PNQUVVCRSA-N 601.385 3.110 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 19816762 LJBVHVIIZCDSSC-JVWAILMASA-N 527.599 3.375 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)NC[C@@H]1CCCO1 58881676 JXQIBPJUOXJTLQ-JBIOKXMTSA-N 516.554 3.242 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70706603 UUEZBKXLUNDXSZ-TUJAHOCZSA-N 517.575 3.460 50 40 KGGB CCCCOc1ccc(C(=O)N/N=C(/C)[C@]2(O)Cc3c(O)c4c(c(O)c3[C@H](O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)cc1 150387466 UADFMYZNFNRCDC-ZMTUHPELSA-N 717.772 3.425 50 40 KGGB COc1ccc(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)c(OC)c1 408678807 DDQBTSUKZNAFAX-KPIIRZJKSA-N 515.360 3.466 50 40 KGGB COc1ccccc1C(=O)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 408682858 KAZHZHCBBJJVCS-RNLQGSBTSA-N 529.339 3.211 50 40 KGGB Cc1oc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1Br 408863174 PYIWDBMXTSDLQL-JFLMPSFJSA-N 586.468 3.494 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1OC 409158018 JSVDIBUXDZEYJW-WCMJOSRZSA-N 553.015 3.492 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1 409166626 FNGNDOBWEAIVHS-MFYUCYCASA-N 673.302 3.134 50 40 KGGB O=C(NNC(=O)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1)Nc1ccc([N+](=O)[O-])cc1 20365871 QRXZHCQRFFIAGB-LBPRGKRZSA-N 501.809 3.072 50 40 KGGB COc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCCC(=O)N/N=C1/C(=O)Nc3ccc(OC)cc31)C(=O)N2 97959606 FGPFTPXOYPSJQM-UHFFFAOYSA-N 548.600 3.070 50 40 KGGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cccc2OC)cc1 408607931 FTJJYVUIDXXRGT-RWPZCVJISA-N 504.543 3.427 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1C 408874356 AMZFMFBNKRDKET-FDVSRXAVSA-N 503.559 3.364 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(C)=O 409379353 WIWVCQWHRMBIAT-LQJZCPKCSA-N 785.715 3.412 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 1529545999 CGZMQIAFRJPWHC-SJUCLPJRSA-N 508.600 3.136 50 40 KGGB O=C(O)COc1ccc(/C(=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2)cc1 33680960 JXNSGVWKAGUSOI-IMVLJIQESA-N 507.568 3.117 50 40 KGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c1 100110747 GYDATRJZZULJSE-MTDXEUNCSA-N 551.625 3.394 50 40 KGGB O=C(CN(CCC1=CCCCC1)CC(=O)NNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1 102923385 NOKZPINBLWLUNT-UHFFFAOYSA-N 546.455 3.408 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408690905 XCLOHWRMPLYLAQ-FZDBZEDMSA-N 602.276 3.047 50 40 KGGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 408790012 PZSMVRYESZYTID-TURZUDJPSA-N 562.608 3.128 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c(I)c1 408939676 BFZMFLJIDSGWFR-JOCHJYFZSA-N 608.458 3.185 50 40 KGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 409029166 YOOVTFQJZOSNHU-WPWMEQJKSA-N 558.016 3.430 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc1 409157021 TZDHGXPXNVGMTD-LGJNPRDNSA-N 503.397 3.450 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC 409160763 XCPGYEDOYBGSNO-WCMJOSRZSA-N 569.014 3.192 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409165673 AONDUFGNMBYJRB-XODNFHPESA-N 539.416 3.401 50 40 KGGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 97972320 JQWGGMTWQIBQJR-IURWMYGYSA-N 542.470 3.218 50 40 KGGB O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 101007411 JCZWTUVFLTZFOD-AOEKMSOUSA-N 580.785 3.450 50 40 KGGB C#CCOc1ccc(Br)cc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408946906 MZIPVDUISXYNEB-DEOSSOPVSA-N 585.480 3.346 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(=O)OC 408973760 UVIKKVBDFFUJRT-MMOHFDRGSA-N 513.591 3.006 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Br)c1OCC(N)=O 409003737 UNXFLHWESIRDPK-OEHLLJELSA-N 729.391 3.356 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409160535 QZRSXATYVAWWTK-AMVVHIIESA-N 538.523 3.113 50 40 KGGB CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1OC 409310605 BHIKLJBICANBAM-KSEXSDGBSA-N 542.326 3.325 50 40 KGGB O=C(C[C@@H]1SC(=O)NC1=O)NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 245228768 FEMXHYOTOSALFU-WHQLEYSCSA-N 579.125 3.105 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1Cl 408688235 QBONIVLCLZTSDU-DBIOUOCHSA-N 571.049 3.397 50 40 KGGB CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1 408772572 CZFHATOIGRLJTF-CFRMEGHHSA-N 549.403 3.008 50 40 KGGB COc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408780357 BFPVDPLFIRKCTN-UHFFFAOYSA-N 600.451 3.084 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)c(OC)c1 408921612 AWSYIJRPFXJTMN-SJHQEIOHSA-N 537.617 3.262 50 40 KGGB O=C(NNC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc([N+](=O)[O-])cc1 409380393 MGWLAUGTAVIFHJ-PMACEKPBSA-N 590.328 3.198 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 1529547404 LAHHVAKCWPBYGR-RJRLBWOVSA-N 579.591 3.445 50 40 KGGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 15134827 HSWMCDIGUXZDJD-FBCYGCLPSA-N 503.103 3.363 50 40 KGGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408762240 JRTGTESYTXKVMN-YDZHTSKRSA-N 511.541 3.481 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408766620 VXZLYKWQUKCBBR-LFIBNONCSA-N 566.386 3.289 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C 409153917 IYRRDYNKYGODTN-KIBLKLHPSA-N 584.798 3.008 50 40 KGGB CCOC(=O)Cn1cc(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 1529549277 XADGOYNGTFYMHD-KSVGWBHNSA-N 577.663 3.089 50 40 KGGB C[C@H](OC(=O)COCCOCCOCC(=O)O[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060993626 QTZPYAIRBJSUJC-PMACEKPBSA-N 710.605 3.024 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408677430 AOXRLZICMLIAEG-BZDUYGCESA-N 584.305 3.461 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)ccc1OCC(=O)Nc1ccccc1Cl 409000890 ZSXYRDKCUMFYOI-CQVQTMJSSA-N 684.146 3.135 50 40 KGGB CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1O 409112497 DCAKPLOQNJTGII-MTDXEUNCSA-N 538.626 3.133 50 40 KGGB COc1c(I)cc(I)cc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 409123175 FIGUDZBJPNNRAL-LBPRGKRZSA-N 534.095 3.154 50 40 KGGB Cc1cc(Br)cc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1 409247869 DERYXZPRSIAGMB-KKMKTNMSSA-N 527.375 3.443 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 59646491 PLVMTYQLNBRKQG-STBIYBPSSA-N 552.653 3.253 50 40 KGGB O=C(NCc1cccnc1)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100398293 BPODZZAGLIIQCK-LJUMEUDFSA-N 566.039 3.486 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1)Nc1cccc(C(F)(F)F)c1 409258178 RUPCITJVVITECU-NSKAYECMSA-N 527.297 3.214 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409265834 WAONCPHKKYCQIA-WKULSOCRSA-N 533.025 3.446 50 40 KGGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409324833 VIKQNWKXPDLCOH-FCHUYYIVSA-N 521.595 3.454 50 40 KGGB CN(CC(=O)NNC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 102993765 DSVGSCDUKPLLPF-UHFFFAOYSA-N 601.106 3.305 50 40 KGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1 408531636 HETKHZCORANBNR-KZJCWCHPSA-N 609.380 3.087 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408687011 OHAJFGUWKQUBRR-JHWMSLHWSA-N 628.314 3.148 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 408687710 VHIGAEKCAKFHHS-YMKLRKBFSA-N 583.060 3.253 50 40 KGGB COc1ccc2cc(/C=N/NC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4)CCN3S(=O)(=O)c3ccccc3)c(Cl)nc2c1 408861326 QMJPIKZIZRIIQR-ULPGGUMISA-N 628.132 3.111 50 40 KGGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 408866511 GDSGXVJJBSXYSC-IPISDEMTSA-N 524.599 3.018 50 40 KGGB C#CCn1c(C)c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 408943692 IBCHTGYWVGVBJR-MHZLTWQESA-N 543.649 3.468 50 40 KGGB C=CCOc1ccccc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408945735 LIBYASKREXWXLO-XMMPIXPASA-N 508.600 3.136 50 40 KGGB Cc1cc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1Br 409252744 SQDOWJDTNRSRRE-MZJWZYIUSA-N 533.423 3.156 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409262342 GWXSOKBHZZEJMI-KBVAKVRCSA-N 532.597 3.495 50 40 KGGB O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 1882156 AIJACDHJPZZMNN-FRGFMFJBSA-N 554.353 3.312 50 40 KGGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(CN3CCOCC3)c3ccc(Br)cc32)c1 2254629 DUXWYJXROIAKQO-ZZIIXHQDSA-N 529.435 3.417 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)cc1Cl 20213165 DXRPHIPWTUPWBD-SSDVNMTOSA-N 517.833 3.093 50 40 KGGB CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2OCCOc2ccccc2)cc1 97940432 GPQQVDMRSSEUPV-UHFFFAOYSA-N 551.621 3.426 50 40 KGGB CCOc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2CC(=O)OC)cc(OCC)c1OCC 103919693 WWBCGPUFRXCQHB-JLPGSUDCSA-N 569.571 3.265 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1C 408609771 LJFWKDHHAMENDT-OPEKNORGSA-N 519.396 3.067 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408778843 MJZUATKRAGYFHQ-JVWAILMASA-N 527.599 3.375 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)OC)c(I)c1 408945009 JZJVMXQRCFZCDN-QHCPKHFHSA-N 745.390 3.491 50 40 KGGB C=CCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408950369 SESJPKDFMSPWAF-VWLOTQADSA-N 538.626 3.145 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc(C)c1Br 408691042 XVNCKAOZNAYWIA-ZEKOBOIGSA-N 532.218 3.013 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc2c(cc1Br)OCO2 408953812 YGBDPTNWHKQUGW-JOCHJYFZSA-N 575.441 3.063 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc1OC 409010269 BLUMBVRZSSZCQY-NTFVMDSBSA-N 506.559 3.316 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OC)c(OC)c1 1529545055 URXGCDPSWYWFQM-BOGNPUBTSA-N 591.484 3.351 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)cc1 15228801 DNOWYVCSRMBQGH-PWDRKSFLSA-N 523.659 3.418 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2ccc(C)cc2)cc1OC 16292536 RVGPDTFCUMEKSP-VULFUBBASA-N 511.556 3.087 50 40 KGGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)ccc1Br 408690214 UIDBPVMINCAINB-JYUSNPHGSA-N 621.120 3.407 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)cc1OC 408859263 RSJGCPAYCJUSBU-ZVHZXABRSA-N 540.436 3.338 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1OCC 409025971 CGCYUSDRMXLPEP-LPYMAVHISA-N 545.399 3.005 50 40 KGGB C#CCn1cc(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 1529548194 AXLYLJHUZQDVTN-ZWBHZEOHSA-N 529.622 3.160 50 40 KGGB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 101228540 RZZDHBZNOFPSHM-HJCDNBPFSA-N 541.236 3.276 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2)c(OCC)c1 408607618 DUDQNEVNHNKIPZ-VULFUBBASA-N 519.396 3.232 50 40 KGGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cccc2C)c(OCC)c1 408609601 KKALXQWHAKAGAI-UVHMKAGCSA-N 533.423 3.458 50 40 KGGB C[C@@H](C(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408656433 MIYYYRLDSAAQBA-PUTQEGEXSA-N 534.399 3.429 50 40 KGGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2I)cc1)C(=O)N1CCOCC1 408767023 UXFOZDURFNRENF-GHRIWEEISA-N 517.323 3.074 50 40 KGGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408878323 AIEAYZKWBOZODN-LPYMAVHISA-N 500.445 3.043 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)c(OC)c1 8384558 LTHZCTZEWBCSAP-KKENALDGSA-N 600.220 3.143 50 40 KGGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)c1ccc2c(c1)OCO2 102188407 YMGDEUYITCOKSP-CQBFRLIXSA-N 550.993 3.339 50 40 KGGB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 250255431 PZQVEXOIVNBRCZ-QKIVABDASA-N 664.259 3.318 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCC#N 408952720 WRFCHXVPEWGHGZ-HSZRJFAPSA-N 542.017 3.127 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OC(C)=O 408953274 XHIAPSAVNNDNDX-QHCPKHFHSA-N 589.468 3.259 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(Br)c2)c(OC)c1 408957537 UUVIHVVQZKEINI-SGKVZYEOSA-N 667.897 3.383 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1OCC(=O)O 408971991 NDAIVQPYYXBVIW-SDHJZUEUSA-N 611.433 3.132 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC 409110556 WKSWXWKLZZTXHH-OGLMXYFKSA-N 538.626 3.394 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(=O)[C@H]2C(=O)OC)cc1 409303603 NPCRXIIJGSNBKJ-YADHBBJMSA-N 507.568 3.200 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409337820 WQGCSRHRHZCZSW-ZVHZXABRSA-N 503.602 3.428 50 40 KGGB O=C(NN1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccc([N+](=O)[O-])cc1 9591186 HQSIDDBZPPZALP-MAUKXSAKSA-N 508.314 3.165 50 40 KGGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(Cl)cccc4s3)cc2)CC1 11758009 LSYOHUACFUGNDI-UHFFFAOYSA-N 524.024 3.169 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccc(Cl)cc1 28213296 AKNVOCUOWCAJNY-CVKSISIWSA-N 514.991 3.274 50 40 KGGB CSCC[C@H](C(=O)N1CCCCCC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408688772 XKNADNFDFSDNMB-OINWIYPRSA-N 536.330 3.289 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccccc2Cl)cc1 408825367 AFYNOXMHNTYHFU-UXHLAJHPSA-N 585.082 3.232 50 40 KGGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408956619 RIKYTULOFDLOCN-XEXDPSGUSA-N 647.081 3.409 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(OC)cc2)cc1 409266452 YXCSZHMIKNOTHP-OGLMXYFKSA-N 502.527 3.366 50 40 KGGB CC(C)Oc1c(I)cc(/C=N/NC(=O)CC2(C)OCCO2)cc1I 97965475 FXICHMYDZOSGAT-DJKKODMXSA-N 558.154 3.286 50 40 KGGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1OCc1ccc(Cl)cc1 97966673 YRPYQZQPJNDKJK-AMVVHIIESA-N 580.049 3.469 50 40 KGGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@H](Cc2ccccc2)C(=O)O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 102817056 GJLHYGAHXVIOTM-BDPGCAFISA-N 616.708 3.226 50 40 KGGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 408777315 YGFPKGDHSKGMHF-RGEXLXHISA-N 545.377 3.489 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O 408864273 YFFWMKDWHBPDIP-WGOQTCKBSA-N 526.571 3.489 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409171089 YBCKOXQJBPCASC-PBEVGHANSA-N 596.422 3.081 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(I)c1 59246651 OPVMOQINJBNWDC-FMCGGJTJSA-N 513.763 3.306 50 40 KGGB N#CC(=NNc1ccccc1)C(=O)N/N=C(/c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 245238969 DCBKXOBZVHUKFK-DNUFIAHOSA-N 500.584 3.477 50 40 KGGB CCOC(=O)COc1c(I)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408943629 HXIRPXLILIAJPR-VWLOTQADSA-N 710.547 3.127 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)c(OC)c1OC 409111643 BSVRWSKOWBMCGE-JFLMPSFJSA-N 515.563 3.193 50 40 KGGB COc1ccc(C(=O)NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc4c(c2)OCO4)N3)cc1 1326695 OJHODESNGXAKDS-BEFAXECRSA-N 503.437 3.356 50 40 KGGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2I)[C@H](C(=O)OC)C(O)=N1 8973553 MJAXWZKFQKEIAT-CABCVRRESA-N 500.314 3.166 50 40 KGGB O=C(CSc1nc2ccccc2s1)NNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 102994467 QASAEDVYNWHIDY-UHFFFAOYSA-N 556.647 3.422 50 40 KGGB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1 408652245 CANHRGQWRIVXOR-IBGZPJMESA-N 574.428 3.153 50 40 KGGB CC(C)OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408669606 XHLIIDKUGFQUJJ-UHFFFAOYSA-N 503.939 3.018 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)cc1 408676906 AMZWJBOUWNYTFO-BQAIHONLSA-N 545.375 3.239 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 409256099 JVQDUDASHSOHOF-OKCVXOCRSA-N 502.571 3.404 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1 409350300 XRUAIYVPUIKHJG-AZPGRJICSA-N 506.584 3.086 50 40 KGGB COc1cc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(Br)c2)ccc1I 100197489 GSJVBFURZVKWHB-DNTJNYDQSA-N 533.116 3.290 50 40 KGGB COC(=O)COc1cc(Br)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408751469 ZTIZJHLETANGDC-JFLMPSFJSA-N 527.371 3.396 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)C(C)C)cc1 408767067 VHXORZNUJCPIHE-NHVVDLMHSA-N 574.637 3.124 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Br)cc1C(F)(F)F 409171088 ZACCUZMOMSKGAM-LEDXJWTESA-N 601.376 3.239 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(Cl)ccc2C)cc1 409264807 QOZWLWFTHYEFFK-WKULSOCRSA-N 508.962 3.441 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1 409319358 FACMFYMKTJZNRM-UXHICEINSA-N 513.959 3.236 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409320991 DBMDBGBXEKOWFR-SFTDATJTSA-N 544.427 3.245 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2cc(C)cc(C)c2)cc1OC 100304364 PSFMHGRWOSXWDX-UXHLAJHPSA-N 611.677 3.411 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 103896653 YTAXZHADEAVVPJ-DFVFNMDZSA-N 552.653 3.258 50 40 KGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)cc1 408531647 HETKHZCORANBNR-MMOHFDRGSA-N 609.380 3.087 50 40 KGGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1Cl 408678032 BGDMTPKGYLLHBL-SYQHCUMBSA-N 550.631 3.052 50 40 KGGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1 408866786 GRBUMKRIAZSLHZ-ZMOGYAJESA-N 503.378 3.198 50 40 KGGB NC(=O)N/N=C/c1cc(I)c(OCc2ccccc2)c(I)c1 408880389 HOZCLSGQBZHQID-UFWORHAWSA-N 521.096 3.477 50 40 KGGB COC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2ccc(I)cc2)cc1OC 10476117 YEJRYOHIZRXKIC-ZVBGSRNCSA-N 502.692 3.269 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1Cl 20213007 XDAJRNMOORESPK-DHRITJCHSA-N 510.012 3.285 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 408860062 RNGRCMNLKYSKOJ-YYMYZCKOSA-N 585.082 3.360 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c(OC)c1 408925011 RNHXYRSDWFQPPN-DZTMEJILSA-N 590.593 3.341 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc2)cc1 408979946 OTZCVJLZSKZDHD-UMFTVLFGSA-N 510.528 3.192 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1O 409162977 KEWUXEKRACZGFH-ZVBGSRNCSA-N 501.708 3.446 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Br)cc1C 409168332 LLEPILODWJCMNX-VVEOGCPPSA-N 597.422 3.279 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409174126 LKMMFCCQLCTQLE-IETDBYTCSA-N 584.386 3.211 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)c2ccc(Cl)cc2)cc1 20061147 HJUDOXHSLWITQO-AFUMVMLFSA-N 503.964 3.408 50 40 KGGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1cccc2ccccc12 36417634 BDHRMGLZGYCFFC-PCLIKHOPSA-N 515.433 3.059 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(C)cc1 103865214 JSFIKIBHFPHYNV-QFEZKATASA-N 537.398 3.360 50 40 KGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408862757 LVERMRYJNLLARC-HQUMBPMSSA-N 558.660 3.462 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1 409379641 YXGSVOTXTLVDEQ-LOSJGSFVSA-N 589.601 3.195 50 40 KGGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408536885 SZOCBUVHWCQWCA-GHLCXDMXSA-N 521.961 3.191 50 40 KGGB CCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1 408648082 XLLCGOBOXOLWEI-UHFFFAOYSA-N 503.939 3.020 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OCC#N)cc1Br 408943535 HTGGEQNQTVUJSQ-XMMPIXPASA-N 616.494 3.245 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@H](NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)C(C)C)cc1 6190712 CECWGMHKTCMQSE-XMMPIXPASA-N 518.570 3.172 50 40 KGGB CCCNC(=O)C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 15133782 VGGGDBVUBNDLFZ-KJZKEPBCSA-N 520.589 3.174 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)ccc1OCc1cccc(F)c1 97966669 FKWLSHLRDMWGEW-IBBHUPRXSA-N 577.621 3.345 50 40 KGGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408534459 MAQFFQABXWGLFS-BIXBROTJSA-N 528.363 3.049 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc3ccccc23)o1)C(=O)Nc1cccc(Cl)c1 408807328 HCPGQZAPOXCORO-FDVSRXAVSA-N 517.929 3.430 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408863049 KNLADNGYJLMQFE-MWVBGNBESA-N 624.716 3.032 50 40 KGGB COC(=O)COc1c(Br)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408904787 OPKTUMUIWWKAKQ-AFPJDJCSSA-N 506.265 3.428 50 40 KGGB COc1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 408992194 SILNBJHDFHEYME-ZKAWIHBPSA-N 500.353 3.169 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1OC 409025044 KPXLMDICAVWOJS-LSHDLFTRSA-N 504.348 3.064 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409172994 HBKRNDWLKDGJEX-OBPDLJBASA-N 539.814 3.493 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(O)cc1Br 1529547866 QFSWCIMTYCLACA-FXDWWMIYSA-N 577.457 3.048 50 40 KGGB COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1 2266656 HDCSXBORZOUNCR-CXBSRYKNSA-N 528.407 3.119 50 40 KGGB COc1ccc(/C=N/NC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)cc1CSc1nc2ccccc2o1 102277549 GSUJPGLORIMIQA-XODNFHPESA-N 574.627 3.034 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2ccccc2)c(I)c1 103864491 XSBNZSDGUJPNJY-FMCGGJTJSA-N 558.214 3.415 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2cc(Cl)ccc2OC)cc1OC 408832221 QAVDEDRTRFWZMG-PCQIFPHTSA-N 675.160 3.385 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1Cl 408860422 VIGVBIYYZBZISO-MZJWZYIUSA-N 532.981 3.413 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccccc2)cc1 408867514 LHUXXSXOOONUMC-IAEWTUJKSA-N 564.664 3.015 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCC#N 408950639 SFCZOFJGPWORAF-QHCPKHFHSA-N 586.468 3.236 50 40 KGGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 2054805 KUGXWHGJQWCJMN-NUYBRBLBSA-N 540.326 3.270 50 40 KGGB Cc1cccc(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)c1 98001654 CXJKRTLIZVWMAY-UFWORHAWSA-N 536.107 3.439 50 40 KGGB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 102996224 UUFCCDNZBRXBKZ-ZDUSSCGKSA-N 589.454 3.061 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408690267 UQMBFIYKNUGOKJ-WYUUTHIRSA-N 571.049 3.397 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc(Br)c1OC 408861296 BQHVXKAYENDPDK-UFFVCSGVSA-N 549.241 3.145 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OC(C)C)c(OC)c1 408958200 XTVBYUOVKRCVBC-BAWRWLFMSA-N 524.574 3.203 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409152975 CGFSAEBBWUDRNJ-ZAKSKNOPSA-N 537.400 3.155 50 40 KGGB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1 18255968 BDONKWODKKTWLD-QUSNUVHPSA-N 514.214 3.022 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccco2)c2cc(Cl)ccc2OC)cc1OC 19956014 CSWPXCWJINOYMA-ZMOGYAJESA-N 507.952 3.304 50 40 KGGB CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCn2ccnc2)c1 101099084 YUWXXQNCCFMQDR-CJLVFECKSA-N 529.626 3.100 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 408945557 LAHHVAKCWPBYGR-VWLOTQADSA-N 579.591 3.445 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cccc3C)c2)cc1OC 409266753 YFYHSJIBMUHYJN-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19956034 XQUKLPIEWFFFFO-MFKUBSTISA-N 512.544 3.266 50 40 KGGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 229861409 BCOCWDQCPRYCFE-ANULTFPQSA-N 519.311 3.376 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408781888 FNEUNFKQLKXBBG-CVKSISIWSA-N 542.570 3.275 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccc(Cl)c(Cl)c1 408925446 TVWUPVKRHVMABJ-KKMKTNMSSA-N 553.424 3.198 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)c2ccccc2OC)cc1 409027250 CCXKIBLYGXWXEK-MTDXEUNCSA-N 524.599 3.398 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409152958 GUGSWHUREJABEC-GOCYDNRNSA-N 622.460 3.070 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409164873 OZLKHESRQJMVNV-XAZZYMPDSA-N 674.448 3.211 50 40 KGGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OC)c2)cc1OCC 409315221 UUMZNHXICJGNIH-ROTLSHHCSA-N 506.353 3.049 50 40 KGGB COc1ccc(OC)c(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)c1 409368956 UPWHJPMAPXXZSP-YUMHPJSZSA-N 511.600 3.362 50 40 KGGB C[n+]1c(COc2ccc(/C=N\NC(=O)CCC(=O)N/N=C/c3ccc(OCc4cn5ccccc5[n+]4C)cc3)cc2)cn2ccccc21 150407149 PQBWJZUNHOXOQG-NSQVWVJGSA-P 644.736 3.380 50 40 KGGB COc1ccc(C(=O)NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl 150452666 VHXRCPSJLRRSMP-UHFFFAOYSA-N 674.610 3.455 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)ccc1Br 408678657 BTGPJLSBCQZIFG-NEBZKDRISA-N 595.082 3.161 50 40 KGGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408780089 RSKOBQLXQUUVNP-MYKKPKGFSA-N 525.370 3.162 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2Cl)c1 409257315 OARZZDYUKXDPSQ-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cc(C)ccc3C)NC(=O)[C@H]2C(=O)OC)cc1 409303602 NPCRXIIJGSNBKJ-VXKWHMMOSA-N 507.568 3.200 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)c1CNc1ccccc1 2204254 JFOYILFIHLHFKL-LUOAPIJWSA-N 548.907 3.430 50 40 KGGB C[C@H](Sc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)s1)C(=O)N/N=C/c1ccc2c(c1)OCO2 100953329 JQCIKJJLHFINRL-XQLZHFCCSA-N 586.677 3.257 50 40 KGGB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 103043428 OCKBQKFWOALBAK-OALUTQOASA-N 505.600 3.182 50 40 KGGB CCOC(=O)NN(C(=O)OCC)C(=C(C1CCCCC1)N1CCOCC1)N(NC(=O)OCC)C(=O)OCC 104209632 YNLOKVPDYGBMBM-UHFFFAOYSA-N 543.618 3.307 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408687709 PFRXLDNWMZLHHJ-YRXWBPOGSA-N 597.249 3.181 50 40 KGGB COc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408775008 FEJKSMAKSWXYKS-UHFFFAOYSA-N 512.975 3.325 50 40 KGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccccc1 408861175 OSPTVMWKTVPZNQ-UXHLAJHPSA-N 585.082 3.232 50 40 KGGB CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1OC 408923751 LPFCEQJEHRFEHP-RQDDCGEVSA-N 605.442 3.195 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(Br)c2)c(OC)c1 408957538 UUVIHVVQZKEINI-ZMKIWGOUSA-N 667.897 3.383 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408957973 WSHVWXBJOMUKRN-GKFWUUHHSA-N 566.611 3.379 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409150249 AYDANZYVFZPYES-IPPBACCNSA-N 628.439 3.228 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Br)cc1 408691398 ZRPXAQBNNARHGZ-PWTXATHPSA-N 607.093 3.099 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccccc1C(F)(F)F 409161324 SWAYGLMFXNYFHF-LACLZEAZSA-N 662.403 3.472 50 40 KGGB Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 409379640 YXGSVOTXTLVDEQ-JWQCQUIFSA-N 589.601 3.195 50 40 KGGB CCCCOc1ccc(C(=O)NN(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)cc1 9553519 DFZUHQBUKHNZEJ-UHFFFAOYSA-N 500.621 3.266 50 40 KGGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103558613 VOZLIOSVTCAVIP-MXEMCNAFSA-N 519.311 3.376 50 40 KGGB C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)c1ccccc1 408810062 OWGWUBPXWOONFX-SQOYCZJHSA-N 530.368 3.169 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cccc(Cl)c1 408873052 MKVYJCJGCPGWIT-ULPWCQAASA-N 535.866 3.296 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(I)c2)c(OC)c1 408948646 CZJUMRZHVBXFEK-ZMKIWGOUSA-N 759.348 3.334 50 40 KGGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 409000406 WHHLNYBTXAJOLR-RBFRQYDUSA-N 608.651 3.022 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1 409157981 QUROXJXLOPAGSG-NPLHSSQESA-N 551.825 3.174 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 103899616 DHMNXXJXFFKQGA-KCSSXMTESA-N 606.657 3.338 50 40 KGGB N#CCC(=O)N/N=C1\C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)[C@@H]1c1nc2ccccc2s1 104277989 ANNQCDWSZQAHJE-CBEMMOEPSA-N 500.323 3.215 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1 408801401 SVBMDZAWTZEJQV-AJBULDERSA-N 637.740 3.100 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408860354 ZLPUKHULGYKMEC-LQKURTRISA-N 570.624 3.025 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2F)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408865993 FEKZAEFYEFSVCW-BCHBDCPOSA-N 520.304 3.069 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c(OC)c1 408949187 DYNMBYWUBWGHSD-OPLYUBKWSA-N 609.419 3.186 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1cccc(I)c1 408776195 UZVXHJULSWBUOB-UDWIEESQSA-N 550.216 3.360 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c(OC)c1 408923996 MOQXUGNYZCDUKN-WZAVBVGXSA-N 533.585 3.215 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(I)c2)c(OC)c1 408952883 KUEYTWQCVHBXJV-OXQYWEMVSA-N 792.321 3.088 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)c(=O)c1C#N 409003947 MOPIIWRKLBBQQM-IURWMYGYSA-N 610.465 3.422 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)ccc1OCC(=O)N1CCOCC1 409020892 VHMKMYNYIPJONE-BRJLIKDPSA-N 585.249 3.317 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409116574 OEICWLPHSWIOAD-UXHLAJHPSA-N 584.651 3.415 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 409161918 WXAYODHFSNKKAS-OCSSWDANSA-N 502.571 3.139 50 40 KGGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1OC 409170350 UXABVPLGENEBMZ-UXHLAJHPSA-N 502.571 3.084 50 40 KGGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC(N)=O 409226577 VATFSNCDVXARMQ-LFYBBSHMSA-N 511.703 3.363 50 40 KGGB COC(=O)[C@]1(C)Nc2c(O)cc3c(c2C1=O)C[C@H](Cl)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 3918072 ILRQRCTVPANBBE-GWQKEKGPSA-N 543.960 3.250 50 40 KGGB biogenic CSCC[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 103551935 IBJXLVDWIALGNG-GDHWNJEZSA-N 573.303 3.312 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCc1ccc(Br)cc1 408614241 ACVYJNNBSBSHHK-VULFUBBASA-N 506.397 3.418 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Cl)c(Cl)c1 408682238 KMGBYKCQTZTSRD-JUYHGQFASA-N 583.060 3.253 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2cccc(C(F)(F)F)c2)cc1 408862885 JCPIKINABOJRAR-AMVVHIIESA-N 548.543 3.224 50 40 KGGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 408875999 NAGHNBGCVXTMHE-ZKQTYJKJSA-N 538.626 3.326 50 40 KGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)cc1 408923443 XUWGHIJOPLBBAJ-WXUSHSQQSA-N 529.400 3.385 50 40 KGGB COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc([N+](=O)[O-])c1O 408979564 MVLPTALVZBZKFR-PXMCARDJSA-N 512.544 3.177 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)Cc2ccccc2)cc1 408999239 UDECFURDQKIYGZ-CAQPMQTCSA-N 590.658 3.325 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(-c3ccccc3C#N)o2)c(=O)c1C#N 409006171 YGMZFBZUAZCXLM-BCHBDCPOSA-N 508.332 3.219 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(OC)c1OC 409111708 CBZFQSHOWCKQSK-JVWAILMASA-N 511.600 3.362 50 40 KGGB C[C@H](OC(=O)COCCOCCOCC(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060993625 QTZPYAIRBJSUJC-BGYRXZFFSA-N 710.605 3.024 50 40 KGGB O=C(OCC(I)COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 2187281 QUZFQKGCCRXLJS-UHFFFAOYSA-N 500.201 3.320 50 40 KGGB COc1ccc(CC(=O)N/N=C/c2cc(Br)cc(I)c2O)cc1OC 97961801 PVSZDYPBQXSKFQ-AWQFTUOYSA-N 519.133 3.469 50 40 KGGB O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)SC1=S)NNS(=O)(=O)c1ccccc1 150455586 CKNMHCPGDJLKOB-OCEACIFDSA-N 799.038 3.059 50 40 KGGB COc1cc(C(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)ccc1I 408842764 BDPIEGICFYWZIA-JMIUGGIZSA-N 534.148 3.256 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3nnc(NC(=O)c4ccc(OC)cc4)s3)o2)cc1 408971919 LYPKERNKYLMLAQ-JFLMPSFJSA-N 533.566 3.929 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409166422 DQUTZFVHZUGCOT-KKMKTNMSSA-N 543.374 3.143 50 40 KGGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)cc(I)c1O 409179308 RCQOCTZWJPZGRJ-CNHKJKLMSA-N 567.077 3.282 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)cc1 409248617 FBHMSLRGZCKMTE-IPPBACCNSA-N 512.925 3.272 50 40 KGGB C#CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548904 POCIAOHHNOVTHQ-NBUDSHOTSA-N 541.029 3.237 50 40 KGGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 1100260 NBYSNRGTPRQZOI-WYMPLXKRSA-N 505.394 3.277 50 40 KGGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 2277820 TVTMBXUKLIHUCY-MLVHTHFLSA-N 524.371 3.434 50 40 KGGB O=C(NNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)OCO2 3446933 VHLJACMDWQKOOQ-DEOSSOPVSA-N 529.574 3.145 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Cl)c1OCCOCCOc1cccc(C)c1 8772121 ATEWXVPCVDZXNL-VULFUBBASA-N 520.011 3.258 50 40 KGGB CC(=O)OC[C@@H]1O[C@H](N2C(S)=C(C#N)[C@@H](c3ccco3)C(C(C)=O)=C2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 82195525 AAFMDQBCBDIIJN-XMYGIGDBSA-N 652.678 3.427 50 40 KGGB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)c1 408676801 AGOPKVAVFDDFBZ-ZOQGBNKYSA-N 547.391 3.469 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 408993308 WCNAFZIVFBUUJP-OCVIWRJKSA-N 513.396 3.226 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 19955916 ZECZONNGHOFIBA-WPWMEQJKSA-N 524.599 3.398 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1cccc(Cl)c1 28213274 VQHTVYBRXYYRBZ-CVKSISIWSA-N 514.991 3.274 50 40 KGGB O=C(NNC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 102995335 ILGFLHJIITVSJN-LJQANCHMSA-N 577.482 3.377 50 40 KGGB COc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccc(C)cc2)cc1OC 104698431 CCLOQZRVEFFSAJ-UHFFFAOYSA-N 587.452 3.443 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)c1 409025585 TYSVYRQNIZNZQD-VEMGOHLESA-N 525.583 3.336 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409378690 ROZYIGXUJPTYGR-NHCUHLMSSA-N 575.357 3.299 50 40 KGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]21 33959704 LODGWRLHSKDXBY-QLWLQATQSA-N 501.536 3.290 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1 408644424 FQGZRRPNWOTSSC-UHFFFAOYSA-N 503.939 3.020 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 408859289 SBLYKKCHNVXYQH-VOWJQMTESA-N 585.082 3.360 50 40 KGGB CCOc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCC(N)=O 408864150 SOCQJUWMHFPMCC-JQAMDZJQSA-N 554.412 3.461 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 408924494 ORPVXSIPZOAYSP-GDWXBDPWSA-N 521.357 3.332 50 40 KGGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cc(I)cc(I)c1O 408972311 AHANPJBHNSDMHI-BMZJSHLCSA-N 589.171 3.068 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409152839 KDKKKYXZOFLXHE-IPPBACCNSA-N 577.476 3.473 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1OC(C)=O 1529549371 XHIAPSAVNNDNDX-KVURCKEDSA-N 589.468 3.259 50 40 KGGB COc1cc(/C(O)=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc(OC)c1OC 6146382 AXURPNPWIBFZRN-UHFFFAOYSA-N 521.498 3.441 50 40 KGGB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1CCSS1 247956793 NTUJKFCBMVRCFR-PSELDJGJSA-N 634.931 3.489 50 40 KGGB in-vitro Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 408777958 NCTLFWDABXGYBP-KKMKTNMSSA-N 516.341 3.239 50 40 KGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1 408921095 SDWZRCUPRQTNHO-FRDWBBKPSA-N 552.653 3.085 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2Cl)c(OC)c1 408957248 SZXFYHWQVOONNN-SHIRAINQSA-N 500.939 3.069 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1cccc(C)c1 409168847 OAGYGKOZOGRQEX-PASSITCSSA-N 580.423 3.381 50 40 KGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(O)c(I)c2)n1 409236101 RAJSNKHSHXDMSW-NGYBGAFCSA-N 521.178 3.409 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(Cl)cc2)c1 409382985 SLZVMIBYCKDEBQ-YADHBBJMSA-N 538.940 3.254 50 40 KGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)cc(I)c1O 1445081 FPBUBUKGYLMRDO-CNHKJKLMSA-N 520.077 3.197 50 40 KGGB CCOC(=O)C1=c2s/c(=C\c3ccc(SC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(SC)cc1 2239987 VMZFRDYMBJQAHK-DMMSUNFISA-N 521.689 3.344 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1cccc(I)c1 19954292 CRCSIZOQPNWSRJ-UDWIEESQSA-N 505.765 3.251 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332569 RVBNWUVIRMGCEU-MZJWZYIUSA-N 586.648 3.452 50 40 KGGB N#CC1=C[C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 101030669 BCOCWDQCPRYCFE-XSDIEEQYSA-N 519.311 3.376 50 40 KGGB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)cc1 408689441 YDUNHEQPESFLOW-BQAIHONLSA-N 549.395 3.060 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1OC 408781013 PUGYAAABFUIFIR-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB COc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 408860567 YRAIHYLHMATIMR-QQZPLFJDSA-N 500.802 3.415 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409168569 MSXOWMLGPACBJZ-IBBHUPRXSA-N 546.580 3.215 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409388385 UXIFEBHYHUPDAC-AJQTZOPKSA-N 771.688 3.104 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(I)c1 1529545677 ALTHRJFKHPNLBS-NYSBMRNASA-N 731.363 3.402 50 40 KGGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 3665373 ANVLVYAUZVKOFY-JVWAILMASA-N 511.600 3.362 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 33354491 FRUGKGBXDKPKLQ-HEMYWOPUSA-N 565.564 3.472 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2sccc2C)cc1OC 59443923 CKXXOLLOJQQKHP-PCLIKHOPSA-N 501.630 3.457 50 40 KGGB COc1ccc(OCC(=O)N/N=C\c2ccc(I)o2)c(I)c1 97961061 JHVQSBWQVJVEBZ-IDUWFGFVSA-N 526.068 3.027 50 40 KGGB CC[C@@H](C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3)C(=O)O 102817294 MKLSGYFZQOELAG-FGPRDKTOSA-N 582.691 3.030 50 40 KGGB COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217356762 KXXWMEFKAIBNPA-RBJXUINXSA-N 501.543 3.148 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C(C)C)cc1 408753223 FMNJOKWSWLKPIG-RGXRWQALSA-N 574.637 3.124 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1cccc(Cl)c1 408868746 BBDYDBJHXRKGPU-MZJWZYIUSA-N 532.981 3.413 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408877439 VVZGZWDMQJYAII-OGLMXYFKSA-N 522.583 3.260 50 40 KGGB O=C(COc1ccccc1I)N/N=C\c1ccc(O)c(I)c1 408903911 BCWKYOCHWFDPGP-LSCVHKIXSA-N 522.080 3.131 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409113302 HOWMMXLBPQZUMY-FABQOPTDSA-N 666.709 3.355 50 40 KGGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409376613 BTGZBCGMMPPGGF-YADHBBJMSA-N 602.383 3.249 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC#N)c(OC)c1 1529548045 WHZXLSCBPOEQQC-OMHXNGIESA-N 663.494 3.087 50 40 KGGB COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 2154213 KXXWMEFKAIBNPA-ODYSXXKXSA-N 501.543 3.148 50 40 KGGB biogenic N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CC(=O)OCc1ccccc1)c1ccccc12 9695334 FXZCOYSAMDWWPU-LJAQVGFWSA-N 505.486 3.255 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)ccc2OC)S(C)(=O)=O)cc1Cl 20213162 HVQHXOSZNDLVMI-UFFVCSGVSA-N 504.790 3.036 50 40 KGGB COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1OCC(=O)NCc1ccccc1 408609854 SEITUEDJCAXBNH-WKULSOCRSA-N 508.962 3.441 50 40 KGGB O=C(CN1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1 408670920 YMXOUNKUJDXLBY-PRSBGKBPSA-N 520.372 3.041 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408681518 FMFTWESCJQQEBG-CRWXNKLISA-N 595.082 3.161 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OCC)c1 408943763 IEZQOWGNJNGDML-RUZDIDTESA-N 663.547 3.285 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409114140 JAVDPMITPSCOLC-JFLMPSFJSA-N 531.562 3.206 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1OCCOc1ccc(Br)cc1 9348206 IUQNWPITTDIAAM-ZMOGYAJESA-N 520.409 3.432 50 40 KGGB CC1CCN(Cc2c(C(=O)N/N=C/c3cccc(OCc4cccc(Cl)c4)c3)nnn2-c2nonc2N)CC1 97948039 LSFCMEKXOKSYST-IPPBACCNSA-N 550.023 3.461 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(O)c(OCC)c1 408943273 HJYBINIKIJECQL-JOCHJYFZSA-N 547.033 3.329 50 40 KGGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1O 12418867 JAUYYVDDDLVJER-FBCYGCLPSA-N 503.103 3.363 50 40 KGGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2I)[C@@H](C(=O)OC)C(O)=N1 17029220 MJAXWZKFQKEIAT-HUUCEWRRSA-N 500.314 3.166 50 40 KGGB Cc1cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccc(F)cc1 100121206 LEQRVZALDHQNED-XIOXGIFKSA-N 623.732 3.447 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409153385 HWIIQDPKCKOUSH-VVEOGCPPSA-N 597.422 3.279 50 40 KGGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409172613 DOBQFCWYRGEXKA-VVEOGCPPSA-N 536.972 3.470 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(Cl)c1 1529546792 HQIWBIGPCZSSHO-HTRGEFSHSA-N 609.488 3.430 50 40 KGGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)cc1 105622395 OCDQTHLPMHMYFC-YDZHTSKRSA-N 526.535 3.146 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCc1ccccc1 408604965 JIAWLIVZUVEUOM-UXHLAJHPSA-N 505.571 3.491 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1OC 408862322 IQPJDUMXCZLNRK-RWPZCVJISA-N 575.043 3.291 50 40 KGGB CCOC(=O)COc1c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 408953168 WXAJIOYIDWGZIS-RUZDIDTESA-N 663.547 3.285 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1OC 409151865 HVGSCDRLGZVSRC-VWJSQJICSA-N 678.455 3.283 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1OC 20211397 VJQPCGKBEVUCHD-MTDXEUNCSA-N 524.599 3.263 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cccc2ccccc12 20214958 MCUHZUOLCZIQSR-MTDXEUNCSA-N 522.627 3.147 50 40 KGGB O=C1C(NNC(=O)c2cc(O)cc(O)c2)=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)C2=C1CC=CC2 101081050 IBGMGAREWYIRJQ-OOAXWGSJSA-N 544.383 3.038 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Br)cc1 408613282 YPYFYKIKYBNWJP-KXQYEYADSA-N 504.381 3.172 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408777475 AELMTGWLMJQACH-WPWMEQJKSA-N 539.570 3.298 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)c(OCC)c1 408953822 YGJVXTXUYVPZQY-VWLOTQADSA-N 540.642 3.369 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3F)c(OC)c2)cc1OC 409175631 TYLMPLLUWCVLQA-VWJSQJICSA-N 631.455 3.441 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(C)c3)S(C)(=O)=O)cc2)cc1 28213080 JBXIAFBXDXKWGQ-JVWAILMASA-N 508.600 3.237 50 40 KGGB O=C(NN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)c(Cl)c1 408654455 QNFJLJNOTJYBLJ-AJCKKNKHSA-N 510.997 3.416 50 40 KGGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)cc1 408685520 LJYJBUYMFDXVOQ-YQLZSBIMSA-N 544.391 3.411 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Br)cc3)S(C)(=O)=O)cc2)cc1 408827406 HASKFIKUGBQKRC-JFLMPSFJSA-N 589.468 3.392 50 40 KGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(O)c(OCC)c1 408909987 VMFUPPJVSUOXIO-WQGFDPGOSA-N 525.343 3.203 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(OCC#N)ccc3ccccc23)c(OC)c1 408954107 NAFRTXRPEMFYBV-LWBMBWMASA-N 571.590 3.471 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408979055 KZIDGLHXDMCEEP-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c2ccccc2)cc1 408979945 OTZCVJLZSKZDHD-LEEXQRRLSA-N 510.528 3.192 50 40 KGGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1)OCc1ccccc1 408991372 NNNNLTGXRZPFJX-DQTSHQJUSA-N 612.632 3.433 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(I)c1OCC(N)=O 409002510 OBONVNRDENMZKC-FEYQCKCBSA-N 776.391 3.199 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(Br)cc1 409028124 KGUSEMYCVZOJAS-UDWIEESQSA-N 550.216 3.360 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 100328269 XALLUMBBAHPYBW-MTDXEUNCSA-N 541.626 3.105 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1I 408675889 CDGYHGRVFBRMKP-YDZHTSKRSA-N 507.328 3.207 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)c(Cl)c1 408682317 KUMZVNTYQJQQIR-YMKLRKBFSA-N 627.511 3.362 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccccc1 408829613 KFNIRXMZMCNDFL-JVWAILMASA-N 527.599 3.375 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1OC 408856137 BAPTXBWNSQMTSN-CVKSISIWSA-N 542.570 3.107 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 408872456 DNSZQGHODRCRKM-MFKUBSTISA-N 512.544 3.266 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc2c(cc1Br)OCO2 408953814 YGBDPTNWHKQUGW-QFIPXVFZSA-N 575.441 3.063 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409154595 PDKGGLFETZVTKI-IPPBACCNSA-N 624.476 3.316 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409163376 QPHPHXSJKXBTAL-OCSSWDANSA-N 502.571 3.486 50 40 KGGB COC(=O)c1ccc(NC(=O)COc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2OC)cc1 651600 DNTIUWNJCZUJOE-DEOSSOPVSA-N 503.511 3.314 50 40 KGGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 2692513 SZLYHTOVVZFFNX-LGJNPRDNSA-N 525.315 3.457 50 40 KGGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cccc2c(N/C=C3\C(=O)N(C)C(=O)C(C#N)=C3C)cccc12 16693962 RXMZRROQFFYBPR-JZTLMNBPSA-N 506.522 3.109 50 40 KGGB CC1=C(C#N)C(=O)N(C[C@H](C)O)C(=O)/C1=C\c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 97959566 LTGGHAXEKBUFTE-KVMVOAJRSA-N 524.580 3.177 50 40 KGGB CC(C)(C)[C@@H](I)Cn1nns/c1=N\c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100369774 MXNBTEDKNSOMRP-RYPPMWICSA-N 523.269 3.146 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCC(=O)O 103884158 POMKYFFJMUNLPS-PDGQHHTCSA-N 561.376 3.409 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408678647 FXHDXYMMRXDAKG-WITHRNOMSA-N 621.120 3.271 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cc(Cl)ccc1Cl 408688218 WNUXEKYFBAVGDG-JUYHGQFASA-N 583.060 3.253 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)Cc2ccccc2)cc1 408813590 NNEJZJDMIBLSCZ-UXHLAJHPSA-N 623.713 3.058 50 40 KGGB Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCC(C)C 409156052 KEMIHHOQAJVHQR-RPPGKUMJSA-N 503.397 3.306 50 40 KGGB Cc1cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)ccc1Br 409161533 VFBIODJWRHIVGO-YSURURNPSA-N 552.223 3.266 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)ccc2O)Cc2ccccc2)cc1 409369310 KKTIHWLLRSFTOU-VULFUBBASA-N 559.442 3.454 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409378691 ROZYIGXUJPTYGR-RTWAWAEBSA-N 575.357 3.299 50 40 KGGB COc1ccc2ccccc2c1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 2264934 HNSDPXBDFNIGIV-LGJNPRDNSA-N 500.544 3.451 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1Br 20213596 IPZITISIZJARIV-AFUMVMLFSA-N 516.421 3.256 50 40 KGGB O=C(NN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1Cl 408645790 IIJFGRNEASTQIO-RFCWUQKJSA-N 510.997 3.416 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408874961 FRSLEHBUEUEDOD-JVWAILMASA-N 509.584 3.201 50 40 KGGB CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408951929 JIWZGANLZKRSIZ-IUYGUTHMSA-N 677.505 3.128 50 40 KGGB COc1cc(-c2n[nH]c3c2[C@H](c2cccc(OC(=O)N4CCOCC4)c2)C(C#N)=C(N)O3)cc(OC)c1OC 8410145 PTOYQEHJKNFJHE-OAQYLSRUSA-N 533.541 3.152 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c1 59472854 TXKZFYNMAUVYRV-JVWAILMASA-N 509.584 3.201 50 40 KGGB CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 103353026 GIDXFVDEGMPFDI-WHRSFKOUSA-N 514.214 3.190 50 40 KGGB C=CCn1c(C)c(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)c2ccccc21 408999427 CUJLUEIQGGYXBY-SYYMHTCCSA-N 597.672 3.306 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 409110681 FWWUNMJZYDWIAN-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(C)cc2)cc1Br 409331286 NSNZWBSCTKVVNF-ZZIIXHQDSA-N 571.453 3.458 50 40 KGGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OC)c(OC)c2OC)Cc2ccccc2)c1 409369583 PTUPSPNBUHUSME-NTFVMDSBSA-N 557.625 3.071 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1c(C)n(C)c2ccccc12 1529547856 PYUBLEKHDOKFCP-HHSRISMTSA-N 519.627 3.372 50 40 KGGB CC(C)[C@H](NC(=O)[C@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)OCc1ccccc1)C(=O)O 150351981 OZZAPQKIAFTDKA-CQJMVLFOSA-N 706.840 3.409 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1OC 408837659 KTVHEIJISJGTAS-CVKSISIWSA-N 515.519 3.325 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)o2)cc1 408873248 PNEWQDQJMMDNDU-ZSNJKBEMSA-N 705.746 3.070 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(F)cc1 409157304 IHXHBJJKSKTRKT-VTNSRFBWSA-N 566.586 3.068 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409160782 XDSYAEFHCUYKLV-CCVNUDIWSA-N 610.449 3.007 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409169875 RNMZMYGIGAKFGI-NHHTYEGYSA-N 628.851 3.106 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409379952 CZEVOYLYGUXVME-IOWSJCHKSA-N 745.694 3.279 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/c3ccc(N4CCOCC4)s3)cc2)cc1 3325094 MLLGXLVZLKNOST-YZSQISJMSA-N 512.657 3.478 50 40 KGGB O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)c1ccc(Cl)cc1Cl 408645788 IIJFGRNEASTQIO-IEOIMIPYSA-N 510.997 3.416 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC)c([N+](=O)[O-])c1 408944240 IULZEVABCIDUOP-NRFANRHFSA-N 653.455 3.093 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 409139996 PLVWSSWMQQPDLQ-RWPZCVJISA-N 573.555 3.096 50 40 KGGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1 409384189 BWLFNXQBCIXOOO-FGZHOGPDSA-N 605.383 3.307 50 40 KGGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 2277818 TVTMBXUKLIHUCY-OVCQRUIESA-N 524.371 3.434 50 40 KGGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NC1CCC(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)CC1 108828429 FMPMISRQQXSBPT-QJUDHZBZSA-N 512.522 3.202 50 40 KGGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253488021 VOZLIOSVTCAVIP-IVAOSVALSA-N 519.311 3.376 50 40 KGGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)ccc(Br)c1Cl 408687880 PNIFJEXQBVLWHF-BOKUTNHDSA-N 552.636 3.358 50 40 KGGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1cccc(I)c1 408777210 WKGJCBSBAJHKFF-UDWIEESQSA-N 505.765 3.251 50 40 KGGB CCOC(=O)COc1c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 408951489 UHNORKDPZHJQHD-RUZDIDTESA-N 710.547 3.127 50 40 KGGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)NC[C@H]1CCCO1 408997192 LTUYAWKXXNQPMU-GADSPAKWSA-N 643.560 3.464 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)c(=O)c1C#N 409063081 GQPTWHKEYVOHQA-PNQUVVCRSA-N 641.435 3.022 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409151379 AYMOEBXIXNXNNI-GOCYDNRNSA-N 575.460 3.227 50 40 KGGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OC)c(OC)c2)Cc2ccccc2)c1 409371170 FVTIDBXQCCQCEU-YUMHPJSZSA-N 527.599 3.062 50 40 KGGB COC(=O)C1=c2s/c(=C/c3cc(Br)ccc3F)c(=O)n2C(N)=C(C#N)[C@H]1c1cc(Br)ccc1F 8448483 MCWJIBCGCCNHGN-ROTVFRRXSA-N 609.246 3.314 50 40 KGGB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)NNC(=O)CSc1nc2ccccc2[nH]1 8819272 IYAVOQRFJJSDSC-BOPFTXTBSA-N 515.617 3.233 50 40 KGGB O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 12958065 TVJZIWZQEZQVJQ-LBPRGKRZSA-N 517.877 3.237 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 33354488 FRUGKGBXDKPKLQ-VXYCCBPDSA-N 565.564 3.472 50 40 KGGB CCCCOc1ccc(C(=O)N/N=C(/C)[C@@]2(O)Cc3c(O)c4c(c(O)c3[C@H](O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)cc1 150387468 UADFMYZNFNRCDC-LIZPAKMVSA-N 717.772 3.425 50 40 KGGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 408534465 MAQFFQABXWGLFS-YTIGJDNKSA-N 528.363 3.049 50 40 KGGB O=C(COC(=O)CCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NNC(=O)c1ccccc1 408684887 PRZZQVXRERCPES-QYVRTBTHSA-N 565.626 3.443 50 40 KGGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408754886 LRPXLLDRWJGORR-YDZHTSKRSA-N 511.541 3.481 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC)cc1)S(=O)(=O)c1ccccc1 408832422 TUGSBLVCTPOFRX-WPWMEQJKSA-N 509.584 3.146 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1 408863768 PYGPGXGFWWSREY-TYBAKLTESA-N 564.664 3.015 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 408864149 WWOWEJBYLXXJLN-TWKHWXDSSA-N 564.664 3.432 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc([C@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OC)o2)cc1 408923697 KFIUANBNAUSERA-WYVORDNDSA-N 590.589 3.462 50 40 KGGB C#CCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 408953682 XSZIMIVECLEQDW-DEOSSOPVSA-N 585.480 3.346 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(I)c1OC 408987201 FAJSGMYUPXREMW-IZWKTHEGSA-N 577.379 3.019 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c(I)c1 1529544827 OWQGOMUVEFNURK-DJRZNSPTSA-N 720.327 3.486 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC#N)c(OCC)c1 1529548363 DSZWTYOGDRGXLC-MDRZYHCXSA-N 677.521 3.477 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1 20061172 HTGKWJVMBXNOPX-AYQSFACRSA-N 508.600 3.317 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)c2ccc(C(C)C)cc2)cc1 28212967 XVTXYHINVIHHIG-MUFRIFMGSA-N 522.627 3.328 50 40 KGGB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)c1 103049012 IJMOQEOYYNKXJF-UHFFFAOYSA-N 556.088 3.138 50 40 KGGB C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 103121296 VIHPZDVLBPKPRU-HRNUQJICSA-N 504.606 3.445 50 40 KGGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cccc2OC)cc1 408610596 OLSPEGJLWLTYCU-RWPZCVJISA-N 508.506 3.339 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409257790 QFJXLIWSYDEPOY-WKULSOCRSA-N 524.961 3.141 50 40 KGGB N#CC1=C[C@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 1313692 VOZLIOSVTCAVIP-XSDIEEQYSA-N 519.311 3.376 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Br)c1OCCOc1cccc(C)c1 2262631 OBHRZWYKZKFNNS-WYMPLXKRSA-N 520.409 3.350 50 40 KGGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 16292990 OTCJFQARQNBITM-PPDIBHTLSA-N 516.341 3.239 50 40 KGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)c1 28213171 BCJRLMLCEIVQQE-JVWAILMASA-N 514.648 3.047 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC 104403183 MBILZXGMSRXTGP-FSJBWODESA-N 526.327 3.404 50 40 KGGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)c1 409159723 WQFNDIQTVOPGMD-RWPZCVJISA-N 504.543 3.427 50 40 KGGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)C(=O)O)cc2)cc(OC)c1OC 409380079 HBYRUXRWXZZQNY-VMPREFPWSA-N 685.642 3.262 50 40 KGGB C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(OC)c1O 15930438 WWLBMOMEHGNYIC-MMTYYTLLSA-N 512.548 3.296 50 40 KGGB O=C(N/N=C\c1ccc(Cl)cc1)C1=NO[C@@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@@H]12 29763315 USHWITWEJNKPFU-DYWATDOTSA-N 513.938 3.113 50 40 KGGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=C1C(=O)Nc2ccc(Br)cc21 408778714 XIVPZFVFFQFFQR-UHFFFAOYSA-N 531.363 3.256 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(I)c1OCC(=O)OC 408814756 HOJXBRBFHCJDJE-MFOYZWKCSA-N 550.349 3.474 50 40 KGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408832388 YJFOPSNYCJZPAO-ZTKZIYFRSA-N 534.638 3.424 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(I)cc1 409025560 SGBXUBULDLGPAS-UDWIEESQSA-N 597.216 3.202 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2cccc(Cl)c2)cc1 409132040 OFZTUVNFJJPMSE-OGLMXYFKSA-N 588.042 3.439 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3c(C)cc(C)cc3C)c2)cc1OC 409157971 WKBCSFJAKGADHP-VTNSRFBWSA-N 546.624 3.456 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3C)c2)cc1 409257312 SASUHUDCVZEOKX-WKULSOCRSA-N 508.962 3.441 50 40 KGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)S(C)(=O)=O)cc1 59884365 VLGXIOLJARNHKP-MJDZGMBVSA-N 568.652 3.416 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1OCc1ccc(C(=O)OC)o1 97966649 SUMKBOLKVYCEHL-IPPBACCNSA-N 572.538 3.021 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 100034958 PQCQEBPKYCWNDM-UJBXUPAJSA-N 533.497 3.265 50 40 KGGB CC(C)N1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2/C(=O)N(C(C)C)c3ccc(Cl)cc32)c2cc(Cl)ccc21 100085894 RBZUQGLQKBGWGE-KURJDURESA-N 543.411 3.234 50 40 KGGB C[C@@H]1[C@@H](OC(=O)CCC(=O)NCCCC(=O)N[C@H](Cc2ccccc2)C(=O)O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 102817062 GJLHYGAHXVIOTM-OHRHQKHPSA-N 616.708 3.226 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(F)cc2)cc1OC 408605365 JXBVRISXLUSDIA-OKCVXOCRSA-N 509.534 3.240 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408863422 MQGTZXFYVJJKPF-JFLMPSFJSA-N 513.547 3.032 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1O 408939469 AXKTXAVGFGIPMG-NRFANRHFSA-N 577.457 3.048 50 40 KGGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)cc1 409263340 IRXKNAGAGSMDSW-WSDLNYQXSA-N 511.316 3.273 50 40 KGGB CCc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(O)c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1 2072687 JGHTVTKSFRQXPZ-BKHCZYBLSA-N 504.459 3.299 50 40 KGGB CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)c1 26842364 LVDCILLHUJJNIR-XLNRJJMWSA-N 519.627 3.336 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc1 58881819 CJALZWKLWWTIKY-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1 97964102 DYJJHZYIBLNAAQ-NRXPLXKSSA-N 536.654 3.476 50 40 KGGB CC(C)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1 409012138 HSKWMIXACPAZJQ-QZUPYORJSA-N 561.349 3.463 50 40 KGGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409317661 RDDNRKFTDBZFJO-PMACEKPBSA-N 503.964 3.119 50 40 KGGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 100291394 NNYNXPJEQAACTH-KEBDBYFISA-N 519.215 3.137 50 40 KGGB O=C1C(NNC(=O)c2cccc([N+](=O)[O-])c2)=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C2=C1CC=CC2 101181457 MPCVECXDJXTORZ-OOAXWGSJSA-N 512.931 3.426 50 40 KGGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(I)c(O)c(I)c1 106283295 UAWPEQFTLZOXRP-CNHKJKLMSA-N 567.077 3.282 50 40 KGGB C/C(=N\NC(=O)CN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(=O)(=O)c1ccccc1)c1cccs1 408860555 YDKFMWFHURHLMF-NLRVBDNBSA-N 523.640 3.282 50 40 KGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)S(C)(=O)=O 408872022 JEDHFBNJZUAFKP-MUFRIFMGSA-N 543.045 3.260 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC 409191189 DCHLZNKFXLNUSA-ZVBGSRNCSA-N 502.692 3.269 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409318510 YLRFJDZXVKQAKE-LEWJYISDSA-N 507.568 3.200 50 40 KGGB CCCOc1ccc(/C=N\NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)cc1OC 33344431 BOMQFVIRLWGQQZ-OXOGFPMKSA-N 513.554 3.342 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(I)c(OC)c(OC)c2)c1C#N 97955896 QXOKPXVFPOVNET-KTZMUZOWSA-N 603.211 3.322 50 40 KGGB O=C(COc1ccc(Br)cc1NNC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)NCc1ccco1 408608800 PSONJUMGOYKCOX-HNNXBMFYSA-N 545.365 3.373 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1OCC(=O)O 408971990 NDAIVQPYYXBVIW-IPWRAFNYSA-N 611.433 3.132 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)OC)c(I)c1 1529548251 ZPBSXOBRWGOAFK-NOLPZJBKSA-N 792.390 3.333 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)c1 20211206 JEJPRBBSJRFSCX-MTDXEUNCSA-N 524.599 3.263 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 100145185 BMTSMQYVYANFSQ-RWPZCVJISA-N 572.043 3.087 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)c(C)cc1Br 408683239 HRXFPUIQDRFTOS-IKARSPCKSA-N 609.109 3.470 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408862249 GMLPRWJZXRHILP-BZCOGROQSA-N 608.717 3.413 50 40 KGGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc2OC)cc1 409157635 RJLPXHMAECSDMA-PBEVGHANSA-N 580.423 3.245 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409379352 WIWVCQWHRMBIAT-JHOUSYSJSA-N 785.715 3.412 50 40 KGGB Cc1c(NS(=O)(=O)c2ccc(N)c(NC(=O)/C(C#N)=C\c3ccccc3)c2)c(=O)n(-c2ccccc2)n1C 5941563 RLGWYNJDYKRNID-HKWRFOASSA-N 528.594 3.413 50 40 KGGB COc1c(I)cc(I)cc1/C=N\NC(=O)c1ccc(C)nc1 100291223 OWCADPZVBJKZHU-UWVJOHFNSA-N 521.096 3.372 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(OCC)c2)c(OC)c1 408953786 MQYRXTDMJOSRTM-JCJXWKAISA-N 633.054 3.019 50 40 KGGB CC[C@H](C)[C@@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3)C(=O)O 102817297 MKLSGYFZQOELAG-DBVSJTRLSA-N 582.691 3.030 50 40 KGGB C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 103512860 VIHPZDVLBPKPRU-IJEKRIQKSA-N 504.606 3.445 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)OCCO1 112256054 WVJMRPHAIVCTJA-GCSAOIHPSA-N 566.570 3.401 50 40 KGGB COc1ccc(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(OC)c1 408676579 ATZSWEQYORWHEW-BZDUYGCESA-N 515.360 3.466 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408680713 DTHRWPQYAZYCBY-RJXUYKTESA-N 628.314 3.292 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1OC 408884195 XBBFAPBLUGFJNQ-KIBLKLHPSA-N 537.900 3.429 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3OC)C2=O)cc1OC 8819496 RPDMMBQFSBTICM-ZHZULCJRSA-N 515.613 3.155 50 40 KGGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(C)(=O)=O)cc1 20209055 ATFXTWCMIIRXFE-WPWMEQJKSA-N 514.648 3.118 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3ccccc3I)c2=O)=C(C#N)[C@H]1c1ccccc1I 33354872 BEGARCXCCJLURJ-MAYQHFBPSA-N 634.240 3.070 50 40 KGGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(/C=N/NC(=O)CC4(C)OCCO4)(c4ccccc43)[C@@H]2C1=O 112256119 NBBPHABLRQMSPB-FXBRXIHHSA-N 596.596 3.409 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)ccc1OCC(=O)OC 408745936 BBLPFIYVHKPBRM-SSDVNMTOSA-N 512.300 3.014 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OC 408766029 NZRHTALFDBWFPT-BBMHEYIBSA-N 573.453 3.460 50 40 KGGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3cccnc3)o2)cc1 408832382 RZALRJDWBSVCKA-MNBJERMJSA-N 545.621 3.141 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2cccc(Cl)c2)cc1 409139809 OTSNGAXSPORHIA-ZZEVNCIZSA-N 615.108 3.368 50 40 KGGB CCOC(=O)c1c(N)[nH]c(SSc2[nH]c(N)c(C(=O)OCC)c2C(=O)OCC)c1C(=O)OCC 5180954 DVIVZYXVJSOTBW-UHFFFAOYSA-N 514.582 3.013 50 40 KGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3CCN(Cc4ccccc4)CC3)nc12 20150237 BRLJBROGNJQMBT-HAVVHWLPSA-N 508.582 3.142 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2cc(Cl)ccc2OC)cc1OC 100304398 ZWCWDOZFOGSTMO-MZJWZYIUSA-N 562.000 3.410 50 40 KGGB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 102072124 DEMWVQANCKHZPI-BCJJWKDGSA-N 524.131 3.422 50 40 KGGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 102992937 HEGKFNIJHXWTDM-UHFFFAOYSA-N 532.365 3.106 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1cccc2ccccc12 408685602 LTZWIRKJNGNOLW-VQHPVUNQSA-N 552.219 3.244 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 408753982 OYPBSUSHHMOUPF-RGXRWQALSA-N 574.637 3.124 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409121154 WNMHRPINICNNMV-MFKUBSTISA-N 577.400 3.423 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1OC 409132446 XZAMXGIVDZUFRY-LQKURTRISA-N 543.573 3.350 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409155201 PWTPDBFDAFFPMA-CCVNUDIWSA-N 563.449 3.165 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1cccc2ccccc12 409184794 HUGQHMCTWFJRQA-UZWMFBFFSA-N 558.660 3.494 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409260661 UGRFEKWJCKNOKL-QAYGKXGKSA-N 533.423 3.457 50 40 KGGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccco3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409317665 RDDNRKFTDBZFJO-VQTJNVASSA-N 503.964 3.119 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)cc1OC 14186040 FACFRQFMCMXYPA-VULFUBBASA-N 502.568 3.167 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(SC)cc2)c(OC)c1 16682491 UJWRSNQKXWJWTN-LBWPQLDNSA-N 512.588 3.137 50 40 KGGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 19951113 KWIOAZDJAIGHBH-UHFFFAOYSA-N 513.373 3.117 50 40 KGGB COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)ccc1O 59435884 XEIAVLBNMBIGRD-WGOQTCKBSA-N 501.992 3.438 50 40 KGGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1)c1ccccc1 104703055 FQDUEDVPSFPVDI-OVVQPSECSA-N 537.598 3.162 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccccc1C(F)(F)F 408686103 MKWORBUBDUJYAA-QZHINBJYSA-N 570.156 3.109 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408688580 QZGWYHMBKKSNQN-JYUSNPHGSA-N 621.120 3.407 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1OC 409155477 RHPFIOSFIIDSCT-VTNSRFBWSA-N 562.623 3.156 50 40 KGGB C[C@H](Oc1ccc(Br)cc1)C(=O)NNC(=S)NC(=O)c1cc2cc(Br)ccc2oc1=O 3669149 GODYYDOXMKIZSL-JTQLQIEISA-N 569.231 3.421 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408668393 SQEDPYRLMVEWCG-UHFFFAOYSA-N 517.966 3.266 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408877176 SQXHEEAUXRQUJW-JFLMPSFJSA-N 572.596 3.283 50 40 KGGB CCOc1cc(/C=N\NC(=O)COc2ccc(Br)cc2Br)ccc1OCC(=O)N1CCOCC1 409010412 DTMYKFRNJHWCEF-ZMFRSBBQSA-N 599.276 3.377 50 40 KGGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)CSc1nc2ccccc2o1 8820340 HJSDKZFBNBLOMH-LFIBNONCSA-N 502.599 3.342 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)c1 58925240 ATCRLGAGSUGPPP-JFLMPSFJSA-N 513.547 3.032 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408661251 FGXVEVYJYRROBI-UHFFFAOYSA-N 548.390 3.129 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc(Br)c1O 408862240 GLIXYIJERQLLOW-ZMOGYAJESA-N 563.386 3.417 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OC)c(OC)c2)c(OC)c1 408949838 GGPLUPFNJDRHEU-QWMPUUBNSA-N 560.991 3.086 50 40 KGGB COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)COc1ccccc1I 409103967 HXZIMRPXUSDWOD-QRVIBDJDSA-N 509.344 3.438 50 40 KGGB Cc1c(-c2ccc(/C=N/NC(=O)[C@H](C)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cccc1[N+](=O)[O-] 409165208 UUUMPLLHIOSGPV-HKNSOBRKSA-N 510.419 3.248 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3F)NC(=O)[C@@H]2C(=O)OC)cc1 409304068 PPVSFYHOJAXDQQ-VQTJNVASSA-N 576.400 3.484 50 40 KGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547677 OBOFNZKHVAAYNJ-VELKRQBGSA-N 571.055 3.246 50 40 KGGB CCOC(=O)COc1c(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 1529549270 WXAJIOYIDWGZIS-NKFQWXKNSA-N 663.547 3.285 50 40 KGGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 9264409 XUGKJQFVAFVQST-RDRPBHBLSA-N 502.596 3.128 50 40 KGGB O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1ccc(O)cc1 12032303 ZBIKXJBPNVCRPV-WJDWOHSUSA-N 506.403 3.207 50 40 KGGB CCOC(=O)COc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408948648 PRNUATLJBMXIMR-RUZDIDTESA-N 663.547 3.285 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccccc1Cl 409151782 DCIPHHNJTWDNLA-XODNFHPESA-N 630.867 3.352 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409172358 CVQJTBIQWNXDSX-ZXGJNYTGSA-N 580.423 3.299 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)ccc1O 409371598 IMYBOEDUZABESA-YUMHPJSZSA-N 511.600 3.449 50 40 KGGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1ccc(OC)cc1 713142 ZPDFRIFDODLTCA-LFVJCYFKSA-N 505.618 3.079 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Cl)c1OCCOCCOc1ccc(C)cc1 9166615 FQQWUFDYNHBDDU-VULFUBBASA-N 520.011 3.258 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc(I)cc1 19954297 LMLNEVWDIFUEAE-UDWIEESQSA-N 505.765 3.251 50 40 KGGB COc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC)c(Br)c2)C=3C#N)cc1Br 97944493 VFTUBUPUWIGHML-UHYAINTBSA-N 600.292 3.403 50 40 KGGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103558620 VOZLIOSVTCAVIP-NCYKPQTJSA-N 519.311 3.376 50 40 KGGB COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1 408654079 JKEOFMABKPEHFA-GOSISDBHSA-N 537.956 3.498 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1C 408686520 NHIDYUSYLYSGIM-NRHSGRHJSA-N 532.218 3.013 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OC(C)=O 408760647 CHMHONPDCQTFOK-ORBAKXMTSA-N 601.463 3.377 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccc(C)cc1 408923058 DYUVAXQCGQMBGF-MTDXEUNCSA-N 567.624 3.094 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Br)cc1 409159592 RGAKLMVBJBDQNZ-RWPZCVJISA-N 563.449 3.247 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2Cl)[C@H](OC(=O)c2ccccc2Cl)C(=O)O)cc1 409388793 XATLWBWFKBUNES-SFTDATJTSA-N 575.357 3.299 50 40 KGGB COc1ccc(C(=O)NNC(=O)COc2cc(C)c(Br)cc2Br)cc1OC 840337 QSHBFNDTBCZBLE-UHFFFAOYSA-N 502.159 3.377 50 40 KGGB CC(C)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@@]24OO3)C(=O)N[C@H](C(=O)O)C(C)C 102012951 JJGPCGCYAFOOBW-KVZPYUPZSA-N 596.718 3.274 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC(=O)[C@@H]2C(=O)OC)cc1 409312107 JLXDABLYGNTYQI-FCHUYYIVSA-N 507.568 3.200 50 40 KGGB C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)cc2C1=O 408685896 MEYHHGSCHOMJPX-HNNXBMFYSA-N 505.914 3.315 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)S(C)(=O)=O)cc1Cl 408892090 FZEQEHJSDFGSQJ-WYMPLXKRSA-N 510.403 3.412 50 40 KGGB CCOC(=O)COc1ccc(Br)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408939643 BCFMMEJHQHDRBY-RUZDIDTESA-N 633.521 3.276 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025016 KEDXWEAZGOVANH-OGLMXYFKSA-N 557.625 3.465 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1C 408690812 WVIOGWYRDMJEGN-GBOPCIDUSA-N 609.109 3.470 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)c2ccc(C)cc2)cc1 408833334 UFPBCDRVQBVBLF-OGLMXYFKSA-N 539.610 3.291 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409156486 OLECCYGJWGCVEM-KKMKTNMSSA-N 543.374 3.143 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(CC)cc1 409269115 FIIUFONENYCQIR-NVBQYMCLSA-N 531.009 3.064 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409336263 RHCRVQCLUHJSLT-UXHICEINSA-N 513.959 3.236 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OCC#N 1529548891 PCIJPKCPJNVGPZ-ZPIQXASCSA-N 616.494 3.245 50 40 KGGB Cc1ccc(NCc2nnc(SCC(=O)NNC(=O)Cc3ccccc3)n2C[C@@H]2CCCO2)c(C)c1 6195480 FOJRPEYRRPCQCT-NRFANRHFSA-N 508.648 3.168 50 40 KGGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 8826697 MUUIWAOCRCVWMM-NUGSKGIGSA-N 502.278 3.269 50 40 KGGB COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1OC 59922439 ZDMGWMLQUBYHCG-OEAKJJBVSA-N 510.410 3.017 50 40 KGGB CC[C@@H](C)[C@@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3)C(=O)O 102817299 MKLSGYFZQOELAG-OHZMXUMFSA-N 582.691 3.030 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 408688554 QUPZHJVQKGZLQD-IWDIQUIJSA-N 571.049 3.397 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1ccc(Br)cc1Cl 408690422 VHHYDUYWHLCZLU-YMKLRKBFSA-N 538.609 3.050 50 40 KGGB O=C(O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1I 409234252 JPJSPMOHPXKCBD-WNFQYIGGSA-N 535.107 3.349 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409262151 FNVOJIUGMBBOHZ-OKCVXOCRSA-N 502.571 3.404 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(Cl)cc2)cc1 409382450 MXSPNPAMSBHJSC-VXKWHMMOSA-N 538.940 3.254 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770110 NHEKJUHQUABANC-TZIWHRDSSA-N 504.568 3.152 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)c1 19951372 YFXJETJTUKKPGE-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CCOC(=O)C1=NO[C@@H](Cc2c(/C=N\NC(=O)c3cc4cc(F)ccc4[nH]3)c3c(c(OC)c2OC)OCO3)C1 100238670 ZKAAFBGEUWKCEQ-NBORHNSZSA-N 540.504 3.067 50 40 KGGB O=C(CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 100557582 QWBHGFZENYETJL-BJNHXUTASA-N 547.627 3.234 50 40 KGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)NCc2ccco2)c1C 408608303 HCBVWDAAOZMHPR-KKMKTNMSSA-N 527.375 3.443 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 408610530 NSSYOFBHJAFPGL-QAYGKXGKSA-N 533.423 3.457 50 40 KGGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1 408612659 WNBHIMBSMZAUIN-KKMKTNMSSA-N 527.375 3.443 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(Cl)c1Cl 408688237 QBONIVLCLZTSDU-ZNSHCXBVSA-N 571.049 3.397 50 40 KGGB Cc1c(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 408837548 ILFHQVFBLMRRGH-OCSSWDANSA-N 591.715 3.324 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)c(OC)c1 408924910 QPRNJRPGXPFXSY-VUCPWBMJSA-N 576.562 3.072 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2ccccc2OC(C)C)c(OC)c1 408958201 XTVBYUOVKRCVBC-STCIDUQHSA-N 524.574 3.203 50 40 KGGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1 408974440 ZDIIHLZQMYMVHF-XDWZDTHNSA-N 534.407 3.281 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409260081 KKWHIDGMSATMEO-WKULSOCRSA-N 533.025 3.446 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 1529547414 LAHHVAKCWPBYGR-ZLYQEWHFSA-N 579.591 3.445 50 40 KGGB COc1ccc(/C=N\OCC(=O)N/N=C2/C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1 100355680 HDCSXBORZOUNCR-INDYBGTGSA-N 528.407 3.119 50 40 KGGB COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(I)c1O 112264147 YFSNWBYPHIULAX-DNTJNYDQSA-N 551.122 3.172 50 40 KGGB Cc1cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)c(C)cc1Br 408645550 LYIYIFNDHNHJEG-UHFFFAOYSA-N 510.772 3.442 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 408710774 JWRBXQBOBOTQQR-LSFURLLWSA-N 577.169 3.387 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408826675 ISTXCHUBVYCECY-STBIYBPSSA-N 552.653 3.253 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC 408831358 QATNIBHNLKZXJA-WGOQTCKBSA-N 511.556 3.494 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1ccc(Br)cc1 408863570 STPHJEZLFBJPFB-STBIYBPSSA-N 587.496 3.103 50 40 KGGB O=C(COc1ccccc1I)N/N=C\c1cc([N+](=O)[O-])cc(Br)c1O 409106067 KOSJSFJRLCVDFW-WSVATBPTSA-N 520.077 3.197 50 40 KGGB N#C/C(=N/Nc1ccccc1)C(=O)N/N=C(/c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 4712455 DCBKXOBZVHUKFK-CHGLVIDESA-N 500.584 3.477 50 40 KGGB COCCCNC(=O)/C(C#N)=C/c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c(C)cccn2c1=O 9375667 YFSCJVDCDZXPQJ-CAPFRKAQSA-N 521.021 3.043 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)O)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 100287896 DVXWPNWTUOCEOO-UVHMKAGCSA-N 590.998 3.374 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 408608366 HGPVRDYGIOMSJS-RPPGKUMJSA-N 533.423 3.457 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408688542 QSKOLKQJKRYMCS-USZNOCQGSA-N 571.049 3.397 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 409114437 HHVNBTPYWPQVBW-WGOQTCKBSA-N 513.572 3.154 50 40 KGGB COCCN1C(N)=C(C#N)[C@H](c2cc(OC)c(OCC(=O)OC)cc2Br)C2=C1CC(C)(C)CC2=O 409123653 HYUKPXRHJNFWLM-QFIPXVFZSA-N 548.434 3.392 50 40 KGGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 408816037 SHVIBHOVSDPZNB-PXNMLYILSA-N 536.322 3.084 50 40 KGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 408862930 NSFQCDDZPCGLDA-WPWMEQJKSA-N 508.600 3.179 50 40 KGGB CCCC[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682764 GUQUVEAMCUSNNZ-PHSLVXOISA-N 565.626 3.442 50 40 KGGB COc1cc(C(=O)N/N=C/c2ccc(OCC(=O)O)c(I)c2)ccc1I 408747473 OKDMLXZYKQCGMY-DNTJNYDQSA-N 580.116 3.132 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409172044 BDZGCURSYLXJSF-KVSWJAHQSA-N 604.401 3.294 50 40 KGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1cc2c(cc1Br)OCO2 409184804 HWAJFLPXPMHIAK-WYMPLXKRSA-N 561.370 3.432 50 40 KGGB Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC2CC2)c(C)c1 409250386 KSWMCKOELLOYTI-OPEKNORGSA-N 501.381 3.121 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1 409263728 MHWLFQZIGVNBPK-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 409270189 CYIZGDOLCCUQIR-RWPZCVJISA-N 504.543 3.427 50 40 KGGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1c[nH]c2ccc(Br)cc12 3241399 MUTNXLUKZCVVFE-MFKUBSTISA-N 519.421 3.034 50 40 KGGB CCOC(=O)C1=C(CSc2nc(C)cc(N3CCOCC3)n2)OC(N)=C(C#N)[C@H]1c1ccccc1F 16682550 HTVWKGXGKOQTNO-OAQYLSRUSA-N 511.579 3.178 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 59401489 HAAYEFQOEDDELQ-CVKSISIWSA-N 515.975 3.237 50 40 KGGB COc1cc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2O)c([N+](=O)[O-])c(OC)c1OC 98045851 MPNHXXYPCMULNH-IOXNKQMXSA-N 549.128 3.321 50 40 KGGB CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(Br)s3)nnn2-c2nonc2N)cc1 101315085 NKGVKAUDDIEAFU-LSHDLFTRSA-N 517.369 3.276 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(Br)c1OCC(=O)Nc1ccccc1 408610521 NOKXYFASQQTDRI-VSRRSJTHSA-N 519.396 3.230 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(OC)c1 408921937 CLMJMYGNTZJKLZ-BGXXNGLISA-N 593.549 3.202 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1Br 409025554 RZKBLPYNEOGIPV-SRZZPIQSSA-N 579.258 3.036 50 40 KGGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 409369907 HHJZNKQZHJNYAW-VSGBNLITSA-N 655.616 3.253 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OCC#N 1529549240 WRFCHXVPEWGHGZ-NUVFXGIKSA-N 542.017 3.127 50 40 KGGB Cc1cc(C)nc(SCc2nnc(SCC(=O)NNC(=O)c3ccccc3O)n2-c2ccccc2)n1 6194618 APDVOKKLKIEAAH-UHFFFAOYSA-N 521.628 3.225 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2ccc(C)cc2)cc1OC 19955671 FCEHEXAUDLVGSC-CVKSISIWSA-N 511.556 3.056 50 40 KGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 20214225 LMBQPBKZOKYKDK-YZSQISJMSA-N 509.544 3.289 50 40 KGGB O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccc(Br)cc3)C2=O)SC1=S)NNC(=O)c1ccc(Br)cc1 150453118 NLQSQZGNHPWOPT-FMQUCBEESA-N 800.558 3.146 50 40 KGGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NC[C@H]4CCCO4)cc3)cc2)CC1 408828565 HVKUGBRDXFMAMV-UWZNAYGFSA-N 585.705 3.455 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(I)c2)c(OC)c1 408948541 CTMZJRFHPAGKRX-OXQYWEMVSA-N 745.321 3.246 50 40 KGGB Cc1c(C(=O)N/N=C/c2cc(Br)cc(I)c2O)sc2ncnc(N)c12 408973271 KZIRYSDDLCXGIB-IPBDZQFASA-N 532.161 3.419 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 409160228 WJUGCVSUJCIOJD-RWPZCVJISA-N 539.386 3.242 50 40 KGGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408820939 AQYZMMDIILYJSN-VYZASOGQSA-N 559.044 3.069 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 409113515 GOWBIRVKMXJSLM-JFLMPSFJSA-N 546.001 3.246 50 40 KGGB C=CCOc1cccc(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c1 1529545694 ATOGCHLUNUKBML-DEHNYIOBSA-N 508.600 3.136 50 40 KGGB CCOC(=O)C1=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 1874047 TXAXKSVRPNHHRV-LOHYDARVSA-N 587.293 3.426 50 40 KGGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccc(Br)cc32)c1 2254630 DUXWYJXROIAKQO-COOPMVRXSA-N 529.435 3.417 50 40 KGGB COc1cc(/C=C\C(=N/NS(=O)(=O)c2ccc(C)cc2)c2sc(NNC(C)=O)nc2C)ccc1O 17215516 BKNQIIJRZQTGHW-LTXNRDAWSA-N 515.617 3.333 50 40 KGGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl 408689450 RYHKEYVCJDHKEF-QDRDTWBESA-N 552.636 3.358 50 40 KGGB CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408772274 NKINILVTOBQWDL-QDTIIGTASA-N 546.367 3.329 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OC(C)=O)c(OC)c2)c(OC)c1 408947026 AAWGMPVVZMUZNK-JQKUNRSSSA-N 633.452 3.112 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 1529544807 ODZZKTZAWSGNTC-YIQTUUEOSA-N 531.978 3.133 50 40 KGGB O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)NNC(=O)c1ccc(Br)cc1 1349421 VDJQQUFNXPNXID-UHFFFAOYSA-N 518.412 3.295 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c(Br)c(Br)c1O 4132512 MOIKLTBRNMTWCH-ZVBGSRNCSA-N 524.173 3.120 50 40 KGGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)N4CCOCC4)c(OC)c2)C(C#N)=C(N)O3)cc1 9434204 IYEHATDMCBEWLN-OAQYLSRUSA-N 503.515 3.143 50 40 KGGB CCN(CC)c1ccc(/C=N/NC(=O)CN2CCOCC2)c(OCc2ccc(I)cc2)c1 100306989 VRJOSOZYUQTDAM-WGOQTCKBSA-N 550.441 3.499 50 40 KGGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1cc(Br)cc(Br)c1O 150406154 MKPALYBCGILNRF-KSEXSDGBSA-N 639.164 3.136 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)c1 408827561 KPOHJXUHTVAAIQ-VULFUBBASA-N 502.568 3.167 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2cc(Cl)ccc2OC)cc1OC 408832226 QAVDEDRTRFWZMG-SBUVDLMSSA-N 675.160 3.385 50 40 KGGB CCOc1ccccc1/C=N\NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC 409368270 WIXFEACWESVFHJ-PKAZHMFMSA-N 511.600 3.444 50 40 KGGB CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCOc2ccc(NC(=O)CBr)cc2)c1 1701930 ZXVSQNIBKGWOLP-UHFFFAOYSA-N 503.401 3.053 50 40 KGGB COc1c(I)cc(I)cc1/C=N/NC(=O)[C@@H](O)c1ccccc1 6905773 FRFLCFRMCNDPOE-FRSZACSASA-N 536.107 3.088 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)cc1 408691397 ZRPXAQBNNARHGZ-OOLZNYFQSA-N 607.093 3.099 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409118543 RCSKECRBXWTENW-ZVHZXABRSA-N 519.601 3.128 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 6924817 VVJDHFNDWCDHND-NDEPHWFRSA-N 582.613 3.464 50 40 KGGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC(=O)N1CCOCC1 8410157 VMRJXGRJXYSXIJ-JOCHJYFZSA-N 531.525 3.253 50 40 KGGB COc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 100328260 PFADVDDIVDRDBR-LQKURTRISA-N 554.625 3.012 50 40 KGGB Cc1c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)ccc(Br)c1Cl 408681740 INKINICXCXOUNL-KDHCRGAPSA-N 521.589 3.464 50 40 KGGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408754183 MHNBPQUVHJFJNW-ZMOGYAJESA-N 541.567 3.490 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c(OC)c1 408923991 MOQXUGNYZCDUKN-FCRNLXMDSA-N 533.585 3.215 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)O)c(OCC)c1 408948472 PAXAGCPGPHBBSX-DEOSSOPVSA-N 696.520 3.038 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409134504 RUIMNVOFGHHFAM-KBVAKVRCSA-N 660.105 3.148 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)S(C)(=O)=O)c(OC)c1 20210898 DLIKSWKCZBNUNL-MTDXEUNCSA-N 524.599 3.263 50 40 KGGB CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 59443659 ZUWICKPEEOLEBZ-WPWMEQJKSA-N 508.600 3.385 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408831324 VEBIXBZSSWTOCM-ICLYNSGKSA-N 594.690 3.023 50 40 KGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1 408862675 LGGXKWAUCRBJSN-LUOAPIJWSA-N 548.971 3.179 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409026542 RURAQVLHAMQKHL-OGLMXYFKSA-N 555.609 3.373 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC[C@@H]2C)=C(C#N)[C@@H]1c1cccc(Br)c1 409316664 ZIDSHSYOBFBABJ-AGRHKRQWSA-N 506.422 3.321 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCCCC2)=C(C#N)[C@@H]1c1cccc(Br)c1 409335304 UTUBKMYISXMUFK-RBUKOAKNSA-N 506.422 3.323 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 100284298 GPZMECBCCIVMBY-CCVNUDIWSA-N 605.025 3.463 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408687482 OWEIACUPDXEIMO-OKMDKAJHSA-N 621.120 3.406 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)o1)C(=O)Nc1ccccc1 408884181 XAQPJKFACXYNSU-YKQZZPSBSA-N 525.521 3.416 50 40 KGGB C#CCOc1c(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 1529549465 ZRVAYEYONIYKHF-NMBZELBNSA-N 662.506 3.197 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770107 BPIFOBUFVXHOCK-IRLDBZIGSA-N 518.595 3.461 50 40 KGGB Cc1ccc(C)c(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 101233533 ITPAVPAATFBDRV-LJPDAENFSA-N 541.236 3.196 50 40 KGGB O=C(COc1ccccc1I)N/N=C\c1ccccc1I 408550678 IWXUJKUNMKXBPB-NVMNQCDNSA-N 506.081 3.425 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc(Br)c1O 408878235 YQAXXDFKBKVIMD-ZVBGSRNCSA-N 504.790 3.041 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC)c1OC(C)C 408942703 GQQINBKGTITSMS-XMMPIXPASA-N 540.642 3.367 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1 409316792 NCORPGDDZXSVFH-PMACEKPBSA-N 531.949 3.375 50 40 KGGB COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)c(OC)c1 409368139 TZRMAEMJZDGRPY-YUMHPJSZSA-N 511.600 3.362 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)c1 59853337 QQABFOWFPBJPQA-JFLMPSFJSA-N 546.001 3.246 50 40 KGGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)cc1 100355866 XCSULDFZGZDCKN-MHCWCHGTSA-N 540.370 3.479 50 40 KGGB O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1cc2c(cc1Br)OCO2 408731739 PLVUHGOTTYOAJO-ODCIPOBUSA-N 548.335 3.274 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OC 408939626 BBIXBOPXJVJZGZ-QFIPXVFZSA-N 561.458 3.343 50 40 KGGB CC(C)COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409025575 SVAJTWKRUOBQQB-WSDLNYQXSA-N 529.400 3.242 50 40 KGGB COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1OCC(N)=O 1818672 VZLIPUFLQAIVBI-RWPZCVJISA-N 516.583 3.049 50 40 KGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)cc1 8384523 APGKUWDWKWHFTB-MJDZGMBVSA-N 568.652 3.416 50 40 KGGB CSCC[C@H]1N[C@]2(C(=O)N(CCBr)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 15320663 KKPCCEPPJXTTQQ-QHYAIYAISA-N 514.445 3.154 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OC)cc2OC)c1C#N 97955891 ILIBWEUPFZKQLT-KTZMUZOWSA-N 556.211 3.479 50 40 KGGB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 102656869 BDONKWODKKTWLD-KSWRQPAISA-N 514.214 3.022 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)c1C#N 409008563 XXOMZOBTVNFKER-AMVVHIIESA-N 531.569 3.272 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409165272 VRJZGFVXGKZLIG-BTIIEKFUSA-N 539.814 3.493 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)o1 1529547898 RHEJYHDKZXPRCO-XHEHIBSSSA-N 513.620 3.011 50 40 KGGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 58951178 YYKZSAXAAZPPEW-DICXZTSXSA-N 514.991 3.076 50 40 KGGB Cc1c(N(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 164803594 SHNVDAHRDKPARX-WKULSOCRSA-N 626.489 3.321 50 40 KGGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 408536602 SFFJYIGFCQBLQP-ICPJCJOJSA-N 517.464 3.305 50 40 KGGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)NCc2ccco2)cc1 408611168 QARBSUCXBLXLSH-RPPGKUMJSA-N 513.348 3.135 50 40 KGGB O=C(CCN1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21)NNC(=O)c1ccccc1 408671491 YVDLZCIRSDVMOX-CLOGCQCWSA-N 534.399 3.431 50 40 KGGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 408875996 NAGHNBGCVXTMHE-VJKRCDFGSA-N 538.626 3.326 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(Br)c1 1529546088 CLRWZJYJBPKWRX-AXDLBROPSA-N 531.432 3.334 50 40 KGGB [O-][n+]1c(CBr)c(CBr)[n+]([O-])c2c1[C@H](Br)CC[C@H]2Br 1232540 ICJFMSNXNLDNAJ-PHDIDXHHSA-N 509.818 3.409 50 40 KGGB O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc2c(c1)OCO2 100458632 FWNHXDXMIWOZAN-NGYBGAFCSA-N 536.063 3.094 50 40 KGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccc(Cl)cc3Cl)nc12 100929368 NGZPKOZBRUONPB-IDJPSDCMSA-N 533.393 3.312 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408680166 DKVLVEYTLZJLGB-RNJOBUHISA-N 550.631 3.052 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 408867306 LJUMWJWRSAHVKF-UXHLAJHPSA-N 585.082 3.232 50 40 KGGB C=CCOc1c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cccc1OC 408953156 WWTRRHCZGYFRKG-DEOSSOPVSA-N 538.626 3.145 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)c(OC)c1 408957364 UFUDRLQJYIPRPL-SHIRAINQSA-N 500.939 3.069 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Cl)ccc2OCC)c(OC)c1 408958428 YTSZGBSFGBZACC-WEPCQLIISA-N 544.992 3.467 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1OC 409158734 LKFFGUKCYGNBTD-WCMJOSRZSA-N 553.015 3.492 50 40 KGGB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3cc(C)oc3C)ccc2OC)cc1Cl 2662827 FOPJFESJLXHFMW-UHFFFAOYSA-N 537.978 3.451 50 40 KGGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 100777601 GJLHYGAHXVIOTM-URLXSRSUSA-N 616.708 3.226 50 40 KGGB COc1ccccc1C(=O)Oc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 408682857 KAZHZHCBBJJVCS-PWNYLBOHSA-N 529.339 3.211 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409150232 AWPUJVLEELHPOD-BTIIEKFUSA-N 586.814 3.336 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(I)c1 1529544278 BFZMFLJIDSGWFR-SHIRAINQSA-N 608.458 3.185 50 40 KGGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)c1 39986713 HWKOEQHZGINZHM-YUMHPJSZSA-N 527.599 3.062 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1OC 100308901 GTNLDQIYUJIDED-OKCVXOCRSA-N 538.988 3.184 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(I)c(OCc2ccc(F)cc2)c(I)c1 164561587 BUOWPVJOIAVHJP-MYKKPKGFSA-N 623.204 3.396 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1ccccc1C(F)(F)F 408686105 MKWORBUBDUJYAA-WFFHOREQSA-N 570.156 3.109 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c1C#N 27519396 ZRXCGOPAEOEDFD-QPJQQBGISA-N 512.158 3.168 50 40 KGGB O=C(N/N=C\c1ccc(Cl)cc1)C1=NO[C@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@H]12 29763312 USHWITWEJNKPFU-XMFCYEJRSA-N 513.938 3.113 50 40 KGGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 408608650 HZJGQIMLNOPXJX-KBKYJPHKSA-N 537.798 3.189 50 40 KGGB COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c(OC)c1 408686022 QZFMDVXPBIQGDV-FFTGTZRRSA-N 515.360 3.466 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1OC 409114557 IHJKDAVHWPRQSH-MTDXEUNCSA-N 525.627 3.405 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 409161046 SUVSBSIAHKJIAF-KIBLKLHPSA-N 582.249 3.275 50 40 KGGB O=C(CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)OCC(=O)c1ccc(Cl)cc1 98050457 QWBHGFZENYETJL-DWSJNBLDSA-N 547.627 3.234 50 40 KGGB COc1cc(C(=O)NCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc(OC)c1OC 100029376 LGOJTUGXUDPNQE-UVHMKAGCSA-N 553.484 3.201 50 40 KGGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)NCCc2ccc(O)c(O)c2)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 105382617 FSMRLDDRGQABHK-YCQQUHDBSA-N 604.697 3.184 50 40 KGGB Nc1ccc(S(=O)(=O)c2ccc(NCN[C@@H](CSSC[C@H](NCNc3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)C(=O)O)C(=O)O)cc2)cc1 150471842 MIHAGYLZSGAJKK-KYJUHHDHSA-N 760.942 3.423 50 40 KGGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1 408828442 MSOUEKHDVAOPML-FTBWOGGGSA-N 564.664 3.091 50 40 KGGB O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cc(Br)c(Br)o1 3085128 DARGJORMGKULOV-KPSZGOFPSA-N 507.964 3.447 50 40 KGGB CN(C)N1C(N)=C(C#N)[C@@]2(C(=O)N(CC(=O)Nc3cccc(Cl)c3)c3ccccc32)C2=C1CCCC2=O 12413944 JYNMFRWIGDOXGQ-HHHXNRCGSA-N 516.989 3.056 50 40 KGGB COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1 16321258 LGHIAWWEUOYUTJ-JVWAILMASA-N 524.599 3.003 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1 19950598 VRXNHSAYNWXPQG-OVVQPSECSA-N 527.599 3.457 50 40 KGGB CCCCN1C(=O)/C(=N\NC(=O)CCC(=O)N/N=C2/C(=O)N(CCCC)c3ccccc32)c2ccccc21 102920749 BYGQVNRKZOBUHR-IEPGDLOPSA-N 516.602 3.101 50 40 KGGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C3c4ccccc4C(/C=N/NC(=O)CC4(C)OCCO4)(c4ccccc43)[C@@H]2C1=O 112256117 NBBPHABLRQMSPB-VNBRQFEQSA-N 596.596 3.409 50 40 KGGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 408610308 NKHKZNCWFQLHEV-RPPGKUMJSA-N 519.396 3.068 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408773809 MHNXJQOLUSUTGU-JVWAILMASA-N 540.598 3.016 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c(C)c1 408864375 ZHQVNMHGBQLHTH-QGYJZDEZSA-N 578.691 3.323 50 40 KGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1 409261986 GOPJPTJKOHBEPT-RWPZCVJISA-N 508.506 3.339 50 40 KGGB Cc1c(NC(=O)/C(C#N)=C/c2c(N3CCCCC3)nc3ccccn3c2=O)c(=O)n(-c2ccccc2)n1C 2207583 LPGZDUXYROKWBT-LVZFUZTISA-N 509.570 3.028 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](C)Sc2nnnn2-c2ccccc2)ccc1OS(=O)(=O)c1ccc(F)cc1 8438495 JNGCUYNFAUNEQV-KSXCTLEASA-N 556.601 3.209 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1O 8451712 QOZCGRRJMIMDMY-RSFOSLOZSA-N 516.801 3.120 50 40 KGGB CC1(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)OCCO1 408723482 VQLUSLNHSJLPHD-TTXVZHGZSA-N 507.546 3.102 50 40 KGGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1)c1ccccc1 408829480 PLNQTVVEYHBBTC-FTBWOGGGSA-N 564.664 3.091 50 40 KGGB COc1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 408860566 YRAIHYLHMATIMR-ORWNMUSCSA-N 500.802 3.415 50 40 KGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 408864216 XKXVQHNWEXLVIA-HGQHNSGJSA-N 531.034 3.470 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OCC 408973774 UZWIWPXRFQQYMV-IIPRTONHSA-N 527.618 3.396 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409303135 LRASUDWYFGQXBS-UXHICEINSA-N 558.410 3.345 50 40 KGGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(C)=O 409379351 WIWVCQWHRMBIAT-CZNDPXEESA-N 785.715 3.412 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)cc1OC 1529544845 PYFWYIOWKXDGRI-QLPUOYLQSA-N 553.685 3.426 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(O)c(OCC)c1 1529547978 UFQHBLSHMLRCQG-GPBZHFFBSA-N 638.484 3.281 50 40 KGGB CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@H](CCCCN)C(=O)Nc1ccc(N(CCCl)CCCl)cc1 5390543 KDPPJJVVEQTIIW-TZRRMPRUSA-N 573.610 3.037 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408688541 QSKOLKQJKRYMCS-KKOKHZNYSA-N 571.049 3.397 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1C 408690815 WVIOGWYRDMJEGN-UXOAXIEHSA-N 609.109 3.470 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OC(C)=O 408760646 CHMHONPDCQTFOK-HMHIXTCJSA-N 601.463 3.377 50 40 KGGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc(OC2CSC2)c1 408861062 LYIVYUVVVNVOQD-AFUMVMLFSA-N 526.596 3.435 50 40 KGGB O=C(CCC(=O)N/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 2246849 HRMTUGCSHNRMPA-UHFFFAOYSA-N 542.166 3.325 50 40 KGGB Cc1ccc(N2C(=O)/C(=C\NNC(=O)CSc3nnnn3-c3ccccc3C)c3ccccc3C2=O)cc1 3416550 AZOHWZVQQRVKBL-JCMHNJIXSA-N 525.594 3.220 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc(C)c1Br 408683984 MSZOGVWURHQUKN-CYPJLOCYSA-N 501.171 3.119 50 40 KGGB COc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc(I)c1OCC(=O)O 408904624 MINNPHKVECBLAA-OPVMPGTRSA-N 536.244 3.475 50 40 KGGB CCCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408943571 HVTIASOZNMWOCZ-RUZDIDTESA-N 540.642 3.369 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)c(OC)c1 408957363 UFUDRLQJYIPRPL-ORMFSKTFSA-N 500.939 3.069 50 40 KGGB COc1cc(Br)c(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2cc(OC)c(OC)cc2Br)C=3C#N)cc1OC 408977715 XTIKWHTWOUESAG-MISWNLACSA-N 660.344 3.421 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1c(C)cccc1C 409151174 AKSXIVQIFJFPKH-KVSWJAHQSA-N 557.401 3.452 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1OC 409254567 ICKQTHVOUFMCQH-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OCC)c2)cc1OC 409309388 GLBJCSHBBDKJCE-ROTLSHHCSA-N 508.369 3.273 50 40 KGGB C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OCC)c2)cc1OCC 409312854 NXHSMZNWDYESRM-ZMFRSBBQSA-N 567.380 3.281 50 40 KGGB CC(C)C[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)C(=O)O 100589078 UKEGJFCNVSBHRO-DIICFBBJSA-N 582.691 3.030 50 40 KGGB O=C(NNC(=O)[C@H]1CCCN1C(=O)c1cccs1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 102994800 LAWCOARIFSANLO-LJQANCHMSA-N 533.031 3.268 50 40 KGGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccc(NC(=O)c2ccco2)cc1 408537021 UJVHHWGJADAWMH-ICPJCJOJSA-N 527.415 3.166 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408855258 AZBJJFIVFZXLKJ-NIVXUIPCSA-N 624.716 3.032 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC(C)C)c2)c(OC)c1 408954754 NMGQRCPEOOFSGX-STCIDUQHSA-N 524.574 3.203 50 40 KGGB C#CCOc1c(I)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC 409017913 JKPCJCAARCOQFQ-MXAYSNPKSA-N 515.307 3.389 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2O)c2ccc(F)cc2)cc1OC 409131485 JEOIEMBWWUWNTM-WGOQTCKBSA-N 501.536 3.284 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC 409221786 VETIBJPYNSTIGY-AUEPDCJTSA-N 572.425 3.281 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cc(Cl)ccc2OC)cc1OC 409348416 SNWBYIAPSNBHPY-XLVZBRSZSA-N 573.027 3.058 50 40 KGGB CC(C)N1C(=O)/C(=N\NC(=O)CCCCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)c2ccccc21 100085940 YGQDYGMJZATIOU-WVMMTVHUSA-N 516.602 3.098 50 40 KGGB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1[C@H]3C4C5[C@]1(CCI)[C@]5(CCI)[C@H]2[C@H]43 104287618 XBITYSUNEFXMDL-HGHHMWGQSA-N 587.199 3.039 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C)c(Br)c2)c(OC)c1 408924551 PDPHSEMFFOVUII-FXDWWMIYSA-N 545.390 3.096 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2CC)cc(I)c1OCC(=O)N1CCCC1 409159120 UYUZOMDBXNFJFE-JFLMPSFJSA-N 592.434 3.342 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2cc(C)cc(C)c2)cc1OC 409184607 HGYSDOKXCAIFLD-CIJDEGAQSA-N 638.743 3.340 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cc(C)cc(C)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409312809 NQQPOTJQVLKNPO-FGZHOGPDSA-N 507.568 3.200 50 40 KGGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccccn3)o2)cc1 100139659 MMSGISROGIOPTL-MNBJERMJSA-N 545.621 3.141 50 40 KGGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)c1ccccc1 162398591 IRADNYFKMWQVDG-UXXGDLCFSA-N 689.816 3.157 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408678644 FXHDXYMMRXDAKG-VNUXUXBQSA-N 621.120 3.271 50 40 KGGB COc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)ccc1OCC(=O)N1CCOCC1 409013128 SVPUHWGYWSXSMY-KBKYJPHKSA-N 530.792 3.422 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(I)cc1 409024526 COCYKCFFLSYNON-LSHDLFTRSA-N 525.290 3.226 50 40 KGGB CCOC(=O)COc1c(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 1529549268 WXAJIOYIDWGZIS-AMLSOKQWSA-N 663.547 3.285 50 40 KGGB O=C(CNC(=O)c1ccccc1O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 2054801 WEXVUGIGQBDHQT-QQCFEHSUSA-N 512.316 3.247 50 40 KGGB O=C(CCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S)NNC(=O)c1ccccc1O 11612126 PLPRZQJJICTXGQ-LFIBNONCSA-N 506.403 3.207 50 40 KGGB CC(C)(COC(=O)c1cccnc1)[C@H](OC(=O)c1cccnc1)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](OC(=O)c1cccnc1)C(C)(C)COC(=O)c1cccnc1 196303844 MEFAKOINNJLWFO-XPSQVAKYSA-N 975.116 3.410 50 40 KGGB O=C(COC(=O)CCCCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)NNC(=O)c1ccccc1 408684889 PRZZQVXRERCPES-RAWLKHAVSA-N 565.626 3.443 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1C 408688710 WZCKQNLCMSLBGH-HTQXZECBSA-N 501.171 3.119 50 40 KGGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408761187 CFQYABGQSWJRKZ-CVKSISIWSA-N 506.496 3.440 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2)cc1OC 408863557 PFIPDOYPGUIPOB-MTDXEUNCSA-N 524.599 3.398 50 40 KGGB Cc1cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1Br 409163655 VPCCJFQERGQZQN-NPLHSSQESA-N 596.276 3.283 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)cc1 409164139 CYEHKFWZIXXOKR-FJEPWZHXSA-N 646.438 3.101 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 59855915 AWBSAMUCKIUOOX-MTDXEUNCSA-N 551.625 3.394 50 40 KGGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3ccc(OCC(N)=O)c(OC)c3)c(-n3cccc3)c12 78546491 RXBWPBVYKZKBMN-KKMKTNMSSA-N 507.572 3.178 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 408608715 IJMRWPJTUMFZCG-UVHMKAGCSA-N 533.423 3.458 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c2ccc(C)cc2)cc1OC 408727248 PLFHWWOKMQGQJT-CVKSISIWSA-N 542.570 3.275 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)cc1OC 408884973 WHRNNEARNMNNJU-XICOUIIWSA-N 661.737 3.244 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OC(C)=O)cc1Br 408953217 XBOSXUDMLSHQFJ-DEOSSOPVSA-N 619.494 3.268 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccccc1C#N 409238641 BDYZOWDGFZUBLG-APSNUPSMSA-N 516.295 3.242 50 40 KGGB CCOc1cccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)c1O 409368473 XLARIUSPNWSEID-YUMHPJSZSA-N 511.600 3.449 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1 408882148 LKCWABSDZIJFQN-RDRPBHBLSA-N 552.653 3.334 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(I)c1 408997623 SBOWXZRTBPONMK-VROXFSQNSA-N 602.223 3.144 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)cc1C 409156327 SABFBOZKMVJNSO-RPPGKUMJSA-N 503.397 3.306 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(Br)c1 1529545141 YTSLXNYZCUEMDZ-ORMFSKTFSA-N 561.458 3.343 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C/c3ccc(N4CCOCC4)cc3)cc2)cc1 3251737 RMWYRUVKIWNQGA-TURZUDJPSA-N 506.628 3.416 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 19955908 UABKDBIRGKDGCP-WGOQTCKBSA-N 510.572 3.008 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408681521 FMFTWESCJQQEBG-LVEBTZEWSA-N 595.082 3.161 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408689841 SSANTCCEHYRZCR-QLBJFCOMSA-N 525.561 3.378 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c(OC)c1 408924076 NOLSIQAWRUULSN-IXYNZTCPSA-N 576.562 3.374 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(I)c1O 408948657 PROKOWAMVFLKMT-HXUWFJFHSA-N 720.327 3.486 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1 408953068 LLHSTCIHXIHZNK-HIWKEIFESA-N 524.574 3.204 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)ccc1C 409270701 HFIYDSGGLCTAMM-KWJLSGNOSA-N 503.397 3.448 50 40 KGGB CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3cccc(Br)c3)nnn2-c2nonc2N)cc1 9424343 BYSIXHFYMUOKDM-WYMPLXKRSA-N 511.340 3.215 50 40 KGGB Cc1ccc(C)c(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 100560986 CVSLOFTYQTXNNZ-XALOUDCRSA-N 541.236 3.197 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c(C)cc1Br 408683244 HRXFPUIQDRFTOS-UXOAXIEHSA-N 609.109 3.470 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)ccc1Br 408691110 YGXWFRDAJFRTIO-OKMDKAJHSA-N 621.120 3.406 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(=O)O 408970472 ISNNTSKBZLLIOR-IPWRAFNYSA-N 564.433 3.290 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409150372 BJTJJMNDXBHQII-WKULSOCRSA-N 624.476 3.397 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409153386 HVYQEWUBQBPYER-JBUPRDAJSA-N 537.400 3.155 50 40 KGGB O=C(N/N=C1\C(=O)N(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21)c1cccs1 100747941 DBPKMLVQDCFACE-BMUCUYCASA-N 552.454 3.230 50 40 KGGB biogenic CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)c(OC)c1 408958176 XMTIUIWRZYNZOV-RQDDCGEVSA-N 560.991 3.173 50 40 KGGB CN(C)c1cccc(OCC(=O)N/N=C\c2cc(Br)cc(I)c2O)c1 409096406 KHWDOICSWDQSBD-UKWGHVSLSA-N 518.149 3.354 50 40 KGGB Cc1cc(Br)cc(Br)c1OCC(=O)NNC(=O)CCC(=O)NCc1ccccc1 1794785 HHYPBDIGPPHRHY-UHFFFAOYSA-N 527.213 3.143 50 40 KGGB O=C(c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)N3CCOCC3)c2)ccc1[N+](=O)[O-])N1CCOCC1 100498829 XWLHCDDVGFUPHF-UHFFFAOYSA-N 534.572 3.247 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408687938 PRBPKVHYWOBPJR-CRWXNKLISA-N 550.631 3.052 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408781075 RFOPCHZTIMYLJR-JVWAILMASA-N 525.583 3.283 50 40 KGGB NC(=O)COc1ccc(/C=N\NC(=O)COc2c(Br)cc(Br)c3cccnc23)cc1 408904935 QSKASTTUTOQAHW-MWYAZZEHSA-N 536.180 3.153 50 40 KGGB CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408951926 JIWZGANLZKRSIZ-ACQXDPJGSA-N 677.505 3.128 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C3CCN(C)CC3)c([N+](=O)[O-])c2)c(OC)c1 408957385 UGZQWTMWYSKCRD-GMCBZYNOSA-N 608.652 3.133 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OC(C)C 1529548449 GQQINBKGTITSMS-PBSMGWKUSA-N 540.642 3.367 50 40 KGGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCOCC1 2418200 IUERFYVBIGIYME-PTGBLXJZSA-N 531.638 3.480 50 40 KGGB O=C(COc1ccc(I)cc1)N/N=C/c1cccc(I)c1 9948948 LRVVCDJEZCJEOA-GIJQJNRQSA-N 506.081 3.425 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2ccc(C)cc2)cc1 20061103 LVYWTTIMWZUCSW-JVWAILMASA-N 527.599 3.375 50 40 KGGB O=C(N/N=C1\C(=O)N(CN2CCc3ccccc3[C@@H]2CN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cccnc1 97967391 IWGQMVVVVNQBSK-ITGWPROISA-N 570.609 3.415 50 40 KGGB COc1ccc(/C=N/NC(=O)CSc2nnc(SCC(=O)N/N=C/c3ccc(OC)cc3)s2)cc1 100701881 GDFGOHJDYCRSFM-ASIDMNOUSA-N 530.657 3.040 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 408771344 HGXNCZPDSUETRB-JVWAILMASA-N 527.599 3.375 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 408804912 CGFLIXBXNBGCGR-DBFSUHOCSA-N 574.377 3.107 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 409109400 CYMWMJRJFJXIMV-WPWMEQJKSA-N 511.600 3.444 50 40 KGGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(I)c1O 1083285 LYKZTPORFYQMMB-ZVHZXABRSA-N 502.308 3.392 50 40 KGGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 13615274 HYKZWJVAFFDOMR-YZSQISJMSA-N 509.544 3.289 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1 28213007 NMXCUKIJHKOBAU-CVKSISIWSA-N 514.991 3.274 50 40 KGGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)CC1 100202696 UCENJYZIDPYNCI-UXHLAJHPSA-N 550.015 3.165 50 40 KGGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 102995459 FHUUTJMGOUWBDD-UHFFFAOYSA-N 522.366 3.275 50 40 KGGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC(N)=O 409219178 KEDNTFNUARPAKA-VIZOYTHASA-N 505.312 3.326 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2C)c(OC)c1 409247177 BOXXJRQPHALXHW-FCUAXUHVSA-N 519.396 3.148 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1cccc(Cl)c1 28213271 XSCFZRJZLJEQRF-CVKSISIWSA-N 521.039 3.084 50 40 KGGB C[C@@H](NC(=O)CNP(=O)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 73297987 DPBBAFCXOXMQBB-RNAHPLFWSA-N 583.625 3.481 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1C#N 97955883 JAZLPHJZUKZESJ-TXNBCWFRSA-N 540.168 3.191 50 40 KGGB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1 100087320 WQLBSJKVDLVNGK-FSGOGVSDSA-N 550.681 3.282 50 40 KGGB COC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OC 408747386 NDVRKKZWZHRYFM-PXNMLYILSA-N 506.296 3.075 50 40 KGGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 408779934 NXNPBJFEDCYJEU-ZRGSRPPYSA-N 508.478 3.174 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409174545 NJBSCHSOLQJHBM-JLHUVHHFSA-N 673.302 3.215 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409252986 AFODKYCHJYMUGL-RPPGKUMJSA-N 531.407 3.211 50 40 KGGB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](Br)[C@@]1(Br)C(=O)N(c2ccccc2)N=C1C(=O)OCC 96168989 NNVYLJJPCFXTMN-KMEZTADASA-N 634.281 3.432 50 40 KGGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 408825307 RWUUTFFILDCPQK-YGDLGDLOSA-N 559.044 3.069 50 40 KGGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc(Br)c1OC 408922727 GPJNSIHQOCKZFN-RQDDCGEVSA-N 605.442 3.195 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 409185123 JMIJGQRCYFVQGS-VOWJQMTESA-N 585.082 3.360 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCCCC2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409313766 DDELGWKBNNEPES-UXHICEINSA-N 536.448 3.331 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1529547303 KLXMPPDWXNJTNY-ZPBGBCLFSA-N 531.978 3.133 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OCC)c1 1529548332 CSNWDNIBQAWTAU-CGGVTCGFSA-N 649.520 3.196 50 40 KGGB C#CCOc1c(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 1529549464 ZRVAYEYONIYKHF-MZSCTZEFSA-N 662.506 3.197 50 40 KGGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1Br 408753548 NHXDNWKUWKCZSB-QOOAHNBZSA-N 510.410 3.136 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1OC 408788005 BZYKWUHDMUABAK-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB COC(=O)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408792081 HMZVPBYBMHXRRF-OVCLIPMQSA-N 503.305 3.342 50 40 KGGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 408844789 WPEKMLCAGMXKBP-KEBDBYFISA-N 519.215 3.137 50 40 KGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408880648 HQUCMYCUUAMYDQ-VUTHCHCSSA-N 579.635 3.332 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 408978283 HRYILFRBEILDPO-MTDXEUNCSA-N 541.626 3.105 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2c(C)cccc2C)cc(I)c1OCC(N)=O 409010185 ATQANGGNAJFTPS-ACNXWRNMSA-N 672.520 3.427 50 40 KGGB O=C(COc1ccccc1I)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O 409104806 FQSRUNXIABPBNE-WSVATBPTSA-N 520.077 3.197 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OC)c1OC 1529549092 SOIHQJVUFKCIEE-UXPWFEKTSA-N 552.653 3.317 50 40 KGGB COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)cc(OC)c1OC 3081206 SQPVNGJPMFUSOQ-RPPGKUMJSA-N 563.348 3.457 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(C)cc2)cc1OC 100304374 KAZSGWADFTZLBA-RDRPBHBLSA-N 597.650 3.103 50 40 KGGB COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 103064852 BTYWIKFAVCAQDK-UHFFFAOYSA-N 546.001 3.384 50 40 KGGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408956591 RIKYTULOFDLOCN-KWJFVLQOSA-N 647.081 3.409 50 40 KGGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1cccc(NC(=O)c2ccccc2)c1 409026625 UXCVPTOSSKFWNB-YZSQISJMSA-N 509.544 3.154 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2OC)c2ccccc2)cc1OC 409116336 LOQYFHRMICXAPN-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OC)c2O)c2ccc(Cl)cc2)cc1 20061157 QQBXABBQFXZXPO-AFUMVMLFSA-N 503.964 3.408 50 40 KGGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-] 25423529 NONFALSULTYOHW-UHFFFAOYSA-N 513.557 3.395 50 40 KGGB C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101228513 JZSHMHJIFVMRNU-FZWAFEACSA-N 547.627 3.232 50 40 KGGB O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1CCSS1 169723002 NTUJKFCBMVRCFR-INADMSBESA-N 634.931 3.489 50 40 KGGB in-vitro O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccc(Cl)cc1 408685286 LFIMHHOAQAEGTB-MKXGPGLRSA-N 552.798 3.072 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 408829127 OFNGPJMIMMWHHS-JVWAILMASA-N 509.584 3.201 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 408879105 ATMNZYAGOQZWPL-AJBULDERSA-N 594.690 3.441 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 408882605 RRLBORKXAAPOHZ-FZKWRIDDSA-N 611.611 3.379 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)OC)c(OCC)c1 408952059 VDTMDEWZJUAQJC-VWLOTQADSA-N 710.547 3.127 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC#N)c(OC)c1 408952516 WESGXATXKFISGO-QHCPKHFHSA-N 572.043 3.136 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OC(C)=O)c(OC)c1 408954306 NHMFAPZRWUGWON-WQIORWNCSA-N 603.426 3.103 50 40 KGGB CCOc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c1O 409124606 AZLANWPFKNZIDO-JFLMPSFJSA-N 529.546 3.047 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC[C@@H]2C)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409310630 BPZWVNJTSZLWFN-MRFFXTKBSA-N 536.448 3.330 50 40 KGGB CCOC(=O)C1=c2s/c(=C\c3ccccc3Br)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1Br 2604802 CRNOWSXJZRWGBK-ZYNFKGNASA-N 587.293 3.426 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770118 ZMGQMGBYOAIFLO-IFMALSPDSA-N 534.594 3.161 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408679900 FOTBBGZOXZRHDK-BXLNKUBBSA-N 501.171 3.064 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C\c2ccc(OC)c(Oc3nc(Cl)ncc3F)c2)c(=O)c1C#N 409004765 QXGWXLSEIXVIDN-HYYKAVFWSA-N 593.797 3.471 50 40 KGGB Cc1cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1Br 409163654 VPCCJFQERGQZQN-KQCGQVILSA-N 596.276 3.283 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1C 409251522 PJKXRAWVRIEMMH-CCVNUDIWSA-N 518.998 3.056 50 40 KGGB C/C(=N/NC(=O)CSc1nnc(SCC(=O)N/N=C(/C)c2ccc(O)cc2)s1)c1ccc(O)cc1 100839669 XLTCNHDJOQEGNI-GACBQCINSA-N 530.657 3.214 50 40 KGGB C[C@@H](O)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)NCCc1nc(-c2nc(C(=O)NCCCBr)cs2)cs1 150398601 PAKYNTPWKCAXRB-YJYMSZOUSA-N 629.584 3.395 50 40 KGGB CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@]34C=C[C@@]5(C[C@H](OC(C)=O)CC[C@]5(C)C3=CC[C@]12C)[C@@H]1C(=O)OC(=O)[C@@H]14 263611428 XCRYSOZAEGNUJX-BPMONYIDSA-N 510.583 3.475 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408679902 FOTBBGZOXZRHDK-DJWYYIDESA-N 501.171 3.064 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3I)s2)cc1 408731328 LUMFOVRUFBTZFX-WSDLNYQXSA-N 534.383 3.154 50 40 KGGB O=C(Oc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)c1ccccc1 408778639 JFTCIBXVJRLBAV-PDQROTASSA-N 632.720 3.120 50 40 KGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 408797583 SEYQYWZOWOOKML-OVCLIPMQSA-N 550.305 3.486 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OC)o2)cc1 408923698 KFIUANBNAUSERA-XBLJSKHHSA-N 590.589 3.462 50 40 KGGB Cc1c(C(=O)N/N=C/c2cc(I)cc(I)c2O)sc2ncnc(N)c12 408973717 PWHQUTHNTVPQHC-IPBDZQFASA-N 579.161 3.261 50 40 KGGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1 408999754 RSDMUGSKWGBZEC-KYEFCJKTSA-N 561.389 3.210 50 40 KGGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1OC 409169579 QYTPDXLAVVGTDI-LQKURTRISA-N 504.543 3.373 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)cc1O 1529544844 PXHFVHXMFNNXRJ-HIWKEIFESA-N 539.658 3.123 50 40 KGGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547501 LJUHDUDSGOAMIR-GHSKZQDZSA-N 662.506 3.197 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)ccc1Br 408678471 FOUSTEXSGLCPQH-KSXHKMMQSA-N 607.093 3.017 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccc(Oc2ccccc2)cc1 408829347 PDASUEGTWZRKFH-NXENVEDLSA-N 580.663 3.069 50 40 KGGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408863490 OQNCOAORQOOZBH-YJCKXXIQSA-N 514.785 3.135 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccccc1C 409150575 CICJATGKRIJKBH-UXHLAJHPSA-N 502.571 3.220 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 59646723 QEPDHHCJRZLVCU-ZZEVNCIZSA-N 582.654 3.154 50 40 KGGB O=C(N/N=C/c1ccncc1)c1ncn(Cc2cccc(Br)c2)c1C(=O)N/N=C/c1ccncc1 98045796 NHAZUHKONHZSIP-HZUVFDMRSA-N 531.374 3.012 50 40 KGGB O=C1C(NNC(=O)c2ccccc2O)=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)C2=C1CC=CC2 101081065 JABLIADSVNQRTH-DIBXZPPDSA-N 528.384 3.332 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 103900098 ZDDGMANKSBEBDA-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 103900970 LYDHGEOSJCWVRN-QGYJZDEZSA-N 578.691 3.323 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408678620 BSMMSVUWTXPEAO-HXVSIASKSA-N 576.669 3.297 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(Cl)ccc3OC)S(C)(=O)=O)cc2)cc1 408863901 QXWVFKGVWBUEPE-RWPZCVJISA-N 575.043 3.291 50 40 KGGB COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1[N+](=O)[O-] 409368760 LBHDPLHKLDFGKB-YSMPRRRNSA-N 526.571 3.262 50 40 KGGB O=C(NNC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc([N+](=O)[O-])cc1 409380394 MGWLAUGTAVIFHJ-UXHICEINSA-N 590.328 3.198 50 40 KGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccc(OC)c(OC)c2OC)C(C#N)=C(N)O3)cc1OC 2138092 PGXXRTMKDLYQFH-QHCPKHFHSA-N 519.554 3.466 50 40 KGGB biogenic Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)N3CCCCC3)o2)cc1 408824570 RCZSLSYIRYEYBV-VEILYXNESA-N 522.627 3.442 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)c(OC)c1OC 16215730 RGMDXRXTDIAQFE-OVVQPSECSA-N 511.600 3.096 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)Cc2ccccc2)cc1OC 100304683 VXZZYRZKNUTGBP-OHUYPAJKSA-N 620.684 3.333 50 40 KGGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)CSc2nc3ccccc3o2)C1=O 101005290 RLWVHPXDRYNQLG-PDGQHHTCSA-N 528.637 3.367 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c([N+](=O)[O-])c2)c(OC)c1 408952349 KCQLALFVTYSZHM-UELCYLQASA-N 620.413 3.095 50 40 KGGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1OC 409249366 HMMBEWNORAKGTK-OCSSWDANSA-N 502.571 3.350 50 40 KGGB COc1cc(/C=N/NC(=O)c2nn(Cc3cccc(Br)c3)cc2[N+](=O)[O-])cc(OC)c1OC 1091809 CVBJIWFMTPFWBS-AUEPDCJTSA-N 518.324 3.392 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770019 FRCPUOJNJZNRKL-PZJWPPBQSA-N 504.568 3.152 50 40 KGGB CC(C)C[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3)C(=O)O 102817198 UKEGJFCNVSBHRO-JNWGFSROSA-N 582.691 3.030 50 40 KGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 103900964 LYDHGEOSJCWVRN-ODZASTSJSA-N 578.691 3.323 50 40 KGGB COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1=O 408537270 UVXWQLIRSXVXBQ-FUSDPXDGSA-N 533.928 3.216 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1Cl 408687703 VHIGAEKCAKFHHS-DQOWRFHUSA-N 583.060 3.253 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c(OC)c1 408922810 HFWKUZHSGKSLLK-NIXKDODNSA-N 551.383 3.428 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OCC)c(O)cc1Br 408944725 JMLZRQNSPMYLRT-QHCPKHFHSA-N 591.484 3.438 50 40 KGGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)c2)cc1Cl 409258343 UQIXFNZCEUYVNF-VFLNYLIXSA-N 522.945 3.161 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409260565 SDIQIMXZBMSAKN-WKULSOCRSA-N 508.962 3.441 50 40 KGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cccc(C(F)(F)F)c1 409380390 MGFSDUXLNFSGAM-RPPGKUMJSA-N 514.298 3.469 50 40 KGGB O=C(NNC(=O)c1ccncc1)Nc1ccc(Cc2ccc(NC(=O)NNC(=O)c3ccncc3)cc2)cc1 100354071 CPZZUULUBXNIJF-UHFFFAOYSA-N 524.541 3.000 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408687697 PFRXLDNWMZLHHJ-MKXGPGLRSA-N 597.249 3.181 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408688167 QAMUTKHMIFIBPR-KBXIAJHMSA-N 609.109 3.415 50 40 KGGB O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cc(Br)cc(Br)c1O 408962221 RAHMWZXDFBMRBK-OPEKNORGSA-N 564.234 3.495 50 40 KGGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 409131987 QESSQRMOXLYLCV-STBIYBPSSA-N 540.573 3.291 50 40 KGGB COC(=O)COc1c(I)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1I 409373589 VFFNZCPZGWEDNN-NKVSQWTQSA-N 623.141 3.049 50 40 KGGB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 8819123 CXEOGNSJNARATJ-MFOYZWKCSA-N 503.518 3.246 50 40 KGGB C=C(C)c1cccc(C(C)(C)NC(=O)NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 12572359 KGJPIWYZQWTPMI-UHFFFAOYSA-N 503.581 3.210 50 40 KGGB N#C/C(=N\Nc1ccccc1)C(=O)N/N=C(/c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 13409773 DCBKXOBZVHUKFK-STJQTKKMSA-N 500.584 3.477 50 40 KGGB N#CC1=C(N)n2c(s/c(=C/c3ccccc3I)c2=O)=C(C#N)[C@H]1c1ccccc1I 97972355 BEGARCXCCJLURJ-XSORJCKLSA-N 634.240 3.070 50 40 KGGB CCNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1 408608608 HWAWMMSOJDEECC-AUEPDCJTSA-N 515.735 3.118 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)cc2)cc1 408752396 FBOICWCNKPHBEO-KZFQQGOLSA-N 552.653 3.474 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 408856564 CMJKXEFKOODKBK-RWPZCVJISA-N 575.043 3.291 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OC(C)=O)cc2Br)c(OC)c1 408950153 GMVSEDLAYHJGJI-BKVYHCDLSA-N 633.452 3.112 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Br)c1OC 408994047 YDWCKHQEJRRRRA-IZWKTHEGSA-N 530.379 3.177 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409027294 FYZCKNWOJVPCQA-CVKSISIWSA-N 515.975 3.237 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cc2OC)cc1 409161082 WBUMKHUSUUELRW-LQKURTRISA-N 504.543 3.373 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OC)c(OC)c2)Cc2ccccc2)cc1C 409372928 QSQRWEPWTIFXMZ-YUMHPJSZSA-N 511.600 3.362 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1cc(Cl)cc(Cl)c1 103898073 MUFUXZONMVBEPM-KKMKTNMSSA-N 553.424 3.198 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)cc(Br)c1OCc1c(F)cccc1Cl 408602277 CRNFUSPKILNSAT-KBKYJPHKSA-N 530.778 3.432 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c(OC)c1 408925060 SRMRRLDROSNGGF-WYVORDNDSA-N 590.589 3.462 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCC#N)c(OC)c1 408948340 CTEBHCUDXVPAIL-FNMFPPKFSA-N 600.426 3.080 50 40 KGGB COc1c(Br)c(C[C@H]2CC(C(=O)N/N=C\c3ccccc3F)=NO2)c(OC)c2c1OCO2 15085972 YKHKXJRRXBHSCC-VWFKWJMUSA-N 508.300 3.172 50 40 KGGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1cccc([N+](=O)[O-])c1 105651408 INBJDGNQARFQSN-REZTVBANSA-N 537.051 3.274 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 408862730 HRIPOLCZIHUIPH-MIMCIKNBSA-N 608.717 3.413 50 40 KGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408867825 KEGHYLPXAUHQQT-STKMKYKTSA-N 555.679 3.006 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c(OC)c1 408947917 BQFUDCXVYSROMG-ZLXUYPTFSA-N 534.491 3.434 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409165047 RQSXGFPVPGNTLB-JLHUVHHFSA-N 628.851 3.106 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1OC 409185376 KXPVTKMBYKLOCV-YDZHTSKRSA-N 510.410 3.247 50 40 KGGB C=CCc1cc(/C=N\NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)cc(OC)c1O 409196936 SRSPTCZACIZCRM-MRUKODCESA-N 503.353 3.142 50 40 KGGB N#C/C(=C\c1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 13659256 PDIMBFHYZAKLSB-LYBHJNIJSA-N 511.607 3.355 50 40 KGGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc(I)cc1 408779698 IBNHHYLHIGZVTA-UDWIEESQSA-N 505.765 3.251 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408784229 ACIINKWWNMLYIL-WPWMEQJKSA-N 539.570 3.298 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 408875888 MAXCLUAEMJRGAB-AFUMVMLFSA-N 500.508 3.397 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1OC 408925018 RPYBFSKLXINICC-OHPKEMRTSA-N 617.453 3.361 50 40 KGGB O=C(Cc1ccc2c(c1)OCCO2)NNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 2662199 CWMOZUTXECRBHA-UHFFFAOYSA-N 535.500 3.281 50 40 KGGB O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)NNC(=O)[C@H]1COc2ccccc2O1 2663275 JYDVQIWOEAEMIJ-YDYPUGOESA-N 513.959 3.141 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccccc3C)[C@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770449 XFZWFLPXBAKKSZ-PZJWPPBQSA-N 504.568 3.152 50 40 KGGB CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 102998862 YMSVZTVZSXUPHZ-JOCHJYFZSA-N 583.063 3.044 50 40 KGGB CCOc1ccc(CC(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OCC)c2)cc1 408711785 KHPYBNLKWMFXPH-FSJBWODESA-N 526.327 3.245 50 40 KGGB CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)c1ccc(Cl)c(C(F)(F)F)c1 408786306 PATZTULQQIWWCA-UHFFFAOYSA-N 553.744 3.360 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(Br)cc2)c1 409381199 DOEFLDJWDCFPPM-YADHBBJMSA-N 583.391 3.363 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 103864534 PDMPQZNCSZYQTG-KSEXSDGBSA-N 603.211 3.323 50 40 KGGB CCCC[C@@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408682760 GUQUVEAMCUSNNZ-AZFUDACUSA-N 565.626 3.442 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)cc1Cl 408781931 DEEYJVWRDGIANA-CIAFOILYSA-N 535.791 3.260 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccccc2F)cc1 408826628 HUTVMLSYPRTREK-JUGGUAMHSA-N 582.654 3.154 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 409379050 UTGUNIHNBFXSES-DQEYMECFSA-N 589.601 3.195 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(OC)c1 19950615 KHSGDSKPEOYXCT-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB COc1ccc(CC(=O)N/N=C/c2cc(I)cc(I)c2O)cc1 408728330 JUAHTVPXNIYPOP-DJKKODMXSA-N 536.107 3.303 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cn(CC)c3ccccc23)c(OC)c1 408958231 XYDRMTWWNSLBKY-YTRZNWOSSA-N 533.585 3.390 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409154943 OZPFVEABTCDXQS-VVEOGCPPSA-N 597.422 3.279 50 40 KGGB O=C(CNc1ccc(I)cc1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 103801360 VHWPDJWBTNHMAY-FBCYGCLPSA-N 519.093 3.230 50 40 KGGB CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)cc1 104403287 SPBITPVUJNXSPZ-FSJBWODESA-N 526.327 3.404 50 40 KGGB O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccc(O)c3)C2=O)SC1=S)NNC(=O)c1cccc(O)c1 150453894 GAVPPBPUHDCVHQ-OCEACIFDSA-N 758.926 3.373 50 40 KGGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408535317 NPFNMRKPSSOKTG-SODVTCOWSA-N 503.902 3.207 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408796020 NZPVWCZTKZHTQY-RIYZIHGNSA-N 522.295 3.493 50 40 KGGB C=CCn1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)c2ccccc21 408922461 FHVUZJWNSCHRKL-FCRNLXMDSA-N 531.569 3.166 50 40 KGGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1O 408942986 GUFWRHIXCBNDLB-RUZDIDTESA-N 552.653 3.404 50 40 KGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)cc(I)c1O 409373580 QUWSNVRRZNVGCA-QGMBQPNBSA-N 504.078 3.360 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1 9233155 ZHIBUBAVZAHZAK-RWPZCVJISA-N 504.543 3.427 50 40 KGGB C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101228506 JZSHMHJIFVMRNU-KOQLXHKWSA-N 547.627 3.232 50 40 KGGB Cc1ccc(C)c(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 101233539 ITPAVPAATFBDRV-XAMXYERUSA-N 541.236 3.196 50 40 KGGB O=C(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)NNC(=O)c1ccc(Br)cc1 408668622 MKFFSBOKFKDXKK-UHFFFAOYSA-N 510.388 3.456 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c1 408881735 KGCZOXIJXQQDSJ-LQKURTRISA-N 557.625 3.384 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3)c2)cc1OC 409152168 AKXVQOARVAFQFN-OKCVXOCRSA-N 583.439 3.293 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccccc1 409172354 CUAFLDLKVXDXOB-AMVVHIIESA-N 552.971 3.251 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409176277 ZTKDYZUEPPESBJ-IURWMYGYSA-N 658.449 3.429 50 40 KGGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1 409376270 WNUZKHWJTAJYEY-WOJBJXKFSA-N 545.331 3.290 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)cc(Br)c1O 100698152 OUGQHIWLCWRDHR-HFLRGAGPSA-N 550.369 3.434 50 40 KGGB COc1cc(C(=O)N/N=C/c2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)cc(OC)c1OC 103764308 JJQWRYMQMRCHHI-OKCVXOCRSA-N 577.594 3.435 50 40 KGGB C[C@H](O)[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)NCCc1nc(-c2nc(C(=O)NCCCBr)cs2)cs1 150398605 PAKYNTPWKCAXRB-ORAYPTAESA-N 629.584 3.395 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(I)c2O)c(OC)c1 408947766 BHDWOWMGPPTBMO-SAHICILTSA-N 642.834 3.379 50 40 KGGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)s2)cc1 408969058 GMPDYDIRZWKFKT-DHRITJCHSA-N 536.526 3.669 50 40 KGGB COc1cc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])cc1OC 408976617 BGFWUKABNFLKRD-AUEUWSLNSA-N 526.571 3.480 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc(Br)ccc2O)cc1 409368537 AXLJBPMJPPKMSY-JVWAILMASA-N 573.469 3.497 50 40 KGGB O=C(N/N=C/c1ccc(O)c(O)c1O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 3241112 BBCMIOHWWNAWLJ-SSDVNMTOSA-N 506.334 3.131 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)COc2ccc(C)cc2)C(C)C)cc1 8440943 JGHJGVCTPHOOFZ-AREMUKBSSA-N 532.597 3.237 50 40 KGGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(C)(=O)=O 28213527 KNRFYIDOUQMAND-JVWAILMASA-N 508.600 3.237 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 408819572 ZKEINQVMFGOOFF-JEPNHJGPSA-N 659.721 3.361 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Br)cc2)c(OC)c1 408943658 HZDDANKXYNCCSP-ORMFSKTFSA-N 545.390 3.178 50 40 KGGB C#CCOc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408947663 OBOFNZKHVAAYNJ-XMMPIXPASA-N 571.055 3.246 50 40 KGGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NC[C@H]3CCCO3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409331045 CEXNOFKKSMMKLE-ZNOIYHFQSA-N 542.441 3.158 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OCC)c1 1529548333 CSNWDNIBQAWTAU-JYJOXHSLSA-N 649.520 3.196 50 40 KGGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 408751666 BHRQWHGQEMJNMD-YDZHTSKRSA-N 511.541 3.481 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1OC 408863092 PDFYGBGNOSVMOG-MFKUBSTISA-N 542.526 3.094 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)cc1OC 408876442 PEFDZCJBSOHIEQ-WGOQTCKBSA-N 527.555 3.195 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409155106 BQRGFQXWGFNLRJ-QAYGKXGKSA-N 580.423 3.299 50 40 KGGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 409252362 SCBPJTPHLWJGKI-RDGMUBKLSA-N 526.899 3.122 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409258866 WFYTVEUQBVTKPC-IPPBACCNSA-N 506.559 3.388 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409260162 LUFXVNOFRDJHBS-OCSSWDANSA-N 502.571 3.486 50 40 KGGB N#CC1=C(N)C(C#N)(C#N)[C@@]2(C(=O)Nc3ccc(Br)cc32)[C@@H]2CN(Cc3ccccc3)CC=C12 8926180 KCZAZZNAOXLEEO-QFQXNSOFSA-N 511.383 3.481 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408683110 HKRZZIZFKSAHQP-JYUSNPHGSA-N 576.669 3.298 50 40 KGGB O=C(NCc1ccncc1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 408831231 QGKHPKXTVJPMOV-LJUMEUDFSA-N 566.039 3.486 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)Nc1ccc(F)cc1 408838335 VDCRIQJLRAQPOH-KZYYCBDDSA-N 679.752 3.057 50 40 KGGB C=CCn1c(C)c(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)c2ccccc21 408923668 JXPVYHFPLUZNLH-RMTFRRHQSA-N 545.596 3.474 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409155143 CDEWVFNEKFCELL-PNQUVVCRSA-N 664.840 3.466 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)NCc3ccccc3)[C@@H](c3ccccc3Cl)C(C#N)=C(N)N2C1=O 3770124 XVDBYMBXQIUTPH-ICSRJNTNSA-N 508.987 3.166 50 40 KGGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12854343 CBDNIMRWJFHIFN-ZHACJKMWSA-N 506.925 3.104 50 40 KGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12 33959705 LODGWRLHSKDXBY-NLXLYBOQSA-N 501.536 3.290 50 40 KGGB CCOc1cc(Br)c(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC 101311329 DFSDXSQWXZMUJM-RANSDVRYSA-N 511.847 3.087 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408670374 ZSNLHWKMBBGTBS-UHFFFAOYSA-N 517.966 3.410 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(I)c1OCC(=O)O 408748752 HBFUPZQRNLQNRD-LSHDLFTRSA-N 512.300 3.234 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 408872731 PGRKFHHYQLJFNL-DBFSUHOCSA-N 574.377 3.107 50 40 KGGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)N3CCN(c4ccccc4OC)CC3)c2C)cc1 408885062 WSYINMMOROIMDN-VUTHCHCSSA-N 503.603 3.300 50 40 KGGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409013395 UVAQIKWWELRFCD-JJFYIABZSA-N 542.184 3.486 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC)c1OC(C)C 1529548448 GQQINBKGTITSMS-NBUDSHOTSA-N 540.642 3.367 50 40 KGGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1 408612696 XAXWVGJWEDKTQK-KBKYJPHKSA-N 539.814 3.413 50 40 KGGB COc1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)ccc1OS(=O)(=O)c1ccc(F)cc1 408973643 NFQWOYBZPLZVMK-LDWYRGJHSA-N 525.558 3.068 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)NCc1ccccc1 409160176 WEDOUPNZIVYEQN-OCSSWDANSA-N 502.571 3.486 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409257955 VEAXXJBCKBHQRU-WKULSOCRSA-N 508.962 3.441 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409320987 DBMDBGBXEKOWFR-RTWAWAEBSA-N 544.427 3.245 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c1C#N 97955884 FKBZWTUBALMTAU-KTZMUZOWSA-N 556.211 3.479 50 40 KGGB COc1cccc(Nc2nnc(SCC(=O)NNC(=O)CCc3cc(OC)c(OC)c(OC)c3)s2)c1 102994293 KNPUXCYPYGUZIX-UHFFFAOYSA-N 533.632 3.188 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 408683730 IQLFJXNTJWVMDO-DMAQGEDHSA-N 628.314 3.293 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccc(F)cc2)cc1OC 409128241 HVCSMJGHNRQEKV-AFUMVMLFSA-N 516.507 3.097 50 40 KGGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)c1C 409157176 UMSSANGFCMIYRI-RPPGKUMJSA-N 503.397 3.306 50 40 KGGB CCOc1ccc(C(=O)N/N=C/c2cc(I)c(OCC(=O)O)c(OCC)c2)cc1 20764938 CPNXUJMFVCVNDP-SSDVNMTOSA-N 512.300 3.316 50 40 KGGB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 102656872 BDONKWODKKTWLD-BIVLZKPYSA-N 514.214 3.022 50 40 KGGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)c1 408691378 ZOKAAYDBTCPYLB-VSKUHVEHSA-N 562.362 3.369 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S(C)(=O)=O)c(OC)c1 408861988 HCSPSKFVJBPGLL-VULFUBBASA-N 502.568 3.167 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc(Br)c1OC 408864660 YBNPEONDSYAQMM-LSHDLFTRSA-N 518.817 3.344 50 40 KGGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1OC 408893816 NHVHUZFTIYOPER-SFNZXDEDSA-N 546.624 3.159 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cccc(C)c2C)cc1 409026732 WIQLZVNATQQXSL-ZCTHSVRISA-N 578.691 3.195 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OCC(N)=O 409225896 SIQVOUYETMERMR-OVCLIPMQSA-N 505.312 3.408 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCC(=O)OC 408542050 JQOGSFLRTBLASG-CHHVJCJISA-N 550.305 3.486 50 40 KGGB CC/C(=N\NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1 409026856 AIGTXNKLUHEPLP-OQKWZONESA-N 545.399 3.005 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409165834 AMZFKANVPIIHIJ-UUSFDFBMSA-N 601.376 3.239 50 40 KGGB COC(=O)C1=c2s/c(=C/c3ccc(OC(C)C)c(OC)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(OC(C)C)c(OC)c1 2593163 YNVDDSHHONJLCM-WFOHXBHASA-N 591.686 3.102 50 40 KGGB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1[C@H](Br)[C@@]1(Br)C(=O)N(c2ccccc2)N=C1C(=O)OCC 4266362 NNVYLJJPCFXTMN-MIAKESKMSA-N 634.281 3.432 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 28212883 KTGWTNFUFPFTPX-OGLMXYFKSA-N 522.627 3.244 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408688067 PVLMHAFIVMQPJC-AYCMENBISA-N 576.669 3.298 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccccc2F)cc1 408826630 HUTVMLSYPRTREK-VJLPIKFPSA-N 582.654 3.154 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1 408924436 OEZNYQFLMSTZGY-RJRLBWOVSA-N 563.523 3.193 50 40 KGGB C#CCn1c(C)c(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c2ccccc21 408947222 AWMYFTLIYKBVIF-LNVOYTOWSA-N 557.607 3.312 50 40 KGGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccco1 409111919 ACZTUVBQTPQCNE-FYJGNVAPSA-N 509.325 3.230 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1OC 409141929 KHIKWOJGTIQGNK-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 409376844 DICPQYTXETXMFK-FTJBHMTQSA-N 613.579 3.446 50 40 KGGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529546297 DWAKMUJBJYBZNN-MEIHFEFKSA-N 619.096 3.176 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccccc1 19952115 SRUPSQNBLJCIFB-DHRITJCHSA-N 501.948 3.423 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1 20210266 OSASFYMFJHYMHR-MFKUBSTISA-N 512.544 3.099 50 40 KGGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)NCC(C)C)cc2OC)cc1 408612605 WBSMFCVLFZEPSK-UVHMKAGCSA-N 549.422 3.096 50 40 KGGB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)cc1 408689444 YDUNHEQPESFLOW-ZKXGSZBFSA-N 549.395 3.060 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)c1 408863530 SOXBJFKNWFNROS-MTDXEUNCSA-N 567.624 3.094 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 408865410 CDWOYLUCGPRCSD-LQKURTRISA-N 538.626 3.246 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409256643 PVPMDJISLQDLDX-OCSSWDANSA-N 502.571 3.486 50 40 KGGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 14921557 NEMBSITYMSRGKC-FBCYGCLPSA-N 503.103 3.363 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccc(C)cc2)cc1OC 19955582 KPFYWLWIFHPMDG-MFKUBSTISA-N 512.544 3.266 50 40 KGGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCCCOC(C)C 408615068 LMPMJOSEJPHXSH-MZJWZYIUSA-N 533.423 3.156 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1O 408754354 MVIDXEZIQXFVHO-DOUQRPAJSA-N 512.426 3.315 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409303137 LRASUDWYFGQXBS-VQTJNVASSA-N 558.410 3.345 50 40 KGGB COC(=O)[C@]1(C)Nc2c(O)cc3c(c2C1=O)C[C@H](Br)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 3924556 SUWUAMDOMCWKCL-GWQKEKGPSA-N 588.411 3.406 50 40 KGGB biogenic COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C(\C#N)C(=O)NC3CCCCC3)CC2)cc1 9075345 OKIPZEXCJBBVTI-XUTLUUPISA-N 512.614 3.386 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1Cl 408843044 QXYONLZSGDQWIJ-JFLMPSFJSA-N 535.066 3.392 50 40 KGGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408864637 YTILAFOJJCWENY-RDRPBHBLSA-N 615.506 3.032 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409151190 AMXNYXLOBPHTCX-OCSSWDANSA-N 502.571 3.486 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1 409263126 ACYLOAQNNQZDEZ-YEEYNWEUSA-N 503.397 3.448 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccc(C)cc1 409352226 WUAALMYFVPMHGX-AZPGRJICSA-N 506.584 3.004 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547948 SESJPKDFMSPWAF-HIWKEIFESA-N 538.626 3.145 50 40 KGGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1250966 QKZOBIKABLHSEX-ZYXQYABUSA-N 539.375 3.317 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 2189786 IAMAPAHSVXTVBE-RTBURBONSA-N 545.371 3.467 50 40 KGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]12 70680841 LODGWRLHSKDXBY-COKYKJFISA-N 501.536 3.290 50 40 KGGB biogenic O=C(CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(OC(F)(F)F)cc1)NNC(=O)c1cccs1 150508703 MSIATQADQZENBC-UHFFFAOYSA-N 668.701 3.469 50 40 KGGB C#CCOc1c(I)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408945748 LJUHDUDSGOAMIR-DEOSSOPVSA-N 662.506 3.197 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)ccc1O 409370752 DRADZBXVHQIFBC-YUMHPJSZSA-N 527.599 3.149 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1cccc2ccccc12 20214931 CKNOBJUZJNFIQB-FOKLQQMPSA-N 504.362 3.247 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)S(C)(=O)=O)cc1Cl 103897555 BPIQGODIYNZPPZ-LSHDLFTRSA-N 534.816 3.045 50 40 KGGB CCCCCCCCC/C(CC(=O)N[C@H]1CCOC1=O)=N\NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 299817362 YRIITMQTGYYHQE-GUGUZOBNSA-N 537.727 3.147 50 40 KGGB in-vitro COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)c1 408682377 GENVJGYRWKNXOE-QYRJXPSASA-N 517.365 3.461 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408687995 VVSLOOCYLOAGMD-IXFQNSDBSA-N 570.278 3.071 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1OC 408871969 IOZQSPJKIZHNHK-OVVQPSECSA-N 525.583 3.211 50 40 KGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OCC)c1 408907424 NLLYJOWZLGOGHB-YBNTXHARSA-N 536.379 3.119 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)C(C)(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409124133 JHEMJBNCFUTTIL-PCLIKHOPSA-N 507.609 3.455 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OC 409150239 AXWDDTBKQCSGGL-WCMJOSRZSA-N 553.015 3.492 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F 409270899 INVIHSKWHICJTR-IPPBACCNSA-N 508.497 3.104 50 40 KGGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CCCCC1 2416751 AESOWPVRWLRJOR-NKFKGCMQSA-N 531.638 3.480 50 40 KGGB COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NNC(=O)COc3ccc(C#N)cc3)ccc2C)cc1Cl 3452809 LDGNMTPJPHVRFJ-UHFFFAOYSA-N 559.000 3.178 50 40 KGGB CCOC(=O)C1=NO[C@H](Cc2c(OC)c3c(c(OC)c2[C@@H]2C(C#N)=C(N)OC4=C2C(=O)CC(C)(C)C4)OCO3)C1 100238260 GGTGZHKQWFXHLG-YJYMSZOUSA-N 553.568 3.134 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)cc1Cl 408682248 KOSGNMSCOYWLDO-YMKLRKBFSA-N 627.511 3.362 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 408860060 RNGRCMNLKYSKOJ-UBIUZYBUSA-N 585.082 3.360 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1 408862552 GDZGQVGLCCTLSH-FDAWAROLSA-N 615.108 3.240 50 40 KGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)S(=O)(=O)c2ccccc2)cc1 409025787 WPGYBUHVSILUNP-WPWMEQJKSA-N 509.584 3.146 50 40 KGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)n1 409240011 PFKYBAUNDFSGNU-NGYBGAFCSA-N 568.178 3.251 50 40 KGGB N#CC1=C(N)n2c(s/c(=C/c3ccc(Br)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(Br)cc1 2334280 XCGGMIQEFLEQBM-MMWCCMKASA-N 540.240 3.386 50 40 KGGB O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cc(Br)cc(Br)c1O 28351256 JPEVWNIDCQJWEN-FMCGGJTJSA-N 510.230 3.185 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 211033470 XZZLMVVSNCZUTR-YZSQISJMSA-N 542.570 3.356 50 40 KGGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 408684675 KFEIKFIFGBTSGX-MRVPVSSYSA-N 533.151 3.289 50 40 KGGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)cc1 408685522 LJYJBUYMFDXVOQ-ZOGCLFRTSA-N 544.391 3.411 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1ccc(Br)cc1 408840585 HBMOPVMXXUXLPY-CVKSISIWSA-N 565.490 3.193 50 40 KGGB COc1cc(Br)c(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2cc(OC)c(OC)cc2Br)C=3C#N)cc1OC 408977716 XTIKWHTWOUESAG-RRAPWRIQSA-N 660.344 3.421 50 40 KGGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)OCc1ccccc1 408988087 GVCVOUGZOMWTIA-OFGWUUMASA-N 501.499 3.356 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC(=O)[C@H]2C(=O)OC)cc1 409318262 XZDYILKKMXCXDC-VXKWHMMOSA-N 507.568 3.200 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccc(OC)cc2)=C(C#N)[C@H]1c1cccc(Br)c1 409320752 DYVWKDUXQJXAGC-RTWAWAEBSA-N 544.427 3.245 50 40 KGGB COC(=O)C1=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2C(N)=C(C#N)[C@@H]1c1c(F)cccc1Cl 2056681 BLVOORGUPGKDLV-QOTSWMAJSA-N 520.344 3.096 50 40 KGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccc1O 9845869 WRUSGBURXGIMIU-ZVHZXABRSA-N 502.390 3.496 50 40 KGGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1cc(Br)ccc1OC(=O)/C=C\c1ccco1 100054804 KUGXWHGJQWCJMN-UASAKHKWSA-N 540.326 3.270 50 40 KGGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccccc3F)cccc2OC)cc1 408609948 MFHXVKIIRNMPGL-RWPZCVJISA-N 508.506 3.339 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)c(OC)c2)cc1OC 409168643 NKYZMJDKURQUNZ-VTNSRFBWSA-N 562.623 3.156 50 40 KGGB CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)c2)cc1 409269355 HSSPYZBYPUMRAM-FDAWAROLSA-N 532.597 3.093 50 40 KGGB CCOC(=O)c1ccc(N2C(=O)/C(=C\NNC(=O)COc3cccc(F)c3)c3ccccc3C2=O)cc1 3419216 GRNLXDGTPFRJRU-HAHDFKILSA-N 503.486 3.230 50 40 KGGB COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])c2)cc(OC)c1OC 9905813 XEOVPYHTUJYCAH-VULFUBBASA-N 509.471 3.369 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 59472858 BUYQWLWPYAGYQO-CVKSISIWSA-N 515.975 3.237 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408785270 XVJAJBYKTPEVJU-RWPZCVJISA-N 576.027 3.498 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 408838447 WJLBYCHKHFPFIW-CVKSISIWSA-N 560.426 3.347 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)C)cc1 408947518 NURAMPVADHKKEZ-XMMPIXPASA-N 510.616 3.359 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408957841 WKXRUSGHSXLMBS-SBLXYKOCSA-N 647.479 3.120 50 40 KGGB CCOc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc(I)c1OCC(N)=O 408999458 CXASUFHVNAQUQZ-MIHYEXDHSA-N 664.522 3.422 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cc1OC 409121424 ZSJFMFCKVWAVBX-AFUMVMLFSA-N 516.507 3.097 50 40 KGGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 409142419 KIYLLZGFILTDAI-OEAKJJBVSA-N 535.363 3.342 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409259026 XBSVXURSTUNNMQ-KBVAKVRCSA-N 532.597 3.495 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(I)cc2)c1C#N 97955881 JNPOVHJDTLFGLD-GZIVZEMBSA-N 543.159 3.304 50 40 KGGB O=C(N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)N1CCCC1 100398215 SSMSQLZIDAGGQB-YUMHPJSZSA-N 529.018 3.397 50 40 KGGB C/C(=N\NC(=O)CN(c1cccnc1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1 408778579 HRRBGPVHLCGBLN-LFVJCYFKSA-N 534.379 3.422 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 408829536 PKMBMJQYZSZTMJ-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(OC)c2)c(OC)c1 408956955 RWZIEEOOFUIVJC-COWWJRFYSA-N 630.452 3.089 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 409256703 OYDBHVTVFIJAJT-OKCVXOCRSA-N 518.570 3.105 50 40 KGGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(=O)OC)cc3)[C@H](C(=O)OC)C(=O)N2)cc1 409324199 RMFCGQASAQLWIZ-YADHBBJMSA-N 507.568 3.145 50 40 KGGB CCOC(=O)N1CC=C2[C@@H](C1)[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)C2(C#N)C#N 664190 HVARMSBQVRYMEU-BTYSJIOQSA-N 504.550 3.269 50 40 KGGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 20233249 VJTNLUXSPRHOKR-KOEQRZSOSA-N 510.528 3.102 50 40 KGGB COc1cccc(NC(=O)CC(=O)N/N=C\c2ccc(N(CCC#N)CCC#N)c(I)c2)c1 104222380 XUGKIBZJPHRDDP-YUMHPJSZSA-N 558.380 3.412 50 40 KGGB COc1c(I)cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1I 408734901 LGLILHARMJQIEC-JXDHDYMSSA-N 538.123 3.107 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1 408862131 FPMJOFKGOCLECI-LQKURTRISA-N 538.626 3.246 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)O 408884949 WCZVXXKQTDPFSS-SAMQYFKISA-N 588.864 3.268 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OC(C)C)c(OC)c1 408950649 HGBYCFKGRHEDCZ-BCFKDBPXSA-N 554.600 3.211 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2cccc(Cl)c2)cc1 409139806 OTSNGAXSPORHIA-FFWFIYGGSA-N 615.108 3.368 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409160652 VKNOCHIEONSDKY-VVEOGCPPSA-N 597.422 3.279 50 40 KGGB COc1cc([C@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 2215961 OILXYSYKRIDDLL-QHCPKHFHSA-N 538.626 3.301 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(CC#N)c3ccccc23)c(OC)c1 408956194 PUELDNPOQFRXFW-QTAIGWCFSA-N 558.595 3.202 50 40 KGGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2cc(Br)ccc21 409205657 RXTNKBSSJZUTOS-RQZCQDPDSA-N 539.386 3.118 50 40 KGGB CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409242816 PERYUCVBWJRSNL-LSFURLLWSA-N 511.398 3.049 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 59436969 JSKAHHKNSSPDSS-JVWAILMASA-N 525.583 3.129 50 40 KGGB C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100777608 GJLHYGAHXVIOTM-KIVGVXHLSA-N 616.708 3.226 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(O)c(OCC)c1 408943276 HJYBINIKIJECQL-QFIPXVFZSA-N 547.033 3.329 50 40 KGGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OCC(N)=O)c(OCC)c2)cc1 409219236 KKDMTPJQEJLXKX-OQLLNIDSSA-N 535.338 3.498 50 40 KGGB Nc1nonc1-n1nnc(C(=O)NN=C2c3ccccc3-c3ccccc32)c1CN1CCCc2ccccc21 2387971 YLKJKAZBBQDVPO-UHFFFAOYSA-N 517.553 3.348 50 40 KGGB O=C1CSc2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)cc2N1 13134976 UFHDRXZTKSJHLX-UHFFFAOYSA-N 516.988 3.260 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OCC(=O)OC)c1)S(=O)(=O)c1ccccc1 59401644 DYNATKRCYQUJLV-WPWMEQJKSA-N 509.584 3.146 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408678616 BSMMSVUWTXPEAO-CFXGOVQXSA-N 576.669 3.297 50 40 KGGB O=C(N/N=C\c1ccc(O)cc1)c1ccc(S(=O)(=O)c2ccc(C(=O)N/N=C\c3ccc(O)cc3)cc2)cc1 408722970 YNCCOKYDIZUWQT-LZUTUTKMSA-N 542.573 3.458 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408765725 ZPMGOEWLCXKRCL-LPYMAVHISA-N 500.445 3.043 50 40 KGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)c(O)c(I)c1 408905792 DXJWWWYRGYLVJS-RSFOSLOZSA-N 607.186 3.409 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c([N+](=O)[O-])c2)c(OC)c1 408952350 KCQLALFVTYSZHM-ZGVXQSDHSA-N 620.413 3.095 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(I)c2)c(OC)c1 408955171 ODYXFNASJNDUBA-VVKUOSDESA-N 622.416 3.029 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409029064 VEKCVOOVKAXBFK-WGOQTCKBSA-N 542.570 3.356 50 40 KGGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(I)c(O)c(I)c1 409236009 DWNSFQYCYBRTFV-UWVJOHFNSA-N 524.071 3.433 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1 1529544575 JJXHNXOYBGGGFR-UAXWITGPSA-N 591.484 3.438 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408862899 JERIUPOXGGZNCR-HUEHPZEESA-N 594.690 3.023 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC 409162031 CCVILOIQIITXCU-WCMJOSRZSA-N 569.014 3.192 50 40 KGGB COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(C)=O 409386119 LGQZFZOYGCRJRZ-CLJLJLNGSA-N 721.455 3.158 50 40 KGGB COc1cc(-c2n[nH]c3c2[C@@H](c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc(OC)c1OC 8410185 ZFSJOSSPZFYDLX-NRFANRHFSA-N 533.541 3.152 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)Cn2c(C)c(Br)c(COC)c(C#N)c2=O)cc1OCC 8861627 AQGYATONFNENHQ-RPPGKUMJSA-N 517.380 3.051 50 40 KGGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 16157508 QYUMNQQHUFNYTK-LPYMAVHISA-N 500.445 3.043 50 40 KGGB COc1ccc(C(=O)NNC(=S)NCCCN2CCOCC2)cc1COc1ccc(Cl)c(C)c1 33522471 UPEQWNUSZIZXMO-UHFFFAOYSA-N 507.056 3.067 50 40 KGGB CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OCC(=O)N/N=C/c1ccc(C(F)(F)F)cc1 59222127 CHPOCZCBTSRUBL-QJPXTZMYSA-N 534.491 3.434 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OCC(=O)NCc2ccccc2)cc1 408613472 ZUHMVOUARBDQPM-UXHLAJHPSA-N 516.554 3.044 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c(OC)c1 408925012 RNHXYRSDWFQPPN-KNHJPHDESA-N 590.593 3.341 50 40 KGGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1I 409220933 HXFOQAIJOIAZGH-PDGQHHTCSA-N 504.324 3.499 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2cccc3ccccc23)c1 409380613 OMFJYAAAJHOKCQ-FTJBHMTQSA-N 586.553 3.154 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(Cl)c(Cl)c2)cc1OC 9329598 WHYPDIRHVUCLKK-KIBLKLHPSA-N 517.333 3.378 50 40 KGGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 20210925 XQPKXWRNBKRMLS-AUEPDCJTSA-N 508.316 3.393 50 40 KGGB COc1cccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(S[C@H](C)C(=O)N/N=C/c3cccc(OC)c3O)s2)c1O 97966511 YZAYELWWLSAOLC-JKSZQZSFSA-N 590.709 3.228 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1OC 100308895 YHBALMYMWJPLIG-OKCVXOCRSA-N 538.988 3.184 50 40 KGGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccc(Cl)cc1Cl 100858416 SWVOTQDYIZFFFD-FMCGGJTJSA-N 534.263 3.213 50 40 KGGB COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 408644961 ISXDTMPKYIEZQZ-UHFFFAOYSA-N 526.771 3.224 50 40 KGGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(OC)c(OCC(=O)O)cc2Br)c(OC)c1 408867026 JPGCIAYIYAMLKC-GIDUJCDVSA-N 505.321 3.162 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529546864 HXIRPXLILIAJPR-MEIHFEFKSA-N 710.547 3.127 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408681975 FSCQKFPEHAPVGY-PBDPTEOLSA-N 596.194 3.354 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1I 408747949 WBERHUORPVJUJU-ZVBGSRNCSA-N 594.143 3.220 50 40 KGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408955947 PRXUCZDETNUXOM-HSGXLUIGSA-N 585.013 3.089 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl 409251568 PRAFHBSJEHHXHB-DDFZXGMKSA-N 509.788 3.485 50 40 KGGB COc1ccc(/C=N/NC(=O)C2=NO[C@@H](c3c(Br)c4c(c(OC)c3OC)OCO4)[C@@H]2C)c(OC)c1 100237305 UVCBPJWGSCJZPC-ZQKCOEJMSA-N 550.362 3.426 50 40 KGGB O=C(NNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 150452206 GLKBORKSPLDQBD-VGSWGCGISA-N 681.498 3.398 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cccc(C(F)(F)F)c1 408690251 UNVNBSSGQJFXSK-YULKNUEKSA-N 596.194 3.355 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)C)c(OC)c1 408942620 GHNFAWQZUHTEAQ-RUZDIDTESA-N 540.642 3.367 50 40 KGGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OC 408948535 PICJXHLDAFRRMB-RUZDIDTESA-N 522.627 3.309 50 40 KGGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408958160 XKYIYVPPDQDCFH-JCJXWKAISA-N 633.054 3.019 50 40 KGGB CCOc1cccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1O 409118530 QZCBHOQXRYDXFH-WGOQTCKBSA-N 519.620 3.282 50 40 KGGB CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)ccc1OCC(=O)N1CCOCC1 409165096 SIKLBWJHVLGVAK-OGLMXYFKSA-N 575.460 3.345 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1)Nc1ccc(Br)cc1C(F)(F)F 409255390 JYZSNUZSLDZSAU-NSKAYECMSA-N 527.297 3.214 50 40 KGGB CCOC(=O)Cn1cc(/C=N/NC(=O)CNc2ccc(I)cc2)c2ccccc21 409360420 FIQDBAYAUZKDMO-BHGWPJFGSA-N 504.328 3.371 50 40 KGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H](C(=O)OC)C(=O)N1 2312303 DQPGIOZFGMUAJH-DHIUTWEWSA-N 539.610 3.384 50 40 KGGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNS(=O)(=O)c3c(C)cc(C)cc3C)c2)cc1 2655249 LRBKYJHAYHHPDQ-UHFFFAOYSA-N 503.602 3.045 50 40 KGGB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)cc1C 8449869 HZBUFJLPXPAAGQ-SVBUTHHQSA-N 541.236 3.197 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(O)c(Br)c2)c1C#N 27519394 KHXPPEXIVDLUTB-QPJQQBGISA-N 512.158 3.168 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)c1 59437070 FOGWEIDSLPIORM-JVWAILMASA-N 509.584 3.201 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc(C)c1Br 408686927 NVYXZGYNODNNBL-XGUBFFRZSA-N 609.109 3.470 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(OCC)c(OC)c2)c(OC)c1 408955413 OPNVXATWRIFDBM-DFSPORNYSA-N 666.469 3.427 50 40 KGGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 409271758 MTBQWYDVWASFPD-LQKURTRISA-N 520.542 3.209 50 40 KGGB C#CCOc1c(Br)cc(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 1529548536 IMAGFZHZGUZWQS-NUVFXGIKSA-N 630.477 3.254 50 40 KGGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1I 408540640 APZJDLHEJFKPKO-AUWJEWJLSA-N 506.252 3.087 50 40 KGGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408683450 LHPLSYYODXAIOM-ZNMQONGHSA-N 521.589 3.464 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408687485 OWEIACUPDXEIMO-RRBVXWDCSA-N 621.120 3.406 50 40 KGGB COc1ccc(C(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1OC 408785149 ZCTJGDAHODPDSI-FSJBWODESA-N 522.377 3.302 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)S(C)(=O)=O 408861960 VVCNRIKAPYNTIK-CVKSISIWSA-N 526.571 3.407 50 40 KGGB CCOc1ccc(Cl)cc1C/C=N/NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 408924626 PNVTUOHOLMUGCO-OJESDODKSA-N 544.992 3.272 50 40 KGGB COc1cc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 409021284 ZXQSBVOROYRCGK-JFLMPSFJSA-N 515.563 3.193 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409273340 XKTJIIORUVEOBV-OKCVXOCRSA-N 526.634 3.409 50 40 KGGB C=CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1OCC 409318002 UBGKAMTYCYNJMA-MSXFZWOLSA-N 554.337 3.491 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O)c(Br)c1 1529545085 VMCPJGVXRZIWDH-YIQTUUEOSA-N 547.431 3.040 50 40 KGGB COc1ccc(/C=N\OCC(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1 100355683 HDCSXBORZOUNCR-KTTHOCFNSA-N 528.407 3.119 50 40 KGGB CC(C)C[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)O 100589095 UKEGJFCNVSBHRO-WLDRUZCVSA-N 582.691 3.030 50 40 KGGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)cc1 107591337 HZXHCFLWJSFEDW-ATVHPVEESA-N 500.349 3.241 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)c(=O)c1C#N 409194457 LRQULRKJABFUNW-TXNBCWFRSA-N 531.150 3.303 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccc(Br)cc1 409254115 HSWOGSLMAXLIJN-VSRRSJTHSA-N 519.396 3.230 50 40 KGGB CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)C1 8769562 YAQVERBIMMRPTL-INKLHFNDSA-N 520.611 3.429 50 40 KGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1 20060815 IDXNQABMUQRBBQ-CVLFLDGLSA-N 519.620 3.111 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(F)cc2)cc1 100136456 GNRJVXOFOWURDW-OGLMXYFKSA-N 555.588 3.225 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408686427 NCGULPZEFMAEHM-RNLQGSBTSA-N 628.314 3.149 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc(C)c1Br 408686925 NVYXZGYNODNNBL-TUVASFSCSA-N 609.109 3.470 50 40 KGGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1C 408773230 HNCOPHUVPITVDH-MSXFZWOLSA-N 533.404 3.226 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1OC 408833181 WHSIGFLPPZEKJU-MFKUBSTISA-N 542.526 3.094 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC#N)c(OC)c1 408953704 XUROODLMKLBQBT-HSZRJFAPSA-N 616.494 3.245 50 40 KGGB COc1nc(Oc2ccc(/C=N/NC(=O)CN3C[C@H](c4ccccc4)CC3=O)cc2)nc(N2CCCCC2)n1 408973187 JSSGCAWHVQXIQG-NRXPLXKSSA-N 529.601 3.129 50 40 KGGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O 4707100 DGOPINOGGYUGAU-RPWUZVMVSA-N 522.473 3.308 50 40 KGGB COc1cc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC(C)C)c(OC)c2)C=3C#N)ccc1OC(C)C 98044624 AJWIGLCUBHJZNL-BOLWRUQSSA-N 558.660 3.453 50 40 KGGB O=C(NN1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccccc1[N+](=O)[O-] 408638838 TWMVLVKTUBONJQ-KBXCAEBGSA-N 508.314 3.165 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408688075 PVLMHAFIVMQPJC-QHQVIKIASA-N 576.669 3.298 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408690248 UNVNBSSGQJFXSK-HPKFOSBRSA-N 596.194 3.355 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c(C)cc1Br 408691338 ZKMTUEOVPIUMAL-NRHSGRHJSA-N 532.218 3.013 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408751904 AFQUUYYRBBZWNF-YABZZONLSA-N 604.663 3.133 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1 408867946 LRGIMKUPGHKONP-ULPWCQAASA-N 535.866 3.296 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(O)c(Cl)c2)c(OC)c1 408949011 DPXBYECRHGCGOU-SAHICILTSA-N 551.383 3.428 50 40 KGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)c(O)c(OC)c1)c1ccccc1 408979741 OHZCCMUADLUFQY-BFTVFPACSA-N 511.316 3.333 50 40 KGGB Nc1c(C(=O)NNS(=O)(=O)c2ccccc2)c2ccccn2c1C(=O)c1ccc(Br)cc1 27526234 VDWXRTREBYUXJA-UHFFFAOYSA-N 513.373 3.138 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408680666 DOCBWMRNGQJZGD-JVSBHGNQSA-N 533.364 3.383 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408822232 IXOJRMDWVKPNLD-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccc(Oc2ccccc2)cc1 408829344 PDASUEGTWZRKFH-FTBWOGGGSA-N 580.663 3.069 50 40 KGGB CCc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1 409028702 QNYCYTKXGUQDDE-TURZUDJPSA-N 551.625 3.339 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(I)c1 1529548572 JEEBYXVHRAUIMA-AXDLBROPSA-N 578.432 3.176 50 40 KGGB O=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1 3118435 LXQDBZIVMSEYBR-UFHPHHKVSA-N 512.587 3.415 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 15224751 JOWXYIJUXXAOCP-VICVKWBVSA-N 522.627 3.168 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1C 59883853 OOPXSVNVHVPFQB-ODZASTSJSA-N 578.691 3.323 50 40 KGGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3OCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 102909569 FWBKKQCWVXGAHN-OAQYLSRUSA-N 567.396 3.042 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)ccc1OCc1ccccc1 409027821 HSIZSCQQSNLMEF-MFKUBSTISA-N 512.544 3.099 50 40 KGGB COc1ccc(OC)c(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)c1 409371518 GSWQLWJOVDKJPU-YUMHPJSZSA-N 527.599 3.062 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)ccc1O 9438751 KFCUANNACVVRAT-OVVQPSECSA-N 511.600 3.183 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1OC 20047767 UWOWFMPPLYWLTP-CVKSISIWSA-N 515.519 3.325 50 40 KGGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)cc1 101007186 XLJCKQMMXWFYIP-HKWRFOASSA-N 527.624 3.402 50 40 KGGB CCOc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)cc1 409369642 UBOOZWMSKCDJCB-PKAZHMFMSA-N 511.600 3.444 50 40 KGGB C[C@H](C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)N(c1ccccc1)S(C)(=O)=O 8384342 JEMWZVROKCNREZ-AXNZHVIBSA-N 512.563 3.148 50 40 KGGB CSCC[C@@H]1N[C@]2(C(=O)N(CCBr)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 15320660 KKPCCEPPJXTTQQ-CDSYHYPYSA-N 514.445 3.154 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(OC)c(Br)c2)c1C#N 100544365 NXPKFPUHBKQIEG-LIMNOBDPSA-N 526.185 3.471 50 40 KGGB C=CCNC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1 100996822 UXSJEFBJHQPYIE-KBKYJPHKSA-N 584.798 3.031 50 40 KGGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1OC 408750563 OTVUKXGIGFIWIF-JFLMPSFJSA-N 527.371 3.396 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OC 408767140 VZXREZMBUBRIAF-AOOMUMSASA-N 512.426 3.228 50 40 KGGB COc1ccc(C(=O)NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1I 2551598 PFBGZKLDDQISOQ-UHFFFAOYSA-N 519.364 3.331 50 40 KGGB O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 101027838 SKWUDEKCHDMXMM-OOAXWGSJSA-N 510.915 3.441 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 408679907 FOTBBGZOXZRHDK-LHVLRZJLSA-N 501.171 3.064 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408680175 DKWKOLKBPUKNMX-XRQDQGIUSA-N 596.194 3.354 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408691153 YMEYUVNBOFSILV-NBMJBFSESA-N 552.798 3.072 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccccc1C(F)(F)F 409161053 SWAYGLMFXNYFHF-JVKSUVAUSA-N 662.403 3.472 50 40 KGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)c1 409367625 GLTYNBLJPRVHOK-UFWORHAWSA-N 549.106 3.324 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)ccc1O 19951385 ZMYUIAFCHYJTMN-WGOQTCKBSA-N 513.572 3.154 50 40 KGGB C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1ccc(Br)cc1 100067791 ICZFXZOHTRBNCB-QCFPFWLESA-N 593.276 3.109 50 40 KGGB CC(C)C[C@@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3)C(=O)O 102817200 UKEGJFCNVSBHRO-PUYASUKQSA-N 582.691 3.030 50 40 KGGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)cccc2OC)cc1 408611887 XJQKZTGZGAYGND-LQKURTRISA-N 520.542 3.209 50 40 KGGB C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408687067 UDBCEEOUEIPRGB-NZJUZQPCSA-N 602.441 3.034 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1 408812434 WOEKPYSBSQZBFV-UXHLAJHPSA-N 610.714 3.416 50 40 KGGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408862178 GATJFOHMMBJWIA-GQCRFCPSSA-N 663.734 3.388 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1cccc(Cl)c1Cl 408923029 DSJUHRRQCAZMLX-VULFUBBASA-N 541.457 3.301 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 409263090 LMUKSYXLOZXLBH-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB NC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 13148261 QBSGVFAXQOFYME-HSZRJFAPSA-N 507.550 3.041 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 39986588 ZFEQOZKNFGISHO-DICXZTSXSA-N 509.632 3.440 50 40 KGGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 58881767 RETPNRNUTBBOFK-MUFRIFMGSA-N 508.962 3.175 50 40 KGGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3I)s2)cc1 408731880 QJLCRIGVSBYHNM-SRZZPIQSSA-N 521.340 3.096 50 40 KGGB CC(C)NC(=O)/C(C#N)=C\c1cc(I)c(OCC#N)c(I)c1 408773790 SNYUSNFPICHONB-WZUFQYTHSA-N 521.096 3.230 50 40 KGGB COc1ccc(C(=O)NNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1 6924835 VVJDHFNDWCDHND-MUUNZHRXSA-N 582.613 3.464 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc1[N+](=O)[O-] 15231323 NEBLDAGZBVONHD-NUGSKGIGSA-N 508.862 3.192 50 40 KGGB C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(Br)cc1 100858424 XAIWTHWYNGDMHB-HAHDFKILSA-N 558.296 3.058 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccccc1C(F)(F)F 408688586 RAISUOUPIHVDOK-MTJCSHQQSA-N 596.194 3.355 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408752297 HNYGNINQZZANFK-OEAKJJBVSA-N 514.472 3.433 50 40 KGGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(I)c(OCC#N)c(OC)c2)cc1 408806211 AEVYUGRFIMADOB-SXGWCWSVSA-N 503.296 3.434 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408864689 YGJCDSUPEJBGPI-PXFLCDOESA-N 594.690 3.023 50 40 KGGB COc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 408980707 SLAQUTHSCIWKOC-OVVQPSECSA-N 511.600 3.096 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409122123 ZJUDFFNLMRRKFA-OVVQPSECSA-N 527.599 3.457 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2Cl)cc1 409160038 SCURWIBGXQOHMO-AMVVHIIESA-N 536.972 3.415 50 40 KGGB O=C(O[C@H](C(=O)NNC(=O)c1ccc(Cl)cc1Cl)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 409378040 MTKYLTJBWBIPMF-VQTJNVASSA-N 545.331 3.290 50 40 KGGB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 18067625 OCKBQKFWOALBAK-RTBURBONSA-N 505.600 3.182 50 40 KGGB Cc1cccc(NCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)c1 98001352 FFDIEEOLLRVQSM-DNTJNYDQSA-N 535.123 3.472 50 40 KGGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408534028 KUWCCPHJXMKRPC-SPMLYMIKSA-N 521.892 3.346 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc(C)c1Br 408691039 XVNCKAOZNAYWIA-APPCYTQWSA-N 532.218 3.013 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)c(=O)c1C#N 409003097 DHURXGGQRJPYFD-VVEOGCPPSA-N 596.438 3.114 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409162678 GYAUZKXLWJFFGR-POGXFMHGSA-N 575.460 3.227 50 40 KGGB COc1cccc(/C=C2/SC(=S)N(CCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1 16695909 CTSCARDEQOZMJY-LDADJPATSA-N 500.558 3.046 50 40 KGGB CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)C1 103745459 UIAOHODOADCEPB-GBYSFBBLSA-N 541.605 3.469 50 40 KGGB O=C(CCN1C(=O)/C(=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccccc3Br)C2=O)SC1=S)NNC(=O)c1ccccc1Br 150454239 YHENKJJSIASHEF-FMQUCBEESA-N 800.558 3.146 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025223 RYIFDJQXTUGAHW-WPWMEQJKSA-N 527.599 3.457 50 40 KGGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21 1250968 QKZOBIKABLHSEX-CPKZMSMUSA-N 539.375 3.317 50 40 KGGB COc1cc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(Cl)c(Cl)c2)ccc1O 9349665 NOTCYAVGTSGKNH-PGGKNCGUSA-N 503.306 3.075 50 40 KGGB CSCC[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101229489 IBJXLVDWIALGNG-MJOXODNKSA-N 573.303 3.312 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSC1=C(C#N)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 102295668 MWZCAZYRXGEXJC-DEOSSOPVSA-N 537.667 3.441 50 40 KGGB COc1ccc(NCC(=O)NNC(=O)c2cccc(S(=O)(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2)cc1 105303995 INMKAPFHNLVGOR-DKODJIDWSA-N 540.686 3.452 50 40 KGGB C=CCOc1c(I)cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc1OC 105511410 SZEKDHRSBWVWCC-OPEKNORGSA-N 550.353 3.115 50 40 KGGB Cc1ccccc1NC(=O)C(=O)N/N=C1\C[C@H](C(=O)OCC(C)C)/C(=N/NC(=O)C(=O)Nc2ccccc2C)C[C@@H]1C(=O)OCC(C)C 150370280 IBSTTZPWSKYDIN-JRHCHOMYSA-N 662.744 3.250 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408680162 DKVLVEYTLZJLGB-LPWJVIDDSA-N 550.631 3.052 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)S(C)(=O)=O 408871986 ISZKKLJGGVOWDO-SSDVNMTOSA-N 517.833 3.093 50 40 KGGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409026436 OUSUNGPLMRDFSU-UVHMKAGCSA-N 535.409 3.203 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409256332 NSZDBRMJZGJVSD-XODNFHPESA-N 512.950 3.424 50 40 KGGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cc(OC)c(OC)c(OC)c1)Cc1ccccc1 409368527 ALSNOXPTUDPRKS-NTFVMDSBSA-N 541.626 3.371 50 40 KGGB O=C(CSc1nc2ccccc2s1)NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 97981368 ATKTWKNAIKUGSP-UHFFFAOYSA-N 558.132 3.081 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1 408690907 XCLOHWRMPLYLAQ-TVFCKZIOSA-N 602.276 3.047 50 40 KGGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(I)c1OCC(=O)O 408750306 ZSCBXXVJJLQCBH-DNTJNYDQSA-N 533.116 3.290 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408862901 JERIUPOXGGZNCR-ICLYNSGKSA-N 594.690 3.023 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)O)c(I)c1 408938882 ALTHRJFKHPNLBS-JOCHJYFZSA-N 731.363 3.402 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 409251388 PWELASFNUBZMDM-NVNXTCNLSA-N 501.337 3.276 50 40 KGGB COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OC 409409682 PYPBKYKSMJKOSH-UNOMPAQXSA-N 519.466 3.301 50 40 KGGB O=C(O)COc1c(Br)cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 408748677 GHQISGRKOZLKBJ-FBCYGCLPSA-N 501.087 3.347 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1cccc(C(F)(F)F)c1 408827541 KGDXKRZHSFFANK-LIMNOBDPSA-N 522.299 3.113 50 40 KGGB C#CCn1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)c2ccccc21 408924517 OYDUFOVACPWPCJ-MSXNQDMMSA-N 543.580 3.003 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1cc(Cl)ccc1Cl 409027776 DXTZSUCBFVQCTA-KKMKTNMSSA-N 553.424 3.198 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1OC 409157142 HUKXUNSAHDCPTH-VTNSRFBWSA-N 562.623 3.156 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409168563 MQZLVAANDSQAHZ-LUOAPIJWSA-N 610.792 3.330 50 40 KGGB COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)c(OC)c1 409372232 PPWCUWUUYGABAM-YUMHPJSZSA-N 527.599 3.062 50 40 KGGB CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 3143201 DCVKALKZVBZPQA-GQCQHCLGSA-N 501.499 3.311 50 40 KGGB CCC(=O)NC(=O)/C(C#N)=C/Nc1ccc(-c2ccc(N/C=C(\C#N)C(=O)NC(=O)CC)cc2OC)c(OC)c1 8431362 NIMTYVYVIXSOPC-YTEMWHBBSA-N 544.568 3.115 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 59246564 VLOUMIPDSQWASZ-KSEXSDGBSA-N 511.760 3.372 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)Cc2ccccc2)cc1 100070562 YRMYDKGYHBTKHN-OHUYPAJKSA-N 617.684 3.274 50 40 KGGB C[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101228510 JZSHMHJIFVMRNU-NNZSUNDYSA-N 547.627 3.232 50 40 KGGB CSCC[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101229482 IBJXLVDWIALGNG-UPQBIYOWSA-N 573.303 3.312 50 40 KGGB CCOC(=O)CNC(=O)[C@@H](CSSC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC)NC(=O)OCc1ccccc1 103559730 RKJMTMANTPUDES-DHIUTWEWSA-N 621.734 3.200 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408687013 OHAJFGUWKQUBRR-LYOOIBFTSA-N 628.314 3.148 50 40 KGGB CCOC(=O)COc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408945696 LDFIVJLAYZAIFC-VWLOTQADSA-N 680.521 3.118 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccccc2OC)cc1 409028150 HXGIZQNWRXFINL-KCSSXMTESA-N 606.657 3.338 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccccc2)cc1OC 409112903 CPOSADGJYHIAFZ-KCSSXMTESA-N 606.657 3.338 50 40 KGGB Cc1ccc(CN(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(Br)cc2)cc1 409162747 ZRVJXQHXUYDXGN-AFUMVMLFSA-N 501.406 3.494 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OC)c(OC)c1 1529545058 URXGCDPSWYWFQM-GPBZHFFBSA-N 591.484 3.351 50 40 KGGB CCOc1ccccc1/C=N/NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 59443846 GFGNWAZAKSAFKF-WPWMEQJKSA-N 527.599 3.457 50 40 KGGB O=C(NNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 102994964 NITANAACWDWDDL-UHFFFAOYSA-N 546.586 3.424 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 408824939 CAIYGHQBRDKUEU-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409130272 LBMZBVUSBLSGOG-JFLMPSFJSA-N 531.562 3.206 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl 409154429 AQGKUGXKXVUSQF-GONPRZRESA-N 649.269 3.369 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 409155153 CGEDLJIZUIPVNS-AMVVHIIESA-N 542.951 3.280 50 40 KGGB CCOC(=O)C1=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2C(N)=C(C#N)[C@H]1c1c(F)cccc1Cl 2372140 ZEDJLXJRSNZDCF-XUKORKDYSA-N 534.371 3.486 50 40 KGGB CSCC[C@@H]1N[C@]2(C(=O)N(CCBr)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100166501 KKPCCEPPJXTTQQ-GHCZAOPSSA-N 514.445 3.154 50 40 KGGB COc1cc(Br)cc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)c1O 101656040 CVFUNZCNYKDCCM-WYJRTQJISA-N 550.369 3.021 50 40 KGGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(I)c1OCC#N 103883588 NXJZJDOXSSZCLB-AQTBWJFISA-N 528.350 3.458 50 40 KGGB CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408661064 ATIYURVBNVTVCK-UHFFFAOYSA-N 517.966 3.410 50 40 KGGB Cc1cc2c(cc1/C=N/NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1)OCO2 409002527 OHESDSOFEXVLFW-ODDBZWQPSA-N 591.427 3.368 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OC)c(Oc3nc(Cl)ncc3F)c2)c1C#N 409008131 UIILKHGFPYTOJD-HIUVJMHLSA-N 514.901 3.321 50 40 KGGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccco1 1885259 XBAPCGRCXAPLRB-TWTVFJBWSA-N 554.353 3.067 50 40 KGGB CN(C)CCCNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 2793839 IHDVMFRZIWLRKZ-GDBMZVCRSA-N 503.982 3.257 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(OC)c(OC)c2)C(C)C)cc1 6190711 OWNMAASCJHTXEK-RUZDIDTESA-N 548.596 3.180 50 40 KGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)S(C)(=O)=O)cc1 59884367 VLGXIOLJARNHKP-CJHIPLPSSA-N 568.652 3.416 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408688170 QAMUTKHMIFIBPR-PYHGIMPFSA-N 609.109 3.415 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl 409154431 AQGKUGXKXVUSQF-YCVVVLRISA-N 649.269 3.369 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(OC)cc3)c2)cc1 409263669 NPBKDYJIMVQCRB-OGLMXYFKSA-N 502.527 3.366 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409270675 HABDQWYOLQIUQD-OCSSWDANSA-N 518.570 3.186 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](Cc3ccccc3)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70696966 TVNRJHJCDOMWKB-XHKRYKTESA-N 531.602 3.330 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)cc1 408678638 BSRQRAJUXVVHII-ZKXGSZBFSA-N 517.365 3.461 50 40 KGGB C/C(=N\NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)c1ccc(Br)cc1 408774018 VGBFLVCVKFZILU-JNPOWPEBSA-N 605.536 3.053 50 40 KGGB COC(=O)COc1cc(Br)c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408904265 HHDYZPMKKXBFKD-AFPJDJCSSA-N 506.265 3.428 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cc(C(F)(F)F)ccc1Cl 408922018 OAMCWPLLUKNUTA-RPPGKUMJSA-N 563.942 3.020 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1sccc1Br 408941462 DQSSGXIWQIPTGS-IBGZPJMESA-N 537.461 3.396 50 40 KGGB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 409379051 UTGUNIHNBFXSES-JWQCQUIFSA-N 589.601 3.195 50 40 KGGB COc1cc(/C=C\C(=N\NS(=O)(=O)c2ccc(C)cc2)c2sc(NNC(C)=O)nc2C)ccc1O 5832239 BKNQIIJRZQTGHW-ZFRLSTRVSA-N 515.617 3.333 50 40 KGGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 12537880 HEMGXFLEPPCMQB-UHFFFAOYSA-N 513.582 3.470 50 40 KGGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccccc2)cc1COc1ccc([N+](=O)[O-])c(C)c1 102458811 ADBYWVZACLQVLV-AMVVHIIESA-N 599.564 3.380 50 40 KGGB COc1ccccc1C(=O)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21 102558829 WLSBNWHJCUDYSA-CMQFCYAHSA-N 576.451 3.177 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1C 408686521 NHIDYUSYLYSGIM-QHQVIKIASA-N 532.218 3.013 50 40 KGGB Cc1c(C(=O)N/N=C/c2cc(I)cc(I)c2O)sc(N)c1C#N 408723734 GLMBLKSHLBUGHO-PTXOJBNSSA-N 552.135 3.189 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)cc1OC 409125817 FIYNIYKNTTWNRP-AFUMVMLFSA-N 516.507 3.097 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2cccc(Cl)c2)cc1 409126495 BJZUDQRMPKUYSY-AFUMVMLFSA-N 501.948 3.392 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc(Br)c1O 409185796 QGDLZLSPDGEXHT-ZVBGSRNCSA-N 504.790 3.041 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 409379639 YXGSVOTXTLVDEQ-DQEYMECFSA-N 589.601 3.195 50 40 KGGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1 3396649 CMMYQELZNZPRAG-TURZUDJPSA-N 515.595 3.324 50 40 KGGB C#CCOc1c(I)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408945751 LJUHDUDSGOAMIR-XMMPIXPASA-N 662.506 3.197 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC)c(OC)c1 408951463 UEFYLWQSJREWFY-JOCHJYFZSA-N 638.484 3.193 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409258506 VHFRJUSAMMSWFA-KWJLSGNOSA-N 503.397 3.448 50 40 KGGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(N)=O)cc1OC 409324285 RWTIYQJHOKOUMC-AQHIEDMUSA-N 529.185 3.247 50 40 KGGB COc1cccc(/C=N/NC(=O)[C@H](C)Sc2nnc(S[C@H](C)C(=O)N/N=C/c3cccc(OC)c3O)s2)c1O 97966512 YZAYELWWLSAOLC-VGKYJNTRSA-N 590.709 3.228 50 40 KGGB CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)C1 103745462 UIAOHODOADCEPB-CTOFZRSPSA-N 541.605 3.469 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(OCC)cc2)c(OC)c1 408612964 XXPLYQJCGBLVSE-MZJWZYIUSA-N 549.422 3.240 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408683113 HKRZZIZFKSAHQP-WITHRNOMSA-N 576.669 3.298 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc(C)c1Br 408683986 MSZOGVWURHQUKN-VVPJYYNSSA-N 501.171 3.119 50 40 KGGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OC 408745709 AAULAICUQKQBSD-LSFURLLWSA-N 577.169 3.387 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408874059 ZAIRGHSXBYFQAN-PCLIKHOPSA-N 500.602 3.451 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cn(C)c2ccccc12 408948862 PWWDEOBHPLJLDX-XMMPIXPASA-N 505.600 3.063 50 40 KGGB NC(=O)N/N=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 409383873 MVEUBHNPLHUBJP-FBCYGCLPSA-N 566.093 3.385 50 40 KGGB COc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2cc(OC)c(OC)c(OC)c2)C(C#N)=C(N)O3)cc1OC 2138670 MAKOLYFTLXXTES-DEOSSOPVSA-N 519.554 3.466 50 40 KGGB biogenic COc1c(I)cc(I)cc1/C=N/NC(=O)c1ccc(C)nc1 100291225 OWCADPZVBJKZHU-UFWORHAWSA-N 521.096 3.372 50 40 KGGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3OCC(=O)Nc3ccc(Br)cc3)C2=O)cc1 102909566 FWBKKQCWVXGAHN-NRFANRHFSA-N 567.396 3.042 50 40 KGGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253488023 VOZLIOSVTCAVIP-PLACYPQZSA-N 519.311 3.376 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(C)C)c(OC)c2)c(OC)c1 408955752 PEEUDTIOODBHDC-DZTMEJILSA-N 568.627 3.459 50 40 KGGB COc1ccc(Br)cc1/C=N/NC(=O)C1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 409004101 ALVISJUQGOEORK-AFUMVMLFSA-N 504.381 3.477 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409159019 MHAOKWAGIFRQCK-IURWMYGYSA-N 566.998 3.478 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409170696 WSLFVYFQFLAKJB-YPXUMCKCSA-N 604.323 3.065 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1OC 409262887 GBPFZYDQWGXLBF-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cccc(I)c1 409384535 CXFBZRBRXREYSI-FSJBWODESA-N 572.197 3.055 50 40 KGGB COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2OCC(=O)O)c1 15018321 HRGUYVOTWUCSQE-LPBXYBGUSA-N 503.511 3.088 50 40 KGGB CC(=O)Oc1ccc(/C(C)=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(\C)c2ccc(OC(C)=O)cc2)cc1 33957657 IRIWKSMMPYFJLH-GHDILCHKSA-N 526.615 3.428 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]23)OCCO1 112255761 HLHKRCDLTNTBPZ-YNURIMKJSA-N 535.600 3.488 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 211033545 ZDGSLNVMWNBCFT-WPWMEQJKSA-N 572.596 3.365 50 40 KGGB COC(=O)COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1I 408784164 SZJBOOGTNUBEQR-AQTBWJFISA-N 531.350 3.099 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c(OC)c1 408924078 NOLSIQAWRUULSN-VUCPWBMJSA-N 576.562 3.374 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1OCC#N 408950635 SFCZOFJGPWORAF-HSZRJFAPSA-N 586.468 3.236 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)c(I)c2)c(OC)c1 408956900 RPTOPLLOMCHQEZ-BDWZVBCLSA-N 636.443 3.419 50 40 KGGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408958580 ZDSZBPKAJHIHDF-HSGXLUIGSA-N 676.464 3.041 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)cc1OC 409117544 OJMKFMFTGBHNFZ-WGOQTCKBSA-N 530.534 3.487 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cc(Cl)ccc1C 409247979 FKTKSKSTBKWMBL-CCVNUDIWSA-N 518.998 3.056 50 40 KGGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 829299 HTSNDGUXMAKPGZ-ZMOGYAJESA-N 506.422 3.070 50 40 KGGB COC(=O)C1=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 1762292 AKHQDSBBWDEIKB-BHEJFATLSA-N 573.266 3.036 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccccc2Cl)c(I)c1 59246646 RBISPLNQAVHSBL-FMCGGJTJSA-N 513.763 3.306 50 40 KGGB Cc1ccccc1C(=O)NNC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3C)C2=O)SC1=S 150454312 NLEYESQCNFFMQN-WCWDXBQESA-N 698.874 3.018 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1cccc2ccccc12)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408690080 TZCAXRRDBLEQFL-HAXRTYFSSA-N 578.257 3.488 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1OC 409164193 DUCDTUPYKKICIG-KPGMTVGESA-N 674.492 3.452 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2cccc3ccccc23)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409370092 KURBMJZRVYTXSE-XZWHSSHBSA-N 702.625 3.004 50 40 KGGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 3115954 QNBRXJHQHIFHMT-KPSZGOFPSA-N 548.100 3.271 50 40 KGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 59881938 GCFOXOSTTPWTQJ-FNVGFWRISA-N 538.626 3.408 50 40 KGGB O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 102994797 LAWCOARIFSANLO-IBGZPJMESA-N 533.031 3.268 50 40 KGGB CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408957794 VZRNFRDZQPZPBP-HLPRYJLASA-N 647.479 3.120 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(I)c1 1529544275 BFZMFLJIDSGWFR-ORMFSKTFSA-N 608.458 3.185 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)cc1O 1529544843 PXHFVHXMFNNXRJ-FDBZCLHMSA-N 539.658 3.123 50 40 KGGB COc1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)cc1OCC(N)=O 1091964 BUGQURIFYZNHPY-YCPBAFNGSA-N 565.222 3.093 50 40 KGGB O=C(CCCC(=O)N/N=C/c1ccc(Br)cc1O)N/N=C/c1ccc(Br)cc1O 2728147 NVNRBNUXFLVNDU-CZGKVYIXSA-N 526.185 3.394 50 40 KGGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1cccc2ccccc12 97939482 DPQQDMQLUIPFPV-NLRVBDNBSA-N 529.460 3.449 50 40 KGGB COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)=C(C)N1 98048593 ZACOQCWTKKMACY-RUZDIDTESA-N 607.670 3.420 50 40 KGGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1OCc1ccccc1F 100878943 YKOMASZHEAOBLP-IPPBACCNSA-N 528.504 3.390 50 40 KGGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)cc1COc1ccc([N+](=O)[O-])c(C)c1 102458159 NQBIVXSXWWDXQF-VFLNYLIXSA-N 614.535 3.376 50 40 KGGB C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@@H]([C@H](OC(C)=O)[C@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]1Cl)[C@@]1(C)O[C@@H]1C[C@H]2OC(C)=O 102940374 ALCDJXWWURFGPE-ZJRMZEMWSA-N 527.010 3.100 50 40 KGGB COc1ccccc1CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c(Cl)cc1Cl 102995447 MNOINBQNJQZPME-UHFFFAOYSA-N 552.392 3.284 50 40 KGGB O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)OCC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 250255426 PZQVEXOIVNBRCZ-AMTYWOJFSA-N 664.259 3.318 50 40 KGGB COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)NNC(=O)c4ccc(Cl)cc4)CC3=O)cc2)cc1 408654080 JKEOFMABKPEHFA-SFHVURJKSA-N 537.956 3.498 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 408683733 IQLFJXNTJWVMDO-RNLQGSBTSA-N 628.314 3.293 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409121184 WWLUYCXSXIJTQW-JVWAILMASA-N 527.599 3.375 50 40 KGGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)cc1OC 409260184 MDZMSGMZKHJMLX-OCSSWDANSA-N 518.570 3.050 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccccc3C)[C@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770447 XFZWFLPXBAKKSZ-TZIWHRDSSA-N 504.568 3.152 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1 19950512 BRHJGKAFKLUBBU-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 58883711 UFEAPNSUISAMLQ-MTDXEUNCSA-N 525.627 3.405 50 40 KGGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1 101007203 ZEXXTKUVSQCRPD-SILNSSARSA-N 547.680 3.245 50 40 KGGB O=C(Cc1ccccc1)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccc(Br)cc21 101090431 SYHOOJJUBOURAZ-MRBMJXKRSA-N 560.452 3.097 50 40 KGGB O=C(NN1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccccc1[N+](=O)[O-] 408638840 TWMVLVKTUBONJQ-KSSFIOAISA-N 508.314 3.165 50 40 KGGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1ccc(Br)cc1Cl 408680857 HFUOTHGNQTVEFV-BANCJSOYSA-N 507.562 3.155 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1 408691347 ZLMCYGYHBPCKPL-YBZCJVABSA-N 532.336 3.360 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1OCC 408808902 GTEHIHRILVMRPK-MGMWDDNKSA-N 500.333 3.453 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cccc(Br)c2)c(OC)c1 408956978 RYQSGGRPIMKOJG-SHIRAINQSA-N 545.390 3.178 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccc(I)cc1 409027744 DUXMZIWKJIHNLX-CVKSISIWSA-N 606.442 3.225 50 40 KGGB COc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2OC)cc1 409151926 ICNRCRLXJOWRJA-KPGMTVGESA-N 690.491 3.152 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc1OC 409153427 LRYYSWSXGQRSSB-VTNSRFBWSA-N 546.624 3.456 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1 409265676 NPEJCFRTSWRECW-RPPGKUMJSA-N 513.348 3.135 50 40 KGGB COc1cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)ccc1I 1106802 SXHOHTBIQVIOMH-WYMPLXKRSA-N 552.394 3.119 50 40 KGGB Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1C 102659201 HZBUFJLPXPAAGQ-IWUPOPMTSA-N 541.236 3.197 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4C#N)C(=O)[C@H]23)OCCO1 112256094 OWXYVRZKKBTFGW-UYKHCAHWSA-N 546.583 3.364 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1OCC#N 408948481 PCIJPKCPJNVGPZ-QHCPKHFHSA-N 616.494 3.245 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OCC)c(OC)c1 408948736 DMFZLYFRMXYJOX-UDEUWVDHSA-N 666.469 3.427 50 40 KGGB CCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1OCC 409333919 KHQRGPLXEZXDTQ-KSEXSDGBSA-N 542.326 3.325 50 40 KGGB C#CCOc1cc(Br)c(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529548263 ZRKGPADKEOIXPS-OMXDSUCJSA-N 615.506 3.355 50 40 KGGB CCCCCn1nc(C(=O)N/N=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)c2ccccc2c1=O 3438206 ADFHCZBKNJULQH-JVWAILMASA-N 507.572 3.258 50 40 KGGB CC(C)CCN1C(=O)/C(=N\NC(=O)CC(=O)N/N=C2/C(=O)N(CCC(C)C)c3ccccc32)c2ccccc21 13598822 YQRCMGUAKDHGNI-YUGUBMJKSA-N 530.629 3.203 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)cc(OC)c1OC 59885618 URWIXFICXUTGLM-KIBLKLHPSA-N 523.917 3.301 50 40 KGGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCc3ccc(Cl)cc3)cccc2OC)cc1 408609809 LOQISNHBANFNDB-WKULSOCRSA-N 524.961 3.141 50 40 KGGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 408868186 NXWDBGZJOPVHSR-UVHMKAGCSA-N 535.409 3.203 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC#N)c(I)c1 1529546731 GXYAFIXLOHWXDB-OVCQRUIESA-N 633.468 3.079 50 40 KGGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1 8819588 PLBYHAZHYAUMGY-AQTBWJFISA-N 501.561 3.055 50 40 KGGB COc1c(C[C@@H]2CC(C(=O)N/N=C/c3ccccc3F)=NO2)c(Br)c2c(c1OC)OCO2 15083014 PVQDIYSOPCYSBD-HCEWCIACSA-N 508.300 3.172 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc(Br)c1OC 59647088 CQEDVCCXCNDUDQ-AFUMVMLFSA-N 533.404 3.207 50 40 KGGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)ccc1Br 408690216 UIDBPVMINCAINB-VNUXUXBQSA-N 621.120 3.407 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408830035 QWFLSRLNTHYQOV-OWLVZTDXSA-N 594.690 3.105 50 40 KGGB C[N+](C)(C)CC(=O)N/N=C(\C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)[C@@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 8659621 CQDNLYBHXVFQAX-LJQANCHMSA-O 621.055 3.150 50 40 KGGB COc1ccc(C(=O)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1S(=O)(=O)NCCCN1CCOCC1 102996243 KCCAGRNWYOJWHQ-UHFFFAOYSA-N 609.730 3.047 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC 408676058 DEFXTIRLCZFYLP-ZMOGYAJESA-N 537.354 3.216 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)c1 409109970 OTSKLPHFYHFLCS-JFLMPSFJSA-N 546.001 3.246 50 40 KGGB N#C/C(=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1)C(=O)NC(N)=O 409228329 XJCFUVOJSPMASB-XGICHPGQSA-N 618.125 3.485 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2cccc3ccccc23)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409380615 OMFJYAAAJHOKCQ-IZZNHLLZSA-N 586.553 3.154 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccccc2)cc1Cl 19951797 KRQCJDDZOYALME-AFUMVMLFSA-N 503.964 3.408 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 19955552 LIXZWLPMMBPQNX-JVWAILMASA-N 527.599 3.375 50 40 KGGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 20214211 FEFLULRPVXXBAY-YZSQISJMSA-N 509.544 3.289 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1C 28213197 NPRHUVAGZPEAQZ-RWPZCVJISA-N 526.590 3.376 50 40 KGGB O=C(NN/C=C1/C(=O)N(c2ccc(I)cc2)C(=O)N=C1O)c1ccccc1Cl 38186604 XSGZSMGLQWNANS-UKTHLTGXSA-N 510.675 3.186 50 40 KGGB COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCc1ccc(I)cc1 103864942 CFFVWWYYNLFJNN-MSXFZWOLSA-N 588.240 3.424 50 40 KGGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)N[C@H](C)c3ccccc3)cccc2OC)cc1 408608951 IQJUOYNMPPMRAJ-GBYSFBBLSA-N 504.543 3.049 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 408830418 RQEOKHBLXYYILW-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 408995738 DMOHWTPCZMMETB-DXJNIWACSA-N 560.632 3.316 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)ccc1OCC#N 409002050 LUGVXGIXSWCHHX-YGYFLSRZSA-N 618.453 3.242 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3F)cc2)cc1OC 409160406 WVLWMBLWYNBAOM-IBBHUPRXSA-N 601.429 3.432 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(Br)c(C)c1 409166160 CODUDXLNEZLJEX-MFYUCYCASA-N 626.302 3.291 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 1529548342 DBYDPKHYOLHHDO-HRVUXXLOSA-N 631.465 3.145 50 40 KGGB O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 2645389 UJNDVZCDUDZETE-UHFFFAOYSA-N 507.446 3.310 50 40 KGGB O=C(N/N=C/c1ccc(I)o1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 8386830 OLWCOODZCHNANA-RGVLZGJSSA-N 540.295 3.357 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1 28213077 PAPAODOYZYSLCN-YLNVQIAQSA-N 522.627 3.168 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(=O)c1C#N 103786316 NEEQDAGPEGHSAW-NSKAYECMSA-N 527.331 3.046 50 40 KGGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)cc(OC)c1OC 408537103 UMSSXLHWLIUCIZ-HCXDNJAASA-N 638.431 3.342 50 40 KGGB C=CCNC(=O)C(=O)N/N=C/c1cc(I)c(OCc2c(F)cccc2Cl)c(OC)c1 408601519 BEXMPXCZSRFBEL-KIBLKLHPSA-N 545.736 3.424 50 40 KGGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(C)cc(C)c2)c(OCC)c1 408611943 SOABGSPSRNIHFX-UVHMKAGCSA-N 533.423 3.458 50 40 KGGB O=C(N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1)C(O)(c1ccccc1)c1ccccc1 408747216 KPQLSIPTWKPHSU-YDZHTSKRSA-N 517.279 3.291 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1O 408943682 IAPHVMFVDDVCKL-NRFANRHFSA-N 547.431 3.040 50 40 KGGB CCCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 408951525 UMYWTNGMTBBILW-DEOSSOPVSA-N 510.616 3.360 50 40 KGGB CCOc1ccc(-n2nc(C(=O)N/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)cc1 409062227 QEHYSHOANSBBAI-LQKURTRISA-N 511.498 3.274 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 409132282 ZTZONDAPHMNAEX-JFLMPSFJSA-N 531.562 3.206 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1Cl)Nc1cccc(C(F)(F)F)c1 409268271 RULXRZNQBOHHPD-XOQNYUNISA-N 526.899 3.122 50 40 KGGB Cc1c(C(=O)NN=Cc2cc(I)c(O)c(I)c2)sc(N)c1C#N 409331019 BPZIGYQSTXSSQQ-UHFFFAOYSA-N 552.135 3.189 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1cccc(Cl)c1Cl 408910889 MBSRPEIVWFOIHB-QPSGOUHRSA-N 523.192 3.401 50 40 KGGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)N4CCOCC4)c(OC)c2)C(C#N)=C(N)O3)cc1 9434051 IYEHATDMCBEWLN-NRFANRHFSA-N 503.515 3.143 50 40 KGGB N#CCCCN1C(=O)/C(=N\NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 101626962 UHJOAVOKNDLFPT-SPFJCGJXSA-N 521.533 3.357 50 40 KGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)c1 102998971 OPNDKNMQVJHEHI-XMMPIXPASA-N 552.653 3.410 50 40 KGGB O=C(COC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1)NNC(=O)c1ccc(Br)cc1 408670862 YGVGHCQPOZHSIQ-UHFFFAOYSA-N 517.163 3.479 50 40 KGGB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1 408684384 JUSMFWASCNBIMY-VSKUHVEHSA-N 517.365 3.461 50 40 KGGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1OC 408948537 PICJXHLDAFRRMB-VWLOTQADSA-N 522.627 3.309 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(OC)c1O 1529544217 AXKTXAVGFGIPMG-MCBYZNMFSA-N 577.457 3.048 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 1529544415 DEYKYOUVTIXLRS-RLKVMJCBSA-N 577.457 3.048 50 40 KGGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)c2ccccc21 12361978 MPQKXOIDZRGYSO-VWLOTQADSA-N 500.971 3.101 50 40 KGGB CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c1O 36235349 CXJIFGPEONXVEY-DSXQODSPSA-N 518.482 3.349 50 40 KGGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21)c1cccs1 101090512 DBPKMLVQDCFACE-NJSYZNKFSA-N 552.454 3.230 50 40 KGGB CCOc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 102656864 GIDXFVDEGMPFDI-KKHNLUHISA-N 514.214 3.190 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(OC)c1 408921626 BCKCZDBLYBPNPO-VUCPWBMJSA-N 576.562 3.374 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(N)=O 408969226 JMHAHNRSKRGOMP-GOCYDNRNSA-N 577.476 3.080 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2ccc(Br)cc2)cc1 409342909 FGRHFXBNJGHDNO-SLEBQGDGSA-N 541.427 3.450 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1 28213409 FBRMROLUASNYHL-JFLMPSFJSA-N 512.563 3.068 50 40 KGGB COc1ccc(Br)cc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cc(Br)ccc1OC)C=2C#N 100050830 RJJADXABHHGLON-XTHAEVHISA-N 600.292 3.403 50 40 KGGB Cc1c(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)ccc(Br)c1Cl 408681742 INKINICXCXOUNL-XNUFQLSDSA-N 521.589 3.464 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408686690 NOLSKERYYGWTTI-YBZCJVABSA-N 609.260 3.037 50 40 KGGB CSCC[C@H](C(=O)N1CCCCCC1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408688774 XKNADNFDFSDNMB-YFFLOQLSSA-N 536.330 3.289 50 40 KGGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NN=C1C(=O)Nc2ccc(Br)cc21 408780995 PKNRBCXPGUMOPZ-UHFFFAOYSA-N 558.370 3.025 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1Br 408884455 UKKYPYSCGMCPPI-SRZZPIQSSA-N 532.258 3.194 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c(OC)c1 408921631 BIGFXEFLSXRANB-BGXXNGLISA-N 593.549 3.202 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Cl)cc1 409165048 RQSXGFPVPGNTLB-NHHTYEGYSA-N 628.851 3.106 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 409388736 VWTDDHLBLCADKK-FTJBHMTQSA-N 613.579 3.446 50 40 KGGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103558310 BCOCWDQCPRYCFE-XRXFAXGQSA-N 519.311 3.376 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OC 408760947 BDRRQGNMJAHSBY-AFEQLLIESA-N 573.453 3.460 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(OC)c1 408958413 YQCULGXLVIDVDP-WRXACXFYSA-N 594.625 3.314 50 40 KGGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 409112993 GCINFGQYQKMCIS-ZVHZXABRSA-N 563.373 3.335 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1cccc(Cl)c1C 409153746 DZNUYLNPNKQOOL-VVEOGCPPSA-N 552.971 3.170 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(CC)cc1 409164384 HUPKGSUNCAWMBY-HNSNBQBZSA-N 576.650 3.491 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC 409246513 CDUHGZNHZSTTJF-KSEXSDGBSA-N 514.291 3.074 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OC)c(OC)c1 1529546094 CQGVUTGGEJFJIJ-UAXWITGPSA-N 547.033 3.242 50 40 KGGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 19952605 GIQPVHAECGYOLT-ZVHZXABRSA-N 516.373 3.493 50 40 KGGB COc1cc(/C=N/NC(=O)COc2c(OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 100049031 IUFVRYAKGZFLOK-BRJLIKDPSA-N 569.439 3.177 50 40 KGGB COc1cc(C(=O)N/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)ccc1I 409102274 YKPJVZDHKWMAOM-WSVATBPTSA-N 520.077 3.440 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC#N)c(Br)c1 1529547936 RUFHUGCTJLXWKO-OVCQRUIESA-N 586.468 3.236 50 40 KGGB COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)c1 408530343 FCFHTMXJSHSTBR-VOZXZEHESA-N 533.928 3.216 50 40 KGGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)cc1 408531869 HJZYFGBBHGOGNJ-WWTGGXICSA-N 501.474 3.001 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1CC 409260482 QUBOSIUBKUMHAP-FDAWAROLSA-N 532.597 3.440 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409348886 TVQPJLFJFVOYGR-ZZIIXHQDSA-N 571.999 3.257 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408681524 FMFTWESCJQQEBG-SYQHCUMBSA-N 595.082 3.161 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cn(CC)c3ccccc23)c(OC)c1 408958230 XYDRMTWWNSLBKY-PUHWAULHSA-N 533.585 3.390 50 40 KGGB O=C(N[C@@H](C(=O)N/N=C/c1ccccc1Br)c1n[nH]c(=O)c2ccccc12)c1ccccc1 2181692 AKFZKSHAGMRBOQ-ODDBZWQPSA-N 504.344 3.307 50 40 KGGB COc1ccc(-c2cc(C(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)c3ccccc3n2)cc1 2623084 WJYMVRLVQLXGCB-UHFFFAOYSA-N 518.595 3.301 50 40 KGGB CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O 4707098 DGOPINOGGYUGAU-DNQXCXABSA-N 522.473 3.308 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Br)cc1Cl 408682246 KOSGNMSCOYWLDO-HOWZHXDLSA-N 627.511 3.362 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408683430 HZWUSOFVOCUGPS-NCOADZHNSA-N 558.267 3.215 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2ccc3c(c2)OCO3)c(Br)c1 408995489 ALYOOOWYLYULPI-VROXFSQNSA-N 555.223 3.302 50 40 KGGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1 409185162 SQZRXGSIATZQNB-AFUMVMLFSA-N 526.596 3.435 50 40 KGGB C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OC 409326462 KJVPEZUDQCCDSO-QRVIBDJDSA-N 508.312 3.483 50 40 KGGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cc4c(cc3Br)OCO4)s2)cc1 1512751 DUIGXPFTRVMZRT-LSFURLLWSA-N 502.350 3.283 50 40 KGGB COc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c(Br)c1 14921633 ILWLYKQWEHFMNM-FBCYGCLPSA-N 503.103 3.363 50 40 KGGB COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c(OC)c1 59922374 RSZXLFBSCQAOMP-OEAKJJBVSA-N 510.410 3.017 50 40 KGGB O=C(N/N=C/c1ccc(Cl)cc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 253579369 ZNWUHJBDAYAOQH-PVPASAESSA-N 581.503 3.208 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc1Br 408678473 FOUSTEXSGLCPQH-LFYJYPCRSA-N 607.093 3.017 50 40 KGGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc(OC(=O)c2cccs2)cc1 408685349 PDVUJUUOOZFHPE-PSWKNJSVSA-N 505.342 3.264 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408689834 SSANTCCEHYRZCR-GPXOXTDOSA-N 525.561 3.378 50 40 KGGB N#C/C(=C\c1cc(I)c(O)c(I)c1)C(=O)NCc1ccco1 408733863 BMZJORPZXMFBND-ONNFQVAWSA-N 520.064 3.418 50 40 KGGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408856055 AOMNFXQIQNJTRC-QICHVEDASA-N 623.669 3.069 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)c(O)c(OCC)c2)c(OC)c1 408957982 WTJQQURWAJWZAU-GLYJQWOCSA-N 652.442 3.124 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1O 408971484 GGZKGOJDFJVDSQ-LLXCYVELSA-N 553.397 3.374 50 40 KGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)cc(I)c2O)n1 409101412 BSFOBOUFLSLDMW-NGYBGAFCSA-N 521.178 3.409 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(Br)c(C)c1 409166630 FNGNDOBWEAIVHS-WBFLIZMFSA-N 673.302 3.134 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3ccc(OC)c(OC)c3)S(C)(=O)=O)o2)cc1 409185020 POBPLOGWCMCKFO-CVKSISIWSA-N 529.571 3.057 50 40 KGGB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)O[C@H](CCl)CNCc1ccccc1)c1ccccc1 4285719 ZUAJUCVCIVWSBY-SGNDLWITSA-N 539.968 3.463 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1Cl 408688216 WNUXEKYFBAVGDG-DQOWRFHUSA-N 583.060 3.253 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(C)n(CC#N)c3ccccc23)c(OC)c1 408956196 PUELDNPOQFRXFW-YSYVJNGDSA-N 558.595 3.202 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@@H]1c1ccccc1OC 2312458 AAPYCGNFECCVTL-VXKWHMMOSA-N 546.001 3.475 50 40 KGGB COc1c(I)cc(I)cc1/C=C(\C#N)c1n[nH]c(N)c1C#N 4067315 VNWRHVCTIDWUTG-KRXBUXKQSA-N 517.068 3.146 50 40 KGGB COc1cc(/C=N\NC(=O)CCCCCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 104224785 MAAVAHOGYPTIKK-PSUTYVDASA-N 544.605 3.289 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 408801526 UMRIQGDVOVAFDE-DBFSUHOCSA-N 574.377 3.107 50 40 KGGB CCOc1ccc(NC(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 408904420 JEFBKAJFFMZTBN-FBHDLOMBSA-N 513.288 3.318 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1OC 409115594 MWIPCTCGBRYFNQ-RDRPBHBLSA-N 571.652 3.113 50 40 KGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccc(C(C)(C)C)cc3)nc12 9003979 ABTPVSFLQYDKIJ-WORNYLJVSA-N 520.611 3.303 50 40 KGGB COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccc(Br)cc32)cc1 101049735 MWYGIWNCHKDUBL-OVIKXFGCSA-N 528.407 3.119 50 40 KGGB Cc1cc(Br)ccc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1 408644470 FZLBVTPOYWPJPZ-UHFFFAOYSA-N 541.196 3.243 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408680668 DOCBWMRNGQJZGD-YRPNKDGESA-N 533.364 3.383 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(C)(=O)=O)cc2)cc1 409025024 PKZHNMHLMHAWHB-JFLMPSFJSA-N 636.468 3.234 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)c(OC)c1OC 409117450 RDHPXVWPHSUAJR-CVKSISIWSA-N 507.584 3.325 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)Cc2ccccc2)cc1 409186056 VZIMJEVQAPARMS-JVWAILMASA-N 527.599 3.062 50 40 KGGB C#CCOc1c(I)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC 409372932 NZYFLGXQIKMKOM-XKZIYDEJSA-N 507.284 3.303 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1ccc(Br)c(Cl)c1 408681634 FQFYYVBJYZIEFG-JUYHGQFASA-N 538.609 3.050 50 40 KGGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(OC(=O)c2cccs2)cc1 408685350 PDVUJUUOOZFHPE-VTAJJLHNSA-N 505.342 3.264 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1OC 408766031 NZRHTALFDBWFPT-NZYROCMPSA-N 573.453 3.460 50 40 KGGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1 408998435 LWONZSWNWBJRHK-XDWZDTHNSA-N 550.406 3.473 50 40 KGGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1ccc(I)c(O)c1 409065157 GRMQZIPYMGMHRQ-UBKPWBPPSA-N 506.050 3.137 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409154006 JLWOYMWJWWFYGA-OCSSWDANSA-N 502.571 3.139 50 40 KGGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409156833 MBUROLGNNBFNHM-RPPGKUMJSA-N 503.397 3.368 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1c(C)cccc1C 409158613 UFHIXFXIOARHBE-IBBHUPRXSA-N 546.580 3.215 50 40 KGGB Cc1cc(C)c(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)c(C)c1 409266564 ZZYKCKKMKFSLPP-AMVVHIIESA-N 516.554 3.125 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816755 SFLKITIVAOVFNV-JVWAILMASA-N 527.599 3.375 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 59888938 JDSGSTULTLBNCB-LQKURTRISA-N 538.626 3.246 50 40 KGGB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)c2)cc1 102992910 WOECILHUSDYXTJ-UHFFFAOYSA-N 533.610 3.450 50 40 KGGB O=C(COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1)NC[C@H]1CCCO1 104680027 BXFOGQGXWXIVBV-UWCMXIFYSA-N 613.136 3.398 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1ccccc1C(F)(F)F)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408680177 DKWKOLKBPUKNMX-ZKRMKBECSA-N 596.194 3.354 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408683998 NZIXSNMMPREPJC-LFYJYPCRSA-N 607.093 3.017 50 40 KGGB COc1cc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(OC)c2)ccc1I 408747968 WIQZSPSTWYPHDM-ODCIPOBUSA-N 563.142 3.298 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc(Br)c1O 408826419 GOZDTAQMURQTOM-ZMOGYAJESA-N 563.386 3.417 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccc(OC)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409320756 DYVWKDUXQJXAGC-SFTDATJTSA-N 544.427 3.245 50 40 KGGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1cccc(OC)c1OC)Cc1ccccc1 409368138 TZOOWZLWTTUHBJ-YUMHPJSZSA-N 511.600 3.362 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OCC)c1 1529548753 NFTLWCPZXMNAHD-STNFJLQYSA-N 619.096 3.176 50 40 KGGB COC(=O)C1=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2C(N)=C(C#N)[C@H]1c1c(F)cccc1Cl 2056679 BLVOORGUPGKDLV-KZRVJCNKSA-N 520.344 3.096 50 40 KGGB COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 98086274 VAPHGVJAVUFTGU-ONNFQVAWSA-N 510.200 3.301 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1OC 101006939 ZQKKOBKERFYWQC-PGMHBOJBSA-N 549.696 3.475 50 40 KGGB CCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 408608601 HUKUUOSBBXFPAR-RPPGKUMJSA-N 519.396 3.068 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccc(Br)cc3)s2)ccc1O 408731718 PICMJULEKFIKDS-UFFVCSGVSA-N 505.354 3.352 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 409255928 MEYSOBVHGMTZHU-OKCVXOCRSA-N 518.570 3.105 50 40 KGGB CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1cc(OC)ccc1O 667492 AVAXUEHGAVHTHC-BHGWPJFGSA-N 566.425 3.471 50 40 KGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(OC(F)(F)F)cc2)c1 3304064 KTAKBXWDMWTEEO-UHFFFAOYSA-N 509.462 3.469 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1Cl 58881810 PVESGXUHYVOXLN-MUFRIFMGSA-N 508.962 3.175 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 408832674 YMBBQANXNQGWRC-LQKURTRISA-N 538.626 3.246 50 40 KGGB C#CCOc1cc(Br)c(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408954777 ZRKGPADKEOIXPS-RUZDIDTESA-N 615.506 3.355 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1C 409261445 BYJFCJOURZCODL-MUFRIFMGSA-N 512.607 3.101 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3C)NC(=O)[C@H]2C(=O)OC)cc1 409317188 SIKBUWAUCBQEOH-VXKWHMMOSA-N 507.568 3.200 50 40 KGGB CCOC(=O)[C@H](Cc1ccc(OC(=O)CBr)cc1)NC(=O)COC(=O)CCc1ccc(OC(=O)CBr)cc1 2060989302 WMWLOTFGURGSGY-NRFANRHFSA-N 657.308 3.054 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(OCc3ccc(F)cc3)c2)c1CN1CCc2ccccc21 1272651 SWVLKVWJECPAJG-IBBHUPRXSA-N 553.558 3.277 50 40 KGGB Cc1ccc(-c2c(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3Cl)nnn2-c2nonc2N)cc1 2393637 ZMHIJYGZMUGNES-RPPGKUMJSA-N 502.926 3.119 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)S(C)(=O)=O)c(OC)c1 20210892 BBBRKBHJLGFXKH-MTDXEUNCSA-N 524.599 3.263 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408681522 FMFTWESCJQQEBG-MQYQWHSLSA-N 595.082 3.161 50 40 KGGB COc1ccc(CC(=O)Oc2ccc(C(=O)COC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)cc1 408684727 NUZWUQCJGOUJOM-PIOOAKDLSA-N 543.366 3.140 50 40 KGGB COc1cc(I)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O 408750093 KJUBVRWFXRLWEZ-ZVHZXABRSA-N 502.308 3.392 50 40 KGGB COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cc(Br)ccc3OC)CC2)c1 409006148 MUEHJNXNBGFOAI-AFUMVMLFSA-N 504.381 3.477 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(C(=O)OCC(=O)Nc3ccc(C)cc3)cc2)c(=O)c1C#N 409205249 ARQCPHYBXSXLHL-IURWMYGYSA-N 608.449 3.192 50 40 KGGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(I)c1OCC(=O)O 409236983 UDQNGCOSTWHSRS-YVLHZVERSA-N 520.323 3.419 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(C)=O 409386128 LGQZFZOYGCRJRZ-UIOOFZCWSA-N 721.455 3.158 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC#N)c(OC)c1 1529548033 WESGXATXKFISGO-GPYFUORASA-N 572.043 3.136 50 40 KGGB NC(=O)NN=C1c2cc(S(=O)(=O)NCc3ccccc3)ccc2-c2ccc(S(=O)(=O)NCc3ccccc3)cc21 1956083 JYYWTVCEHYRCIT-UHFFFAOYSA-N 575.672 3.045 50 40 KGGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1 36000003 RKGIAHMALHYWCI-TURZUDJPSA-N 506.628 3.031 50 40 KGGB CN(CCNC(=O)CCl)c1ccc2c(-c3ccccc3C(=O)O)c3cc/c(=[N+](/C)CCNC(=O)CCl)cc-3oc2c1 97949917 JDTQHZQCFZUJIV-UHFFFAOYSA-O 598.507 3.451 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 103896112 RALUNTJRBPERID-OGLMXYFKSA-N 539.610 3.291 50 40 KGGB O=C(COc1cccc2cccnc12)N/N=C/c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 408762083 JAOVQQLKDLJUPL-CVKSISIWSA-N 506.496 3.440 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)Cc2ccccc2)cc1 409119276 SLQZHXQMMMIHQF-JVWAILMASA-N 527.599 3.062 50 40 KGGB Cc1ccc(CN(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(Br)cc2)cc1 409144630 LLQQGTBNWLKIOI-AFUMVMLFSA-N 501.406 3.494 50 40 KGGB N#C/C(=C/c1cc(I)cc(I)c1OCc1ccccc1C#N)C(=O)NC(N)=O 409235956 DMHRSLGICVUKCN-RZNTYIFUSA-N 598.138 3.448 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 409369906 HHJZNKQZHJNYAW-NSOVKSMOSA-N 655.616 3.253 50 40 KGGB O=C(C[C@@H]1SC(=O)NC1=O)NNC(=O)Cn1c2c(sc1=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 101261989 FEMXHYOTOSALFU-HUDCZTKKSA-N 579.125 3.105 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408691122 YIFSSJWQADIQCY-RDGPPVDQSA-N 597.249 3.181 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)cc1 408837786 NPFWWRGZUIFBJS-JFLMPSFJSA-N 546.001 3.246 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)cc1OCC 408906127 HKSZLRDIBFKVQZ-IYAOEYEUSA-N 611.433 3.439 50 40 KGGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)N1CCOCC1 2418201 IUERFYVBIGIYME-NKFKGCMQSA-N 531.638 3.480 50 40 KGGB O=C(N/N=C/c1cccnc1)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C/c3cccnc3)cc2)cc1 97984927 ZMJNMKFBSMIDNC-RPCRVLONSA-N 566.574 3.161 50 40 KGGB C#CCOc1cc(Br)c(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529548261 ZRKGPADKEOIXPS-KIQFVGOMSA-N 615.506 3.355 50 40 KGGB O=CO[C@H]1CC[C@H]2[C@H]1[C@@H]1[C@H](I)[C@@H]3[C@@H]4CC[C@@H](OC=O)[C@H]4[C@H]4[C@H](I)[C@@H]2[C@H]1[C@@H]43 104288724 LCLDSJBXBBUOHJ-FMBYRDAJSA-N 582.216 3.481 50 40 KGGB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)c1 408682372 GENVJGYRWKNXOE-BDACHGGBSA-N 517.365 3.461 50 40 KGGB O=C(N/N=C/c1ccccc1OCc1ccccc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408864482 WIIXVYKHFNENTQ-RZYVVUTRSA-N 618.737 3.480 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)cc2OC)c(OC)c1 408956301 QMQGRZIGYLNJMQ-RLONDSQRSA-N 605.442 3.195 50 40 KGGB O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O)c1ccccc1O 101027820 VQOSXJQPGVFJFF-DIBXZPPDSA-N 526.368 3.348 50 40 KGGB CNc1c(I)cc(/C=N/NC(=O)c2ccc(O)cc2)cc1I 408744088 YQIDDBGMOVKPRZ-UFWORHAWSA-N 521.096 3.407 50 40 KGGB COC(=O)COc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408795130 LDIMGCPUGXVQBO-NTUHNPAUSA-N 508.268 3.103 50 40 KGGB C[N+](C)(C)CC(=O)N/N=C(/C(=O)NC1=C(Cl)C(=O)c2ccccc2C1=O)[C@H](C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 5810121 CQDNLYBHXVFQAX-IBGZPJMESA-O 621.055 3.150 50 40 KGGB CCN(CC)c1ccc(/C=N/NC(=O)COc2nc(C)c(Br)c(COC)c2C#N)c(O)c1 15018649 NGEAUTJYVXCRSE-OPEKNORGSA-N 504.385 3.252 50 40 KGGB COc1cc(/C=N/NC(=O)CCCCCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 101133567 MAAVAHOGYPTIKK-LPHFKDDMSA-N 544.605 3.289 50 40 KGGB O=C(CN1CCOCC1)N/N=C/c1cc(I)cc(I)c1OCc1ccccc1 103865020 IREYQDPBMLJGKQ-FSJBWODESA-N 605.214 3.257 50 40 KGGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1cccc2ccccc12 408534876 MTLYDHSPHDZNHV-SZMVHAFZSA-N 526.290 3.059 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cccc2ccccc12 408684048 JHVWIEOFDHYTEH-QEQKNVQMSA-N 578.257 3.490 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408690546 VVADPJFIZOGZNR-JDLKNYJJSA-N 607.093 3.097 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(I)c1OCC(N)=O 408800970 QNLUQXVVHDSBKD-ZTNIANCHSA-N 511.360 3.156 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C 409167023 GZJILDLCFHMVDJ-KIBLKLHPSA-N 584.798 3.008 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OC 409184763 NASDDSCIZRFLNE-NEDSSLFVSA-N 677.599 3.237 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409265086 MOORMCGEIJCHJX-MUFRIFMGSA-N 512.607 3.101 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Br)c1OCCOc1ccccc1C 2307369 YGIYCGMLNOBUPH-WYMPLXKRSA-N 520.409 3.350 50 40 KGGB COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)c(OC)c2)cc1OC 100038232 RWNYQAQGAWYLDA-IPPBACCNSA-N 617.396 3.416 50 40 KGGB CCCOc1c(I)cc(I)cc1/C=C(\C#N)c1nn(CCO)c(N)c1C#N 100183645 FPFFSBKBQPCZAZ-WUXMJOGZSA-N 589.175 3.391 50 40 KGGB CCOC(=O)C1=c2s/c(=C/c3ccccc3Br)c(=O)n2[C@@H](c2ccccc2Br)C(C#N)=C1N 101671119 LLKDJQISMTYXQI-DGKKPVBHSA-N 587.293 3.317 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O 408768571 HFYWSSCYODFSOZ-JVWAILMASA-N 540.598 3.104 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)Cc2ccccc2)cc1 408818568 XFWNYKNJZRVLCE-FDAWAROLSA-N 637.740 3.366 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc(F)cc1 409158156 WSXCNDJHLBLGHL-XKJRVUDJSA-N 571.359 3.101 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)cc1 409252106 SNSTVLMUDWZORO-OKCVXOCRSA-N 518.570 3.105 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)c(OC)c1 408686636 NIQLJFHJXLCVNH-CDEZGAEXSA-N 547.391 3.469 50 40 KGGB COCc1cc(C)n(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c(=O)c1C#N 409064359 PBWOVLVGHRGSCQ-PPDIBHTLSA-N 510.392 3.495 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409232810 RZZWWLVCVIDYSW-QPEQYQDCSA-N 505.300 3.106 50 40 KGGB COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3/C=C(\C#N)C(=O)NCc3ccco3)CC2)cc1 2200089 UJQVHPXXMOCEKU-HEHNFIMWSA-N 524.581 3.155 50 40 KGGB O=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 4277081 LXQDBZIVMSEYBR-YWEHKCAJSA-N 512.587 3.415 50 40 KGGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(Br)cc1 97970138 XAIWTHWYNGDMHB-HZHRSRAPSA-N 558.296 3.058 50 40 KGGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccncc3)o2)cc1 408875920 HXDWFJQQAMQGBJ-MNBJERMJSA-N 545.621 3.141 50 40 KGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OCC 409000444 WMZHZBFYUWZXMK-JQMVSIKFSA-N 523.977 3.462 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1cccc(C(F)(F)F)c1 409169489 QBKBHFWBFHSLIJ-IURWMYGYSA-N 542.470 3.218 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(OC)c1 659898 YWKLENQHKPYPQM-GDWXBDPWSA-N 521.357 3.332 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(Br)o2)c(OC)c1 8384561 LTHZCTZEWBCSAP-NDOYDTAPSA-N 600.220 3.143 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Br)c1OCC(N)=O 409001591 JHGSGOUKAMGAET-POGXFMHGSA-N 593.475 3.272 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409156051 KEIWRKCCBOSVHW-VVEOGCPPSA-N 552.971 3.170 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 8384477 DCNYJQQTQOPWEI-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c(C#N)c1C 408547494 YEBVLBYSLOBXSX-WQRHYEAKSA-N 507.572 3.484 50 40 KGGB COc1cc(OC)c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 408874093 YMNPILQTLFLFHH-UXHMZNKVSA-N 530.828 3.423 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)cc1OCC 408942066 FKDQESCVJVYURX-VWLOTQADSA-N 540.642 3.369 50 40 KGGB Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCC(C)C)c1 409155846 DJMGBMKDMVSRHS-RPPGKUMJSA-N 503.397 3.306 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409172901 GLPMKHGFHUIHEL-HBPDMVEESA-N 537.400 3.155 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 409379053 UTGUNIHNBFXSES-RPBOFIJWSA-N 589.601 3.195 50 40 KGGB COc1ccc(C(=O)NNC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)cc1 1326693 OJHODESNGXAKDS-KXBFYZLASA-N 503.437 3.356 50 40 KGGB O=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](NC(=O)Cc3ccccc3)[C@H]2SC1 2570357 LXQDBZIVMSEYBR-RBJSKKJNSA-N 512.587 3.415 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)ccc1O 19951727 VKGWGLBGAOUSJA-AFUMVMLFSA-N 503.964 3.408 50 40 KGGB O=C(NN1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccccc1[N+](=O)[O-] 408638839 TWMVLVKTUBONJQ-KDOFPFPSSA-N 508.314 3.165 50 40 KGGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)OCc1ccccc1 408991641 QUFGMZQZQRFDHI-HDNNTFNPSA-N 501.499 3.356 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409026801 YSKDFWJODZDWKQ-WGOQTCKBSA-N 542.570 3.356 50 40 KGGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3C(F)(F)F)nnn2-c2nonc2N)cc1 2365610 NGSPZOWHBZRMBI-KKMKTNMSSA-N 500.441 3.471 50 40 KGGB Cc1nc(C(N)=S)sc1/C(CC(=O)C(=O)Nc1cccc2ccc(O)cc12)=N/NC(=O)c1ccncc1 5838130 PINIBNOVSFLMEK-NDZAJKAJSA-N 532.607 3.072 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NNC(=O)c2ccccc2)cc1 6924818 GDRQBNXHKOCMCT-MHZLTWQESA-N 552.587 3.455 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c(C)c1 28213134 WNIJOQKEUQWHOL-JVWAILMASA-N 508.600 3.237 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 100777611 GJLHYGAHXVIOTM-HLNSNWHSSA-N 616.708 3.226 50 40 KGGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)c1 408536385 RETZTQKLNKUYIZ-WWTGGXICSA-N 501.474 3.001 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408691121 YIFSSJWQADIQCY-MKXGPGLRSA-N 597.249 3.181 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1)c1cccc(Br)c1 408866868 JRSASNUMORCDTQ-STBIYBPSSA-N 587.496 3.103 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OCC#N)c(OC)c1 408958180 XOCUGSHYLOHXEB-IYFBGLROSA-N 630.452 3.089 50 40 KGGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cn3c(C)cc(COC)c(C#N)c3=O)o2)ccc1Cl 409198706 JZWJXOCCQFJBHV-KVSWJAHQSA-N 510.934 3.415 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409259718 DETZDXQIDVUSFY-LUOAPIJWSA-N 519.341 3.379 50 40 KGGB COc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 409379773 ZSAPJJZLCYHTJU-LOYHVIPDSA-N 669.643 3.182 50 40 KGGB COc1cc(Br)c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 633406 CHKJBEXDMDJNPG-FZJZADEZSA-N 530.828 3.423 50 40 KGGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CCCCC1 2416750 AESOWPVRWLRJOR-PTGBLXJZSA-N 531.638 3.480 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)ccc1OC 408726334 LODMTJLJHIZWIO-PCLIKHOPSA-N 512.544 3.348 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408861462 AWELPXJVPVUNCE-OGLMXYFKSA-N 522.583 3.260 50 40 KGGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)OCc1ccccc1 408985406 ASTRGEKAPVJXSZ-IZHXIWSZSA-N 515.324 3.068 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C 409157243 PJZJOKWFIHDIMV-DDAUNIGFSA-N 581.851 3.182 50 40 KGGB CCOc1cc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)ccc1OCC(=O)N1CCOCC1 409167660 JDQSSXNGQCDHFI-OGLMXYFKSA-N 575.460 3.345 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)cc1OC 409171239 YYBOXNHODICHJS-OKCVXOCRSA-N 538.988 3.184 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 409322372 JRGFTUHGHQSPHH-FGZHOGPDSA-N 574.453 3.254 50 40 KGGB CC(C)C[C@@H](NC(=O)CCCNC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3)C(=O)O 102817204 UKEGJFCNVSBHRO-NHZDYTACSA-N 582.691 3.030 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408688583 QZGWYHMBKKSNQN-WITHRNOMSA-N 621.120 3.407 50 40 KGGB C#CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 408944144 IMAGFZHZGUZWQS-QHCPKHFHSA-N 630.477 3.254 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OC(C)=O)cc2Br)c(OC)c1 408950157 GMVSEDLAYHJGJI-JOOOUNGUSA-N 633.452 3.112 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1c(C)n(C)c2ccccc12 1529547855 PYUBLEKHDOKFCP-CKWAUKHYSA-N 519.627 3.372 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 70696965 TVNRJHJCDOMWKB-QSJYNCICSA-N 531.602 3.330 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc(C)c1Br 408686922 NVYXZGYNODNNBL-KBXIAJHMSA-N 609.109 3.470 50 40 KGGB COc1cc(C(=O)N/N=C/c2cc(I)cc(OC)c2O)ccc1I 408746484 DPCPNBZPCZOYTH-UFWORHAWSA-N 552.106 3.383 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408773251 QCXBSVWAXPQNGM-CVKSISIWSA-N 542.570 3.275 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OCC 408999209 PXKVVAHGDWNFPD-KEERKELESA-N 663.469 3.343 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1Cl)Nc1cccc(C(F)(F)F)c1 409268270 RULXRZNQBOHHPD-HBPGSIQZSA-N 526.899 3.122 50 40 KGGB C[C@@H](Sc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)s1)C(=O)N/N=C/c1ccc2c(c1)OCO2 100953327 JQCIKJJLHFINRL-JYXLLNPISA-N 586.677 3.257 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408880233 FLFDDFGIXIHUSW-MWVBGNBESA-N 624.716 3.032 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Br)s2)c(OC)c1 408958246 XZNXIQFVGXJYMT-MVRBIIFYSA-N 551.419 3.239 50 40 KGGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(Br)cc(I)c1O)OCc1ccccc1 408992981 VIIFWTAOIAUMMT-YLUJQFKGSA-N 612.222 3.470 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409265204 SWOZZIMFCRSZGM-CCVNUDIWSA-N 518.998 3.056 50 40 KGGB COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1OC 409373285 SVRXXDLJXBSMIX-YUMHPJSZSA-N 511.600 3.362 50 40 KGGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)N1CCOCC1 9261770 TYRIMSHIYDGUGF-WOJGMQOQSA-N 518.307 3.334 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59435495 RDQALJMLWMUOOP-WPWMEQJKSA-N 511.600 3.444 50 40 KGGB COC(=O)COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100284631 WEGQPWLXHFQJKQ-DICXZTSXSA-N 574.453 3.342 50 40 KGGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)N3CCCC3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 408823419 FGHDITSEFPTQMN-QRQIAZFYSA-N 522.627 3.360 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(Cl)cc2)cc1 408871836 XXBARUOALIPIKB-UXHLAJHPSA-N 585.082 3.232 50 40 KGGB CCOC(=O)COc1cc(Br)c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408952737 WSPXNEMDQLIBGH-SANMLTNESA-N 663.547 3.285 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(OCC)c2)c(OC)c1 408955199 OGKNORFWTMEDRN-JCJXWKAISA-N 677.505 3.128 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cccc(Cl)c1 409257344 QFLFNDSHRJUHHP-DDFZXGMKSA-N 509.788 3.485 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1c(C)n(CC#N)c2ccccc12 1529549168 UFYGKWWIESDHDE-GRXZTXSZSA-N 544.637 3.358 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)cc1 6924815 PFUYWYOCCAMWHW-NDEPHWFRSA-N 626.666 3.402 50 40 KGGB COc1c2c(cc3c1[C@H](c1nnnn1-c1ccc(C(=O)N/N=C/c4ccc(Cl)cc4)cc1)N(C)CC3)OCO2 70670138 QPCSDHHWGLFBHP-MIXYLYFISA-N 545.987 3.394 50 40 KGGB biogenic COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 102972826 NMOOTCAFRSHWSQ-UHFFFAOYSA-N 545.517 3.018 50 40 KGGB CCCCOc1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 105584749 YDRWIKHHRLRRIF-AODCUUCTSA-N 584.720 3.080 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409152966 GUGSWHUREJABEC-POGXFMHGSA-N 622.460 3.070 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1 409165540 ZGAYJTSQBPKKPX-OBPDLJBASA-N 586.814 3.336 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1OC 409251120 OLMNLYOAKJFXIG-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NC[C@H]3CCCO3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409331044 CEXNOFKKSMMKLE-UPRAQXHNSA-N 542.441 3.158 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 59857159 AJPRILSSLYNHOV-WGOQTCKBSA-N 542.570 3.356 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 97964162 QCGLENBMBFHYPK-AMVVHIIESA-N 538.523 3.113 50 40 KGGB C[C@@H](C(=O)Nc1ccc(I)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 102239553 HEQHKAOHQZEJFX-ONUGARHQSA-N 596.057 3.396 50 40 KGGB COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc(OC)c1OC 102930652 WAQVKTJYCSPSTL-UHFFFAOYSA-N 539.541 3.065 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)c1 408773421 RBLAATFMRLGIJE-CVKSISIWSA-N 511.556 3.056 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1OC 408780857 MCHBLKCBGPOWPD-TWKHWXDSSA-N 577.663 3.237 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1 408827763 GXMKYDQLXKQXPG-CVKSISIWSA-N 542.570 3.275 50 40 KGGB CCOC(=O)C1=c2s/c(=C\c3ccc(Br)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(Br)cc1 1874045 TXAXKSVRPNHHRV-ZYNFKGNASA-N 587.293 3.426 50 40 KGGB O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc(O)cc1 13615001 ZXSNDMANRIXIKJ-REZTVBANSA-N 508.053 3.071 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 105651648 RMINNOAXOYHNCQ-ZVHZXABRSA-N 527.515 3.166 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc(Br)c1O 408865231 BTQZFIGMVCTQII-MUFRIFMGSA-N 628.505 3.307 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(Br)c3)o2)cc1C 408875283 IQBDXBRUFVDRBQ-WKIKZPBSSA-N 540.374 3.003 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OCC)c([N+](=O)[O-])c2)c(OC)c1 408954926 NRWYNZJLTQIIDP-JTCJDYCESA-N 634.440 3.485 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)ccc1OCC(=O)OC 408973759 UVIKKVBDFFUJRT-KZJCWCHPSA-N 513.591 3.006 50 40 KGGB COc1cc(C(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)ccc1I 409376861 DNLUUHFILMQPMG-MSXFZWOLSA-N 602.223 3.064 50 40 KGGB CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)C1 9075418 ALOHHNXETVUIKI-HFGSDPQMSA-N 513.598 3.048 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)c2ccc(C)cc2)cc1OC 14165701 CUIUHXWLGMQEBH-OGLMXYFKSA-N 522.583 3.260 50 40 KGGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21 102278235 ZPZUINOJLBLFAL-NUJZUDFISA-N 558.006 3.097 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(C)cc2)cc1OC 103897595 QATOZPUGAZBHDK-MWVBGNBESA-N 624.716 3.032 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Br)c1OCC(=O)Nc1ccccc1Cl 408610948 PCGDOZJEVVXCCK-KBKYJPHKSA-N 539.814 3.351 50 40 KGGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)c1 408783839 NQLMLLDEOJAMGN-MSXFZWOLSA-N 533.404 3.226 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409150415 BUINCAFZXFVYEN-SQTKOIFASA-N 556.925 3.130 50 40 KGGB CCOc1ccccc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 59443913 URZVZEUWEARJHH-TURZUDJPSA-N 525.627 3.486 50 40 KGGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1ccccn1 59444630 LDYJCCYTEFWCME-PCLIKHOPSA-N 501.406 3.228 50 40 KGGB COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 138578294 CDYZWUYITINRIW-KRWDZBQOSA-N 537.956 3.498 50 40 KGGB COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1=O 408537272 UVXWQLIRSXVXBQ-WWTGGXICSA-N 533.928 3.216 50 40 KGGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408874842 BKSPTHPKUSRJMV-ULPWCQAASA-N 550.786 3.261 50 40 KGGB C#CCn1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 408939475 AXLYLJHUZQDVTN-AREMUKBSSA-N 529.622 3.160 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3ccc(OC)cc3OC)C(C#N)=C(N)N2C1=O 3770120 ZMGQMGBYOAIFLO-RBBKRZOGSA-N 534.594 3.161 50 40 KGGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 100777604 GJLHYGAHXVIOTM-OTFUSVFOSA-N 616.708 3.226 50 40 KGGB COc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)c2ccc(Cl)cc2Cl)cc1 103761521 UXOQSRICJKIRAH-UHFFFAOYSA-N 540.406 3.487 50 40 KGGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=O)c1cc(S(=O)(=O)NCCCN2CCCC2=O)ccc1Cl 150452691 RRQSCLRJZUCWCO-UHFFFAOYSA-N 668.201 3.432 50 40 KGGB O=C(CNC(=O)c1ccco1)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccco1 3085755 SVKVRLIONDBPNT-NUGSKGIGSA-N 539.136 3.497 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)c(C)c3)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770026 GFORCXQTDKRNDR-IRLDBZIGSA-N 518.595 3.461 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(CN4CCOCC4)cc3)cc2)cc1 28214701 DCPUQDJTWKGFFY-RDRPBHBLSA-N 502.571 3.309 50 40 KGGB CCCCNS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)NCCCC)cc1[N+](=O)[O-])C2=C(C#N)C#N 101192674 APXNOCGZIZOJJW-UHFFFAOYSA-N 588.624 3.489 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 409164908 PMGMMCKLXRIQEL-OCSSWDANSA-N 502.571 3.486 50 40 KGGB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 409378038 MTKYLTJBWBIPMF-UXHICEINSA-N 545.331 3.290 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)OC)c(I)c1 1529547272 JZJVMXQRCFZCDN-HTRGEFSHSA-N 745.390 3.491 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 211033734 XEKZBNNGZPSTKN-PCLIKHOPSA-N 557.541 3.256 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cccc2ccccc12 408677681 DYCAMTBPEJTPIL-IUOSPEFCSA-N 564.230 3.099 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409159969 ONQOUYCLHJHFAF-FJEPWZHXSA-N 630.439 3.401 50 40 KGGB CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548218 BCFMMEJHQHDRBY-CXYKTUMRSA-N 633.521 3.276 50 40 KGGB O=P(NCCO)(OC[C@H](Br)CBr)OC[C@H](Br)CBr 1762664 VJTSWFWOTCORGI-HTQZYQBOSA-N 540.809 3.026 50 40 KGGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(I)c2)cc1 408793852 QKYAFOSSXTYYAU-OQLLNIDSSA-N 520.279 3.477 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2sccc2Br)c(OC)c1 408958191 XQNSHJHACUWCNV-MVRBIIFYSA-N 551.419 3.239 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)c1 409112721 CBWXWLATCAJGJC-CVKSISIWSA-N 607.426 3.189 50 40 KGGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCCC(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 8400020 QOHDGKUSOWJVOG-UHFFFAOYSA-N 540.661 3.205 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(C)cc2)C(C)C)cc1 13633710 UFRSOIXASORVBM-XMMPIXPASA-N 502.571 3.472 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c1C 408690814 WVIOGWYRDMJEGN-NEBZKDRISA-N 609.109 3.470 50 40 KGGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 408777804 JFNOZSRYCWZFKU-MYKKPKGFSA-N 509.371 3.462 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(I)c1OCC(N)=O 408800967 QNLUQXVVHDSBKD-KTHCSPGMSA-N 511.360 3.156 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408858090 JKVMMXZKTZRQJJ-JVWAILMASA-N 509.584 3.201 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C 409163257 OLJAVTGXHSEOOW-KIBLKLHPSA-N 537.798 3.166 50 40 KGGB CCCNC(=O)CSC1=C(C#N)[C@@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1 409321927 JWLYBBCNNVVABR-SJORKVTESA-N 500.404 3.389 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)cc1Cl 408843284 SISDRPOFEPCGRR-RWPZCVJISA-N 575.043 3.291 50 40 KGGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(I)cc(I)c1O)OCc1ccccc1 408987174 DXTLUDKQLZVZRO-TXIUCGALSA-N 659.222 3.312 50 40 KGGB C#CCOc1c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Br)cc1OC 409002099 MDBCNNCFXLPNBO-KMWLTISVSA-N 554.401 3.181 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)cc1OC 409117851 OWENJEGQTKVDAY-TURZUDJPSA-N 525.627 3.486 50 40 KGGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3C)cc2OC)c1 409151729 ISDIAQGEVCFEFE-RWPZCVJISA-N 504.543 3.427 50 40 KGGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)cc1 409160506 QOPMAPDEXZMXJG-STBIYBPSSA-N 605.486 3.353 50 40 KGGB N#C/C(=C\c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)NCCc1ccccc1 2207534 BFSKSTWIXCRZHW-DARPEHSRSA-N 504.594 3.287 50 40 KGGB CCOc1ccccc1/C=N/NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 59443874 XKIIASUWYLSJQE-WPWMEQJKSA-N 511.600 3.444 50 40 KGGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\C(Br)=C\c1ccccc1 97965368 OFBBQRCZAJYEPG-TXHKSUSMSA-N 570.307 3.293 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1Br 100251907 PHXVAOWVZAVLFW-SRZZPIQSSA-N 532.258 3.194 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cc(C)cc(C)c2)cc1 103898838 BFOVVDGWCNDEAU-ZCTHSVRISA-N 578.691 3.195 50 40 KGGB O=CO[C@H]1CC[C@@H]2[C@H]1[C@H]1[C@H](I)[C@H]3[C@H]4CC[C@H](OC=O)[C@@H]4[C@@H]4[C@H](I)[C@H]2[C@H]1[C@H]34 104288727 LCLDSJBXBBUOHJ-OEBCMRQESA-N 582.216 3.481 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Br)c1OCC(N)=O 409226472 SYHNSEBEAYPHDD-OVCLIPMQSA-N 502.321 3.044 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1c(C)cccc1C 409252318 DCRSXDGPAZBKMO-KBVAKVRCSA-N 532.597 3.495 50 40 KGGB C#CCOc1c(I)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OC 409312579 LWVBSHUXFOMNKF-QRVIBDJDSA-N 508.312 3.483 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC#N)c(OC)c1 1529548044 WHZXLSCBPOEQQC-GPYFUORASA-N 663.494 3.087 50 40 KGGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c1 13137859 WNYZHZRGMMVWDO-UHFFFAOYSA-N 502.420 3.385 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1OC 15231316 SXVZLRZEPNFZGZ-FSJBWODESA-N 514.373 3.078 50 40 KGGB C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 97980865 SVOFTBSRRJERGF-JJIBRWJFSA-N 532.669 3.487 50 40 KGGB CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1 98048546 RCWKVOIXEVFEHV-RUZDIDTESA-N 563.661 3.311 50 40 KGGB Cc1ccc(C)c(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 101233523 ITPAVPAATFBDRV-LELKIVJGSA-N 541.236 3.196 50 40 KGGB CC(C)c1ccc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1 105584679 MSXQSIDJFPIGCZ-UIZNLQPJSA-N 554.694 3.024 50 40 KGGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408536884 SZOCBUVHWCQWCA-AGDICETMSA-N 521.961 3.191 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OC)c(OCC)c2)c(OC)c1 408958233 XYIIOEQCSOFNBQ-FNMFPPKFSA-N 575.018 3.476 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770092 WHKWPZXBVUJWLV-PZJWPPBQSA-N 504.568 3.152 50 40 KGGB COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C(\C#N)S(=O)(=O)c3ccccc3)CC2)cc1 38140416 UXAKYCAHHNSUGM-LYBHJNIJSA-N 527.606 3.368 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408765338 XUZMPJGUAAZBAB-YABZZONLSA-N 604.663 3.133 50 40 KGGB COc1ccc(CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(Br)cc3)o2)cc1OC 408780340 BBVJOPHTTWWDQP-ZMOGYAJESA-N 536.404 3.231 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccccc2)cc1 408926575 UTAXYGXLYSEJNI-RDRPBHBLSA-N 552.653 3.334 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409157126 UTSZQPIHCJFNLZ-KKMKTNMSSA-N 592.434 3.361 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 59247047 DQXKBVQUVKGFOT-CFRMEGHHSA-N 521.368 3.117 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(I)c1OCC(=O)O 408676925 NQMYTNOYMJCSQW-FSJBWODESA-N 523.327 3.127 50 40 KGGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(I)c1OCC(=O)O 408817466 VSNRMGXACKDEJE-CXUHLZMHSA-N 506.296 3.029 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1OC 408862206 XOUCLFRBKLLPEB-AJBULDERSA-N 589.674 3.403 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)Cc2ccccc2)cc1OC 408875457 FUDGUXHBAMJMNT-ALQBTCKLSA-N 647.710 3.201 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)O)c(Cl)c1 408952041 VANLMXHAMJTQTB-QFIPXVFZSA-N 595.461 3.342 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)Cc2ccc(Br)cc2)cc1 409013240 MQPAQMQTHUZZLO-AFUMVMLFSA-N 501.406 3.494 50 40 KGGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2OCC)cc1 409155788 NFLHJTJJBCMAMX-HNSNBQBZSA-N 592.649 3.328 50 40 KGGB O=C(O)COc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1I 409372524 LNDLAZTXTNBKBM-ZBKNUEDVSA-N 562.114 3.118 50 40 KGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(I)cc(I)c1O 100186432 ZRBZJKYENNGAJV-QGMBQPNBSA-N 551.078 3.202 50 40 KGGB CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 102998860 YMSVZTVZSXUPHZ-QFIPXVFZSA-N 583.063 3.044 50 40 KGGB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1CCSS1 247956788 NTUJKFCBMVRCFR-HKQJZWTQSA-N 634.931 3.489 50 40 KGGB in-vitro CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 409251575 AKEKGKQUWZOSCY-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCC(=O)NCc1ccccc1 409253600 XHHKYSDVFDQGFQ-OCSSWDANSA-N 502.571 3.486 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC#N)c(OCC)c1 1529548362 DSZWTYOGDRGXLC-JFMMFFJDSA-N 677.521 3.477 50 40 KGGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C\c1ccco1 97966329 XBAPCGRCXAPLRB-DWESNANQSA-N 554.353 3.067 50 40 KGGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408678130 CPGDDCLQYPMJTR-YBZCJVABSA-N 544.310 3.111 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C(C)C)cc1 408753222 FMNJOKWSWLKPIG-NHVVDLMHSA-N 574.637 3.124 50 40 KGGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1cccc(OC)c1 705390 XTNDHLFXVTZZAL-LFVJCYFKSA-N 505.618 3.079 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 19816759 GBBVVOXDUJEWFO-JVWAILMASA-N 527.599 3.375 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 28214708 SINAIYNPLBMXHV-RDRPBHBLSA-N 502.571 3.309 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1OCCOCCOc1ccc(C)c(C)c1 33928599 UNPFKIOBRKDGFZ-JVWAILMASA-N 513.620 3.303 50 40 KGGB COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1OC 100029370 QSXPXQXJJASFEG-LGJNPRDNSA-N 523.458 3.193 50 40 KGGB COc1cc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c(Br)c(Br)c1O 100328351 VIVXPBGBEIQRCR-FINSYCMTSA-N 565.182 3.058 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408685605 LUJCVBVBWRPMOZ-JXYJOFSCSA-N 609.260 3.037 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408688001 VVSLOOCYLOAGMD-YZEAIEHJSA-N 570.278 3.071 50 40 KGGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408837953 PUTQFVXAUXWEQD-ZRGSRPPYSA-N 523.347 3.017 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 408865742 DWXOPDCQFWDLJJ-JFLMPSFJSA-N 546.001 3.246 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OC 408875523 JRMWJIJRFCQBBG-FZJZADEZSA-N 577.828 3.265 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)cc1OC 408948883 PYFWYIOWKXDGRI-SANMLTNESA-N 553.685 3.426 50 40 KGGB CN1C(=O)/C(=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)c2ccccc21 409331193 MOAGRFONEFVFOD-XTCLZLMSSA-N 527.400 3.141 50 40 KGGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 100147067 HPQZDQHLOYPWFP-MNBJERMJSA-N 560.632 3.316 50 40 KGGB Nc1nc(SCC(=O)NNC(=O)COc2ccc(Br)cc2)nc2sc3c(c12)CCCC3 103064751 BRHIQTXMYZKWQB-UHFFFAOYSA-N 522.450 3.233 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(I)c1OCC(=O)O 409003897 VVHFJMMWTQYWDR-PXGAOIJESA-N 763.348 3.408 50 40 KGGB COc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCC(=O)N1CCOCC1 409014323 XGRNIWVEHNIQEE-MIXAMLLLSA-N 503.555 3.129 50 40 KGGB O=C(CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br)Nc1cccc(C(F)(F)F)c1 8449832 DEMWVQANCKHZPI-MNNSYISCSA-N 524.131 3.422 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3cccc(I)c3)c2=O)=C(C#N)[C@@H]1c1cccc(I)c1 97968841 IQDNXSMCLSSMKA-JSAJWXMXSA-N 634.240 3.070 50 40 KGGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 100055022 NFDDEEHGJICQTG-FOKLQQMPSA-N 520.361 3.112 50 40 KGGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccncc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 100141663 AWOJTNHFUCZKRA-CAQPMQTCSA-N 559.648 3.449 50 40 KGGB O=C(N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408861564 SPIPSNONYQPSKR-BTZNOAQDSA-N 515.773 3.314 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c(OC)c1 408921967 CXNBTUZXRPPUKE-BWKYPOAKSA-N 520.464 3.044 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)c(OC)c1 408924947 QVKSUABEWXOJLO-NIXKDODNSA-N 734.285 3.330 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC)cc1OC 408949523 REXANWHSBWQOTM-HSZRJFAPSA-N 591.484 3.351 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 409160555 RGUOUQKPHBVUGJ-NHHTYEGYSA-N 581.851 3.264 50 40 KGGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 409256339 NUBZFBPPHGFMGE-FDAWAROLSA-N 532.597 3.093 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)c1CN1CCCc2ccccc21 25783860 NKWDTTKCEUBOHW-RAWMCFOBSA-N 512.361 3.256 50 40 KGGB O=C(N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1)C(=O)N1CCCC1 100400027 DORGDLSPJXJURB-YUMHPJSZSA-N 529.018 3.397 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c(C)cc1Br 408691339 ZKMTUEOVPIUMAL-QHQVIKIASA-N 532.218 3.013 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408837422 FBXJZXNZPUBBCP-WGOQTCKBSA-N 511.556 3.494 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1c(Cl)nn(-c2ccccc2)c1C)S(C)(=O)=O 408894505 QUUZSTOIWZIPID-WYMPLXKRSA-N 510.403 3.412 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(OC)c1 408926565 YOSVXXHDFASXPA-WIGBRQBFSA-N 508.575 3.323 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC)c(Br)c1 408954200 YTSLXNYZCUEMDZ-JOCHJYFZSA-N 561.458 3.343 50 40 KGGB COc1cc(/C=N/NC(=O)c2nonc2N)cc(I)c1OCc1ccc(Cl)cc1 409334980 MWLMXZDUUIVXAG-GZIVZEMBSA-N 527.706 3.261 50 40 KGGB CCCNC(=O)C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 15133787 VGGGDBVUBNDLFZ-ZXKVAPRISA-N 520.589 3.174 50 40 KGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 20212834 RAPNXLOWLRSEEM-DHRITJCHSA-N 510.012 3.285 50 40 KGGB Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c1 28213181 QTECHEIRWBVNLQ-JVWAILMASA-N 508.600 3.237 50 40 KGGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 104703109 DCXZXFSDOYTAJW-OVVQPSECSA-N 537.598 3.162 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)OCCO1 112256056 WVJMRPHAIVCTJA-PZEZKDFMSA-N 566.570 3.401 50 40 KGGB N#CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1 408998735 NXKPIJHBGSLEAZ-XDQFAZSOSA-N 588.427 3.233 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 409168076 LFZGFVSNPPLUHZ-FJEPWZHXSA-N 538.988 3.450 50 40 KGGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(I)cc(I)c1O 409371859 AQQQIBATTQGXIV-LSCVHKIXSA-N 551.078 3.202 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1O 1529547982 UNIWCTLVFPYUPU-OGCGYOKDSA-N 508.600 3.006 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770031 RUNMXJBOVPYRGX-RBBKRZOGSA-N 518.595 3.461 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 100287758 YYSVULQQUDINKD-OGLMXYFKSA-N 588.042 3.439 50 40 KGGB O=C(NNC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)c1ccc2c(c1)OCO2 102188394 YMGDEUYITCOKSP-HAHWHCPGSA-N 550.993 3.339 50 40 KGGB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc1 102890250 VZZZIVIBEOJWHH-UHFFFAOYSA-N 578.672 3.412 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)Cc2ccccc2)c(OC)c1 408726736 UZDAIUDHEIRFPZ-WPWMEQJKSA-N 510.616 3.111 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408783268 LYRZSRYLMHRADM-ZVHZXABRSA-N 527.515 3.166 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)Cc2ccccc2)cc1 408816113 RBFZHLAIUMZJRE-BIZUNTBRSA-N 587.658 3.184 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccc(I)cc1 409027869 HZIVWZRYAODZDM-LSHDLFTRSA-N 525.290 3.226 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 409162310 ZVTHLTKOTXSDQH-RDGMUBKLSA-N 571.350 3.231 50 40 KGGB O=C(N[C@H](C(=O)N/N=C/c1ccc(Br)cc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 13785439 FFSPIKVWLGQHMM-WMPMWDHYSA-N 504.344 3.307 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccc(F)cc2)ccc1OC(=O)c1cccc(OC)c1 97966982 XDRJDBTZPRNYEV-VWJSQJICSA-N 616.566 3.341 50 40 KGGB C[C@@H](O)[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)NCCc1nc(-c2nc(C(=O)NCCCBr)cs2)cs1 150398606 PAKYNTPWKCAXRB-BFUOFWGJSA-N 629.584 3.395 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)ccc1Br 408678475 FOUSTEXSGLCPQH-MXMMTARNSA-N 607.093 3.017 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408772430 LNOQXGXYBFLBTR-CVKSISIWSA-N 540.554 3.183 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1OC 408876494 LOGPZQGXRBQTJQ-YDZHTSKRSA-N 510.410 3.247 50 40 KGGB CCCCOc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1 409028313 LUGKUCKGSAGNCU-HYARGMPZSA-N 529.400 3.386 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)c(Cl)c3)NC(=O)[C@H]2C(=O)OC)cc1 409316796 NCORPGDDZXSVFH-UXHICEINSA-N 531.949 3.375 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNS(=O)(=O)c3ccccc3)C2=O)cc1 8819906 YRKCDRBLGIIQSX-SILNSSARSA-N 519.670 3.467 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(F)cc2)cc1 103902256 WXSQGIOEZIWIPY-FFWFIYGGSA-N 582.654 3.154 50 40 KGGB Cc1cc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3I)C2=O)c(C)cc1Br 408533171 OERWEQYRBDYEEL-UKTHLTGXSA-N 583.180 3.072 50 40 KGGB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)c1 408676798 AGOPKVAVFDDFBZ-CDEZGAEXSA-N 547.391 3.469 50 40 KGGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c(OCC(=O)O)c(OC)c2)cc1 408745067 JLFDVKSGTUUAKP-QPEQYQDCSA-N 508.268 3.317 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 408945555 LAHHVAKCWPBYGR-RUZDIDTESA-N 579.591 3.445 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2Cl)cc1 409266034 VVEQEBBXUFQIPQ-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCCCC2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409313770 DDELGWKBNNEPES-VQTJNVASSA-N 536.448 3.331 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2cccc3ccccc23)ccc1OC(C)=O 409370090 KURBMJZRVYTXSE-KYJUHHDHSA-N 702.625 3.004 50 40 KGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c1 28213162 HUKGUOVOKBUSDM-JVWAILMASA-N 508.600 3.237 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)cc1Cl 58881836 PNUKINVVQWZQMR-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB CCOC(=O)C1=NO[C@@H](Cc2c(/C=N\NC(=O)c3cc4cc(F)ccc4[nH]3)c(OC)c3c(c2OC)OCO3)C1 100238635 ZSOHTBNYCBXIQM-NBORHNSZSA-N 540.504 3.067 50 40 KGGB O[C@H]1CC[C@@H]2[C@H]1[C@H]1[C@H](I)[C@H]3[C@H]4CC[C@H](O)[C@@H]4[C@@H]4[C@H](I)[C@H]2[C@H]1[C@H]34 104288750 QTTBMGMBEGMWKJ-QCNMXFSHSA-N 526.196 3.119 50 40 KGGB C#CCOc1c(Br)cc(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1[N+](=O)[O-] 408954280 NGLUSVNWEABNIC-DFSPORNYSA-N 644.435 3.098 50 40 KGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408956219 PXYPKLMFHRHYHH-TUYTUYLVSA-N 599.040 3.479 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)ccc1OCC(=O)NCc1ccccc1 409159523 NFHCEDNOVBUNCP-UXHLAJHPSA-N 502.571 3.432 50 40 KGGB COc1cc(Br)c(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 1014041 CHKJBEXDMDJNPG-UXHMZNKVSA-N 530.828 3.423 50 40 KGGB C#CCOc1c(I)cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OCC 8811195 HQNJXAWVMKDGSA-YDZHTSKRSA-N 508.312 3.483 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c1C 16349951 YDNRUVJDNALJBN-RWPZCVJISA-N 526.590 3.376 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1cccc(C(F)(F)F)c1 103894835 ABFGMOHZKOVGSU-WCMJOSRZSA-N 562.570 3.317 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC 408541139 BRDUSHNANJAWBM-CHHVJCJISA-N 550.305 3.486 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OC 408604896 JBMRJFUEJWJFOM-OKCVXOCRSA-N 509.534 3.240 50 40 KGGB NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 408885320 ZIIKEBOSZZDMNX-UVHMKAGCSA-N 535.409 3.203 50 40 KGGB COc1ccc2cc(/C=N/NC(=O)CN(c3ccc(I)cc3)S(C)(=O)=O)c(Cl)nc2c1 409026251 JXMADFLFHFNMKH-FOKLQQMPSA-N 572.812 3.418 50 40 KGGB COCCN1C(N)=C(C#N)[C@@H](c2cc(OC)c(OCC(=O)OC)cc2Br)C2=C1CC(C)(C)CC2=O 409123650 HYUKPXRHJNFWLM-JOCHJYFZSA-N 548.434 3.392 50 40 KGGB COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(C)=O 409225244 MGBAKAFSNHVJFS-VYYCAZPPSA-N 534.481 3.470 50 40 KGGB COc1cc(C=N/C(C#N)=C(\N)C#N)ccc1OCc1c(Br)c(=O)n(-c2ccccc2)n1C 252624233 PJRJIWAESOZSJE-TXYHCXSLSA-N 507.348 3.162 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1Cl 408843064 RDANZBPRCHGOKE-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)ccc1O 408951530 UNIWCTLVFPYUPU-XMMPIXPASA-N 508.600 3.006 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)c1 409381192 DOEFLDJWDCFPPM-FCHUYYIVSA-N 583.391 3.363 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(Br)c1 1529546089 CLRWZJYJBPKWRX-PXYXSCDOSA-N 531.432 3.334 50 40 KGGB COc1ccc(C(=O)NNC(=O)c2ccc(OC)c(I)c2)cc1Br 672557 YGKSGGQMXNNOIU-UHFFFAOYSA-N 505.106 3.146 50 40 KGGB O=C(N/N=C/c1cccnc1)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)N/N=C/c3cccnc3)cc2)cc1 96022496 ZMJNMKFBSMIDNC-KQEGLSSTSA-N 566.574 3.161 50 40 KGGB CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100553179 QIIDVOHFBZRLFU-JEBSLRSFSA-N 586.233 3.123 50 40 KGGB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/NC(=S)NNC(=O)c1ccccc1 408532499 MWPUWVWCIAMLDV-XQNSMLJCSA-N 543.649 3.430 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)cc1OC 408948880 PYFWYIOWKXDGRI-AREMUKBSSA-N 553.685 3.426 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)Cc2ccc(Br)cc2)cc1 409021197 YYFAKMOIVMKJOD-AFUMVMLFSA-N 501.406 3.494 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1 409166242 CHSHNGGIPQDRGB-RWPZCVJISA-N 539.386 3.242 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OCC 409235666 CTESZJIZPDHHKA-AUEPDCJTSA-N 525.425 3.439 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)cc1 16678478 DIXFDAKVRLGJBZ-SXFMOBQTSA-N 507.591 3.253 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(I)cc2)c(OC)c1 408956553 RENVYBKNERULOJ-SHIRAINQSA-N 592.390 3.020 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1C#N 409007022 MHHQFACTBJSSDV-IPPBACCNSA-N 501.543 3.263 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409174798 OXJSLYYIYNYGJL-SSNHLYLSSA-N 649.269 3.369 50 40 KGGB CC1=C(C(=O)OC(C)(C)C)[C@@]2(C(=O)N(CC(=O)OCc3ccccc3)c3ccccc32)C(C#N)=C(N)O1 989405 UKZNWNVUWNCZGV-NDEPHWFRSA-N 501.539 3.354 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1cccc(OC)c1 9233232 ALTAAWPTEUGZAJ-HRJIBFCWSA-N 518.570 3.439 50 40 KGGB COc1cccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)c1 408676769 ACYCLLOIXYHJKU-ZKXGSZBFSA-N 517.365 3.461 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 408862132 COUFNHHOAPZSKW-JFLMPSFJSA-N 586.579 3.411 50 40 KGGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc2OC)cc1 409157639 RJLPXHMAECSDMA-WEPAEKJRSA-N 580.423 3.245 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1OC 409267659 VNURVMFLDKYHLI-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409322373 JRGFTUHGHQSPHH-VXKWHMMOSA-N 574.453 3.254 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OCC)c(O)cc1Br 1529548589 JMLZRQNSPMYLRT-VVKUOSDESA-N 591.484 3.438 50 40 KGGB CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)C1 8768323 QPDHQTHFBIELFX-DDNKWHRWSA-N 506.584 3.121 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(I)cc1 59246879 SOUIBGUPPGMJQY-OYKKKHCWSA-N 523.371 3.051 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2cccc(Cl)c2)cc1 409141462 JVMWZKKIYKJNMI-DHRITJCHSA-N 501.948 3.423 50 40 KGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(I)c2)cc1 409368561 CBLMHJFOIFQSPP-UFWORHAWSA-N 502.106 3.482 50 40 KGGB Cc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)c2ccc(Br)cc2)cc1 852547 KFUNVIICJPVXTL-UHFFFAOYSA-N 534.413 3.242 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC 2084998 CILZMJLDOPEJPX-LSHDLFTRSA-N 504.348 3.064 50 40 KGGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)o1 100375464 QEOQEWLKRTYWJX-MWLSYYOVSA-N 561.060 3.235 50 40 KGGB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 100476204 NUFKSAKJEBQEQK-WPWMEQJKSA-N 558.016 3.430 50 40 KGGB CC(C)[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101705456 ZRODEJMJIFWPBY-DBPPRATBSA-N 586.233 3.123 50 40 KGGB COc1cccc(C(=O)N/N=C\c2cc(I)c(O)c(I)c2)c1 408873949 XSSBTEAJYIELOS-LSCVHKIXSA-N 522.080 3.374 50 40 KGGB CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1OC 409157177 PEYIJPFZJQJRGA-LQKURTRISA-N 504.543 3.373 50 40 KGGB C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)N/N=C/c1ccncc1 695716 NEKQDSGVCTYJGG-WYMPLXKRSA-N 533.399 3.318 50 40 KGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(I)c(O)c(I)c1 8385971 GUJMNVKGLXBJBU-CNHKJKLMSA-N 567.077 3.039 50 40 KGGB C/C(=N\NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 97980795 SAMJMZXGZGMUJJ-WPWMEQJKSA-N 524.628 3.333 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc(OC)c1OC 408865641 BRHHBZBBMQRLQE-KIBLKLHPSA-N 523.917 3.301 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1c(C)cccc1C 409170825 XWCOKCNGSOZVIW-OCSSWDANSA-N 502.571 3.139 50 40 KGGB O=C(N/N=C/c1cc(Br)cc(I)c1O)c1ccc2c(c1)OCCO2 1092735 IEASILAMQLCZBS-UFWORHAWSA-N 503.090 3.294 50 40 KGGB O=C(CSc1cccc2cccnc12)NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 12899121 VTCDBKLJDMKNDE-UHFFFAOYSA-N 519.048 3.229 50 40 KGGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NCC(C)C)o2)cc1 58951179 MSJCYQSFCRDSEG-NTFVMDSBSA-N 510.616 3.201 50 40 KGGB COC(=O)COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1 100284678 BDPJJGAQBOHZDX-QRQIAZFYSA-N 588.480 3.385 50 40 KGGB CCN(CC)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])C2=C(C#N)C#N 100931275 ZZTCSKLLEKBCRB-UHFFFAOYSA-N 588.624 3.393 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(OC)c(Cl)c3)S(C)(=O)=O)cc2)cc1 408831424 VOSVCJAYYLFVII-RWPZCVJISA-N 575.043 3.291 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(O)c(Cl)c2)c(OC)c1 408949007 DPXBYECRHGCGOU-NIXKDODNSA-N 551.383 3.428 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 1529548311 CEINKKZUFSZWDM-SJHQEIOHSA-N 580.667 3.470 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2ccccc2)cc1 20060748 BYWUTAPVZKTCIS-WPWMEQJKSA-N 527.599 3.457 50 40 KGGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccnc1 59444631 LKFXMVXFQYWTDD-PCLIKHOPSA-N 501.406 3.228 50 40 KGGB COc1cc(C(=O)N/N=C/c2cc(I)c(O)cc2O)ccc1I 408747614 QJIVZSSZFQDPOL-CNHKJKLMSA-N 538.079 3.080 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409125800 FHHVXMTXTPXKKD-MTDXEUNCSA-N 557.625 3.465 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409174080 LCVVTYDCCVANKI-CCVNUDIWSA-N 563.449 3.165 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 409174501 MWJONWZMSPJSKE-PNQUVVCRSA-N 556.934 3.000 50 40 KGGB COc1c(I)cc(I)cc1/C=N/NC(=O)c1cccnc1 6905775 UVUSGVDTADJBTG-QGMBQPNBSA-N 507.069 3.063 50 40 KGGB O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O)c1cc(O)cc(O)c1 101027805 WYAAURJSWDJOOW-OOAXWGSJSA-N 542.367 3.053 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NNC(=O)Cc2ccc(OC)c(OC)c2)cc1 6924833 PFUYWYOCCAMWHW-MUUNZHRXSA-N 626.666 3.402 50 40 KGGB COC(=O)COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I 408904869 PTOOFGOMHFYOEV-NKVSQWTQSA-N 523.239 3.261 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(I)cc1 409026945 JRVJUKJXNXEZGT-ZMOGYAJESA-N 533.391 3.459 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1cccc(C)c1 409169563 QWJODPKEQKIKRS-KCSSXMTESA-N 562.623 3.237 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(OC)c(Cl)cc2OC)=C(C#N)[C@H]1c1ccccc1OC 2312457 AAPYCGNFECCVTL-YADHBBJMSA-N 546.001 3.475 50 40 KGGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(OCc2ccc(Br)cc2)cc1 13582575 IPCRULRXHGFUAG-MSXFZWOLSA-N 511.340 3.036 50 40 KGGB C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101228489 YVRFYFHZZIZOIT-FZWAFEACSA-N 592.078 3.341 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 103898706 BMFVQJSJRDUOLE-LQKURTRISA-N 538.626 3.246 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)ccc1Br 408678655 BTGPJLSBCQZIFG-IKARSPCKSA-N 595.082 3.161 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408683431 HZWUSOFVOCUGPS-VQHPVUNQSA-N 558.267 3.215 50 40 KGGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408779832 LSMCGBFTXAUALR-QRQIAZFYSA-N 532.578 3.426 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC(C)C)c(OC)c2)c(OC)c1 408956277 QKROHKQDPMXCJV-FCRNLXMDSA-N 554.600 3.211 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2ccccc2OC)cc1 409027031 RKFUMKFCOVJBBZ-UHFFFAOYSA-N 573.425 3.134 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)cc1 409257516 SFGHRPIBDFQXFL-WCMJOSRZSA-N 532.597 3.413 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2c(C)cc(C)cc2C)cc1 409266651 QRNCGUXMWAMFEM-OKCVXOCRSA-N 502.571 3.404 50 40 KGGB CC(=O)OC[C@@H]1O[C@@H](N2C(c3ccccc3)=C[C@H](c3ccco3)C(C#N)=C2S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5956498 AGWLLLXICPTGRC-SFNIVYHDSA-N 610.641 3.468 50 40 KGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c32)ccc1OC(=O)N1CCOCC1 33353566 GYNWLXSMNKLZSM-QFIPXVFZSA-N 563.567 3.160 50 40 KGGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408532994 IZJYEPWJJKXXSV-SODVTCOWSA-N 595.353 3.158 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)cc1Cl 408688557 QUPZHJVQKGZLQD-WYUUTHIRSA-N 571.049 3.397 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770113 NHEKJUHQUABANC-FPOVZHCZSA-N 504.568 3.152 50 40 KGGB COc1ccc(OC)c(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 408689533 YLADSVWDEOGUHS-YUEHCAIXSA-N 515.360 3.466 50 40 KGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 408865448 CLPQUSIXZJMGTJ-JFLMPSFJSA-N 535.066 3.392 50 40 KGGB CC(C)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)cc1 408876330 KXHOGMGBCHHAJA-MUXKCCDJSA-N 509.950 3.400 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)ccc1O 409025694 YVWVXKHSQVAZEL-WGOQTCKBSA-N 513.572 3.154 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409233145 QZSYORUDTSDVLI-NVNXTCNLSA-N 501.337 3.276 50 40 KGGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3OCC(=O)O)nc3ccccc3c2=O)cc1 4456302 WGIFMLLAMXWOEP-VYYCAZPPSA-N 502.552 3.400 50 40 KGGB O=C(N[C@@H](C(=O)N/N=C/c1cn[nH]c1-c1ccc(F)cc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 8781159 VYSKWRJQOOVXSE-GFTMIHTRSA-N 509.501 3.074 50 40 KGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1cccc(O)c1 9845870 MQUDNBJMGUGQGA-ZVHZXABRSA-N 502.390 3.496 50 40 KGGB C/C(=C\NNC(=O)CCC(=O)N/N=C(\C)c1cc2ccccc2oc1=O)c1cc2ccccc2oc1=O 68601377 XYGSVSHQTFLBJT-GTCUMMHBSA-N 500.511 3.202 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)c3c(C)nc4ccc(Br)cn34)o2)cc1 408827310 KRCSSZWRJIMSFQ-DBFSUHOCSA-N 595.410 3.194 50 40 KGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OCC)c1)c1ccccc1 409001799 KNYGWLRAMBSPTO-YBNTXHARSA-N 583.379 3.481 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409111452 CIKHCJHHZRUHOL-MUFRIFMGSA-N 603.650 3.092 50 40 KGGB COc1cc(/C=N/NC(=O)CN(C)C(=O)OCc2ccccc2)cc(I)c1OC 6878747 SYRZEFJCHGQKLT-SSDVNMTOSA-N 511.316 3.027 50 40 KGGB O=C(CNC(=O)C1CCCCC1)NNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 14361108 IVAWDPNJEMRKJZ-UHFFFAOYSA-N 509.972 3.189 50 40 KGGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 20213467 XATUSTYLRJDRSQ-OGLMXYFKSA-N 524.599 3.148 50 40 KGGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)NCCc2ccc(O)c(O)c2)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 100779192 FSMRLDDRGQABHK-RPKVKWIXSA-N 604.697 3.184 50 40 KGGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1 103020104 GWNCAYNJNOBJEO-UHFFFAOYSA-N 553.600 3.393 50 40 KGGB O=C(CCCC(=O)N/N=C\c1cc(Br)ccc1O)N/N=C\c1cc(Br)ccc1O 103311771 XLYUVSHGUNEAFY-KRPUJQTQSA-N 526.185 3.394 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccco3)S(=O)(=O)c3ccccc3)o2)cc1C 408815777 UMJNLRIJWUKJRR-KBVAKVRCSA-N 591.646 3.086 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)c1 408826380 GMTBWPJMGMFIEN-JVWAILMASA-N 509.584 3.201 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC#N)c(OC)c1 408953708 XUROODLMKLBQBT-QHCPKHFHSA-N 616.494 3.245 50 40 KGGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)OCc1ccccc1 408985409 ASTRGEKAPVJXSZ-ZTWLKVPMSA-N 515.324 3.068 50 40 KGGB O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(Sc2nnnn2-c2ccccc2)o1)OCc1ccccc1 408994215 YDPSENZRGILCEB-HRMYGOSUSA-N 557.596 3.117 50 40 KGGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 1435406 LQGHKLFVXIMTLD-UHFFFAOYSA-N 514.561 3.067 50 40 KGGB S=C(NCCNCCOc1ccccc1)SSC(=S)NCCNCCOc1ccccc1 13739278 AKWPFYKBWYUIKZ-UHFFFAOYSA-N 510.776 3.454 50 40 KGGB O=C(NCc1ccccn1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 100400132 KVWCTMPCNBDORI-LJUMEUDFSA-N 566.039 3.486 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)c(OCC)c2)c(OC)c1 104625911 TWRIEIPZVOTLHW-FNYQFALQSA-N 554.600 3.213 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 164562118 GYVXFVVCNQOUDO-KSEXSDGBSA-N 650.211 3.165 50 40 KGGB Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 408872695 OHVWZGFOSWHIJU-PPDIBHTLSA-N 516.341 3.239 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(Br)c1 408940556 CLRWZJYJBPKWRX-OAQYLSRUSA-N 531.432 3.334 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)Nc1ccc(Br)cc1C(F)(F)F 409159561 RARJGSWDOLYUED-XOQNYUNISA-N 571.350 3.231 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cccc1C 409257560 SXINXWWFBYUEFE-YEEYNWEUSA-N 503.397 3.448 50 40 KGGB Cc1cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2)ccc1Br 409262745 JTHSZLNNZYXXQH-RPPGKUMJSA-N 513.348 3.135 50 40 KGGB CCOc1cc(C(=O)N/N=C\c2cc(Br)cc(Br)c2OCC(N)=O)ccc1OC 409314947 TYVAWBUUTGYGSC-AQHIEDMUSA-N 529.185 3.247 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(I)c1 1529545678 ALTHRJFKHPNLBS-UGZOUUKJSA-N 731.363 3.402 50 40 KGGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 8452646 DXUREWPBNAOQPE-XKJRVUDJSA-N 589.365 3.097 50 40 KGGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 59882868 XOFHCAHGZCWNCG-UXHLAJHPSA-N 585.082 3.308 50 40 KGGB CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCC(=O)NCc3ccccc3)CC2=O)cc1 408605527 KNYJEUWBOFKTGG-QFIPXVFZSA-N 516.598 3.449 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408687478 OWEIACUPDXEIMO-GWABWREFSA-N 621.120 3.406 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccc(Cl)cc1 408691144 YLZKERGPBWTYKD-MKXGPGLRSA-N 552.798 3.072 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccc(Br)cc1 408855695 CNBVOBAUFKQYDC-CVKSISIWSA-N 559.442 3.383 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccccc1OC(C)C 408948154 OWNASZNWBOYUGN-XMMPIXPASA-N 510.616 3.359 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1 409259840 GKERXGGQUWHOPO-FCUAXUHVSA-N 519.396 3.148 50 40 KGGB Cc1cc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccco3)c2)ccc1Br 409259870 GVZHBEKNFQTAKW-RPPGKUMJSA-N 513.348 3.135 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1COc1ccccc1 2201141 ZXLIZQLAAJZZOT-IPPBACCNSA-N 528.504 3.294 50 40 KGGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1ccccc1Br 3115438 ZSWCFOBLBPLANU-BRJLIKDPSA-N 500.305 3.150 50 40 KGGB CCOC(=O)CN1C(=O)/C(=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2cccc(F)c2)c2ccccc21 101732279 PYNZBTALJJGOEE-ADKRQZIHSA-N 557.582 3.093 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408779093 QYMJBRLTOQLYIH-JVWAILMASA-N 540.598 3.016 50 40 KGGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)NC[C@@H]3CCCO3)o2)cc1 408832938 QZDHBOIBMKDRIE-GWPKRETCSA-N 573.071 3.378 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)c(=O)c1C#N 409004139 OIBVSNYIOPJXBF-VVEOGCPPSA-N 580.439 3.414 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccccc1C 409166141 CLGUYMWAVWSGIC-KCSSXMTESA-N 562.623 3.237 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409169941 RJRDXQSSSGZINN-IURWMYGYSA-N 662.412 3.342 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409259428 ZKHXHZZYWMNIQF-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770106 BPIFOBUFVXHOCK-IFMALSPDSA-N 518.595 3.461 50 40 KGGB NC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 13148260 QBSGVFAXQOFYME-QHCPKHFHSA-N 507.550 3.041 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 409183769 GAMJYTRGRIBSSO-LQKURTRISA-N 538.626 3.246 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3F)NC(=O)[C@H]2C(=O)OC)cc1 409304066 PPVSFYHOJAXDQQ-PMACEKPBSA-N 576.400 3.484 50 40 KGGB CN1C(=O)/C(=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c2ccccc21 409334217 WGSFISKMUUZOOX-XTCLZLMSSA-N 527.400 3.141 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 409369905 HHJZNKQZHJNYAW-IZLXSDGUSA-N 655.616 3.253 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)ccc1OC(C)=O 409386122 LGQZFZOYGCRJRZ-FTJBHMTQSA-N 721.455 3.158 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OC(C)=O)cc1Br 1529548079 XBOSXUDMLSHQFJ-ZJAURVBUSA-N 619.494 3.268 50 40 KGGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1CCC(C)C 97980006 MMIVNMDFEKHWOW-XQNSMLJCSA-N 542.658 3.261 50 40 KGGB COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccccc2I)s1 408731333 LUSGNBZZAIKVGX-SRZZPIQSSA-N 521.340 3.096 50 40 KGGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1I 408796338 XWVYKEAPLMDASU-NTUHNPAUSA-N 507.240 3.297 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1)NC1CCCCC1 408826933 UHCVAKVLPQSGAM-AFUMVMLFSA-N 501.381 3.366 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 408827597 FEXPLYNTWCRNPS-OCSSWDANSA-N 591.602 3.229 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1cccc(C(F)(F)F)c1 408841528 LBDGZDSZDXGVGX-WKULSOCRSA-N 554.591 3.449 50 40 KGGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1C 409001057 GHEURPCUUQRTGY-KWICDZTMSA-N 591.709 3.480 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1OC 409165420 YBCTTZKCBSQTET-OKCVXOCRSA-N 538.988 3.184 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1 1529548836 IMNHSMQOESISSL-GKFWUUHHSA-N 594.694 3.289 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)cc(OC)c1OCC#N 1529548983 RKUCPDZDHPVFOG-ZPIQXASCSA-N 663.494 3.087 50 40 KGGB C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101228482 YVRFYFHZZIZOIT-KOQLXHKWSA-N 592.078 3.341 50 40 KGGB CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 102656865 GIDXFVDEGMPFDI-ZHTNZKAISA-N 514.214 3.190 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Br)c1OCCOc1ccccc1 13786031 LWINLKZNBCHQKB-ZMOGYAJESA-N 520.409 3.432 50 40 KGGB CC(=O)Oc1ccc(/C(C)=N/NC(=O)CCSCCC(=O)N/N=C(\C)c2ccc(OC(C)=O)cc2)cc1 17316259 FZHPUYZHBQDCGC-XUIWWLCJSA-N 526.615 3.431 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)c(C)c1 28213137 QZMRDDBZVWXYNT-RWPZCVJISA-N 526.590 3.376 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)OCCO1 112256065 IRGPNVFSCSCFSJ-NSJRZLKASA-N 566.570 3.401 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Br)c(Cl)c1 408682314 KUMZVNTYQJQQIR-HOWZHXDLSA-N 627.511 3.362 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408688581 QZGWYHMBKKSNQN-MVXJNQHVSA-N 621.120 3.407 50 40 KGGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408771302 FRGPWJSJWDXOGD-MYKKPKGFSA-N 509.371 3.462 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1)NC[C@H]1CCCO1 408841969 MQXHUMDYEPOMCZ-IXLGETPNSA-N 569.706 3.442 50 40 KGGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408867097 JVYFELXXWCDCBA-RDRPBHBLSA-N 615.506 3.032 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC#N)c(OCC)c1 408941501 DSZWTYOGDRGXLC-DEOSSOPVSA-N 677.521 3.477 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OC)c(OCC#N)cc2Br)c(OC)c1 408956913 RSVQHLRPZLWFPO-MEIHFEFKSA-N 630.452 3.089 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1O 1529548456 GUFWRHIXCBNDLB-MYQKJCMASA-N 552.653 3.404 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)Cc2ccccc2)cc1OC 59443889 TXJVZQWNCQEWDP-WPWMEQJKSA-N 510.616 3.111 50 40 KGGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408856053 AOMNFXQIQNJTRC-DYIFSOBNSA-N 623.669 3.069 50 40 KGGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cc2OC)c1 409265880 WNUDGJPATJOPCI-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB CCC(O)(CC)C(=O)NN(C(=O)CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)cc1 1765213 KDMMSQVLWQNAQM-UHFFFAOYSA-N 526.453 3.041 50 40 KGGB CCOc1ccc(CC(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)cc1 408711695 GLMHSRFBMVUEGJ-ZMOGYAJESA-N 540.354 3.333 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409232059 NSISMGNTTZGCIX-NVNXTCNLSA-N 548.337 3.118 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409320981 DBMDBGBXEKOWFR-LEWJYISDSA-N 544.427 3.245 50 40 KGGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)c(O)c(I)c2)c1 409369389 LZLMYIBHZKQOSK-UFWORHAWSA-N 502.106 3.482 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2 8721630 KRPOBHVEAMUNHC-BRJLIKDPSA-N 505.902 3.436 50 40 KGGB COc1cc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC(C)C)c(OC)c2)C=3C#N)ccc1OC(C)C 102662744 AJWIGLCUBHJZNL-ZCAIJAMPSA-N 558.660 3.453 50 40 KGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)c1 102998969 OPNDKNMQVJHEHI-DEOSSOPVSA-N 552.653 3.410 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(OCC)c(O)cc2Br)c(OC)c1 408955193 OGAYIOTVQKBRIM-RLONDSQRSA-N 605.442 3.282 50 40 KGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cc1 409026986 MUWXSTJIICFSRB-LJVLJBDNSA-N 536.654 3.422 50 40 KGGB CN1C(=O)/C(=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c2ccccc21 409329095 CRCHTPTVSIRQMW-QUPMIFSKSA-N 516.501 3.398 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc2c(cc1Br)OCO2 1529545133 YGBDPTNWHKQUGW-FDFJPOSJSA-N 575.441 3.063 50 40 KGGB Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(=O)(=O)c3ccc(Br)cc3)cs2)n1 1395166 XDBZWWAELZOXEC-UHFFFAOYSA-N 510.317 3.042 50 40 KGGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccc(F)cc2)ccc1OCc1ccccc1F 1876881 XIDIKWGXUFSYMF-IURWMYGYSA-N 576.520 3.441 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC 104402149 PMEQDWOBODWCNG-ZVBGSRNCSA-N 547.143 3.378 50 40 KGGB CCCCOc1ccc(C(=O)N/N=C(\C)[C@@]2(O)Cc3c(O)c4c(c(O)c3[C@H](O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)cc1 150387467 UADFMYZNFNRCDC-ZELXGIRKSA-N 717.772 3.425 50 40 KGGB CCCCCCCCC/C(CC(=O)N[C@H]1CCOC1=O)=N\NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 299817363 YRIITMQTGYYHQE-UIISJDPESA-N 537.727 3.147 50 40 KGGB in-vitro COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)cc1 408863732 PBZLLCOVQKHKBD-XTFCHBONSA-N 554.625 3.026 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 408879698 COLNEFISUVWDLE-QNDYCBLQSA-N 513.845 3.472 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)c(OC)c1 408947050 ACOLGXACUYZUAQ-QWMPUUBNSA-N 605.442 3.282 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1 408953063 LLHSTCIHXIHZNK-FDBZCLHMSA-N 524.574 3.204 50 40 KGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(Br)c(OCC(N)=O)c(OCC)c1)c1ccccc1 409002657 OYBUVLVZLQJCKB-WUERFNLMSA-N 535.395 3.040 50 40 KGGB CCOc1c(I)cc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)cc1OC 409246791 BFZKMYTVSUTKSS-UKWGHVSLSA-N 500.362 3.348 50 40 KGGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 12418110 VRDTXUWGJPYZPR-QXFNRMSRSA-N 518.482 3.262 50 40 KGGB COc1cc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc2c1OCO2 19597312 NEVQIXZWCJANKD-XUZZJYLKSA-N 509.522 3.486 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1 100145517 LXEZPWPMXKBSGD-BIZUNTBRSA-N 587.658 3.184 50 40 KGGB COc1ccc(C(=O)N(NC2=NS(=O)(=O)c3ccccc32)S(=O)(=O)c2ccc3ccccc3c2)cc1 103761463 GZOBPQYFCSWSNV-UHFFFAOYSA-N 521.576 3.333 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 408607964 GBKFGMFQONYWRB-KKMKTNMSSA-N 533.423 3.314 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408786774 VZPNIOSQPDOTOO-CVKSISIWSA-N 542.570 3.275 50 40 KGGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 408873119 NCBVURKEGCPUPY-ZMOGYAJESA-N 540.436 3.086 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3c2OCCO3)c2ccc(Cl)cc2)cc1 408906285 FLHLKQFDSURQBH-CVKSISIWSA-N 515.975 3.465 50 40 KGGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2OCC(N)=O)cc1 409261721 DBEIHHWHURWKGS-MLPAPPSSSA-N 537.164 3.408 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)c(OC)c2)cc1 409269651 LDWNATJKPXJTEJ-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@@H](OCCOCCOCCOCCN2C(=O)c3ccccc3C2=O)CN1 1777699071 NLFPGFSSIZQXNJ-FCHUYYIVSA-N 536.742 3.101 50 40 KGGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4ccc(Cl)cc4s3)cc2)CC1 8830331 AWONOMOUJUIQSM-UHFFFAOYSA-N 524.024 3.169 50 40 KGGB O=C(CCC(=O)OCCc1ccccc1)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 12137693 VXYLBBXLQCJVHD-UHFFFAOYSA-N 518.595 3.141 50 40 KGGB COc1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)c(Br)c(Br)c1O 100328368 IMVPVKNIWDVLDZ-CCYVPWSASA-N 525.197 3.392 50 40 KGGB COc1cc(/C=N\NC(=O)c2ccc(OC[C@H](O)CN3CCN(c4ccc(F)cc4)CC3)cc2)cc(OC)c1OC 100847723 GAZACAAROKZSTB-RFPUYBDHSA-N 566.630 3.177 50 40 KGGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)cc2)c1 408532698 IULXTALYONKSAT-PXGAOIJESA-N 609.380 3.467 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccc(Cl)cc1 408685289 LFIMHHOAQAEGTB-YRXWBPOGSA-N 552.798 3.072 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1 408776605 WYEQACHCDWMYRS-MYKKPKGFSA-N 509.371 3.462 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)cc1 409154422 AOFWZUXAIQFVQR-IPPBACCNSA-N 557.376 3.381 50 40 KGGB N#C/C(=C/c1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)NC(N)=O 409230341 YJLDKZHYKPHSBW-ACAGNQJTSA-N 617.137 3.275 50 40 KGGB O=C(NNC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccccc1 409380636 AISYLLYTWNPEAH-UXHICEINSA-N 545.331 3.290 50 40 KGGB C#CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 1529548052 WJHYYGHTAZCRLN-VLQKAMOESA-N 632.480 3.188 50 40 KGGB CC(/C=N/NC(=O)CNc1cccc(Br)c1)=N\NC(=O)CNc1cccc(Br)c1 100992415 QWHGIZRXBZFZOJ-LDMSFWHESA-N 524.217 3.330 50 40 KGGB N#CCC(=O)N/N=C1/C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)[C@H]1c1nc2ccccc2s1 102947968 ANNQCDWSZQAHJE-KDFHYHBSSA-N 500.323 3.215 50 40 KGGB C[C@H](O)[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)NCCc1nc(-c2nc(C(=O)NCCCBr)cs2)cs1 150398600 PAKYNTPWKCAXRB-DJJJIMSYSA-N 629.584 3.395 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408686424 NCGULPZEFMAEHM-PPTJPPEBSA-N 628.314 3.149 50 40 KGGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NC[C@H]3CCCO3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 408826157 BQFNUNWXDGJGFJ-XYAAITCMSA-N 552.653 3.033 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)C)c(OC)c1 408942626 GHNFAWQZUHTEAQ-VWLOTQADSA-N 540.642 3.367 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1 409165273 VRJZGFVXGKZLIG-OBPDLJBASA-N 539.814 3.493 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 19955556 LFVWQMNOFVBEDY-CVKSISIWSA-N 513.572 3.072 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)o2)cc1 408847464 MNIMDCRUQYJSDB-JXAWBTAJSA-N 516.510 3.265 50 40 KGGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408870368 UTJQYJOIJBNTCN-QUCIRZCISA-N 618.737 3.480 50 40 KGGB C=CCn1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)c2ccccc21 408922465 FHVUZJWNSCHRKL-WZAVBVGXSA-N 531.569 3.166 50 40 KGGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408967457 RSWSRRXVHOSORV-FSJBWODESA-N 522.368 3.110 50 40 KGGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(OC)c3)c(OC)c2)cc1 409170521 WDHSXESKERQHDW-LQKURTRISA-N 504.543 3.373 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1C#N 27497289 GBNADNGSZWETAR-XODNFHPESA-N 519.514 3.433 50 40 KGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 100145422 ZJKJNPYRXDUJLX-MTDXEUNCSA-N 566.661 3.099 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 100344175 WYLOGZWWJKMYSY-JVWAILMASA-N 543.598 3.075 50 40 KGGB N#CC(C#N)=C1c2cc(S(=O)(=O)NCc3ccco3)cc([N+](=O)[O-])c2-c2c1cc(S(=O)(=O)NCc1ccco1)cc2[N+](=O)[O-] 150444255 RGHKRXFOQBUDHA-UHFFFAOYSA-N 636.580 3.475 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1)NCCc1ccccc1 408862338 YDTOGVNBEYJFSA-FMFFXOCNSA-N 571.659 3.165 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2Br)c(OC)c1 408947113 AICOFLWWRFSIQW-SHIRAINQSA-N 545.390 3.178 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C)c2C)c(OC)c1 409264441 FSPIQECUVRSCQV-ZXGJNYTGSA-N 533.423 3.457 50 40 KGGB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 409378036 MTKYLTJBWBIPMF-PMACEKPBSA-N 545.331 3.290 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)ccc1OC 1529545733 BBIXBOPXJVJZGZ-GMMBANTPSA-N 561.458 3.343 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCC#N 1529549047 SFCZOFJGPWORAF-OVCQRUIESA-N 586.468 3.236 50 40 KGGB CCOC(=O)c1sc2nc(CSCC(=O)NNc3c(F)c(F)cc(F)c3F)[nH]c(=O)c2c1C 3404624 PASROMIRLCDNMY-UHFFFAOYSA-N 504.487 3.403 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770108 BPIFOBUFVXHOCK-RBBKRZOGSA-N 518.595 3.461 50 40 KGGB COc1ccc(CC(=O)NNC(=O)CSc2nnc(Cc3ccc(OC)cc3)n2-c2ccccc2)cc1 8691973 UQVQDRBZZFKHTA-UHFFFAOYSA-N 517.611 3.358 50 40 KGGB Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1C 12657497 KVTJMRQLXXTCRD-UHFFFAOYSA-N 502.420 3.285 50 40 KGGB Cc1nc(C(N)=S)sc1/C(CC(=O)C(=O)Nc1cccc2ccc(O)cc12)=N\NC(=O)c1ccncc1 102301339 PINIBNOVSFLMEK-FSGOGVSDSA-N 532.607 3.072 50 40 KGGB CCOc1ccc(N2C[C@@H](C(=O)NNc3cccc(OC)c3OCC(=O)NCc3ccccc3)CC2=O)cc1 408603666 GTUOYJQQCZSBEG-NRFANRHFSA-N 532.597 3.285 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@H]1Cl)Nc1ccc(Oc2ccccc2)cc1 408684084 JKTDTWGGYMOHBL-AMTYWOJFSA-N 517.365 3.426 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4C[C@@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408685874 MCMMNXWDWABPFO-JVSBHGNQSA-N 533.364 3.383 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)cc1)Nc1cccc([N+](=O)[O-])c1 408691346 ZLMCYGYHBPCKPL-VTLVALNESA-N 532.336 3.360 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)c(OC)c1 408949732 FYJOKEJQQDFGCU-ZMKIWGOUSA-N 623.446 3.274 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(C)=O 409375772 PBNNEKAGITUHHQ-PXLJZGITSA-N 861.766 3.129 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC(C)C)c1 1529548755 NGJLINUXBAOLRM-SIMLIIDHSA-N 510.616 3.359 50 40 KGGB COc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1OCc1ccccc1 100852338 YPFGRNHVTWQGOB-CEUNXORHSA-N 536.654 3.039 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(O)c(I)c1 408948166 OWQGOMUVEFNURK-HXUWFJFHSA-N 720.327 3.486 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCC#N)c(OC)c1 408948527 CTEBHCUDXVPAIL-OHPKEMRTSA-N 600.426 3.080 50 40 KGGB CCOC(=O)Cn1c(C)c(/C=N\NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 1529548600 JVRFLMXTVJVZAG-DEVZUALUSA-N 591.690 3.398 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408683183 HOJSAEVKGQMRJR-WWEGZTGJSA-N 576.669 3.297 50 40 KGGB COc1cc(C(=O)N/N=C/c2cc(I)c(O)c([N+](=O)[O-])c2)ccc1I 408746905 HNNJOATYULDGSA-CNHKJKLMSA-N 567.077 3.282 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2ccc(F)cc2)cc1OC 409132043 KQCRRCIMHNHWAX-RWPZCVJISA-N 561.588 3.214 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409264736 RRRMIEJVCKHZNG-WKULSOCRSA-N 508.962 3.441 50 40 KGGB C[C@@H](OC(=O)COCCOCC(=O)O[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060999689 GQVDEUNDXXEIMF-QZTJIDSGSA-N 666.552 3.007 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(OC)c1 19950610 IYOLZCDJWPELSO-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB CCN(CC)S(=O)(=O)c1cccc(N2C(=O)/C(=C\NNC(=O)c3cccs3)c3ccccc3C2=O)c1 97980572 FIIITXVRQOMMHE-PGMHBOJBSA-N 524.624 3.241 50 40 KGGB COc1cc(OC)cc(C(=O)NNC2=C/C(=N/S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2=O)c1 101027872 PDSWGRIUEZFILT-FAJYDZGRSA-N 505.552 3.205 50 40 KGGB Cc1ccccc1NC(=O)C(=O)N/N=C1\C[C@@H](C(=O)OCC(C)C)/C(=N/NC(=O)C(=O)Nc2ccccc2C)C[C@H]1C(=O)OCC(C)C 150370276 IBSTTZPWSKYDIN-RHAVVDTHSA-N 662.744 3.250 50 40 KGGB O=C(NC[C@@H]1CCCO1)c1cccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)c1 408673605 UFGPMLPYIKIIFO-JZAWBGDQSA-N 514.214 3.022 50 40 KGGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OC)c2)cc1OCC 409322458 XJMKUAFXKGLGLH-ROTLSHHCSA-N 508.369 3.273 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c2cc(C)cc(C)c2)cc1OC 409349278 VJQPWBBAUVQKQU-PBBVDAKRSA-N 536.610 3.013 50 40 KGGB CC(=O)OC[C@@H]1O[C@@H](N2C(c3ccccc3)=C[C@H](c3ccco3)C(C#N)=C2S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5956502 AGWLLLXICPTGRC-BCOAMYNKSA-N 610.641 3.468 50 40 KGGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 100025624 ZHTQWGZMYPMELO-WYMPLXKRSA-N 539.413 3.168 50 40 KGGB CCCCOc1ccc(C(=O)N/N=C(\C)[C@]2(O)Cc3c(O)c4c(c(O)c3[C@H](O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)cc1 150387465 UADFMYZNFNRCDC-GTBOFLNHSA-N 717.772 3.425 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1OCC(=O)Nc1ccc(Cl)cc1 409153348 LFZREYUEEFRXQG-LUOAPIJWSA-N 563.792 3.488 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1 409155105 BQRGFQXWGFNLRJ-NXUGVVLJSA-N 580.423 3.299 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 409162781 HRQVNEBRJZWMHR-AMVVHIIESA-N 587.402 3.389 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCCOC(C)C 409253905 CMBVSGYCTLZVIA-MZJWZYIUSA-N 533.423 3.156 50 40 KGGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)c(OCC)c2)cc1 409255070 GZTGXIPDXQPRCU-MTDXEUNCSA-N 510.591 3.354 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 409262315 GSSSDXKLBGFTPQ-RWPZCVJISA-N 508.506 3.339 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCCCC2)=C(C#N)[C@@H]1c1cccc(Br)c1 409334659 UTUBKMYISXMUFK-OALUTQOASA-N 506.422 3.323 50 40 KGGB O=C(C[C@H]1SC(=O)NC1=O)NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 101261988 FEMXHYOTOSALFU-AWTVJELMSA-N 579.125 3.105 50 40 KGGB O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 102982593 IACYEPUKJFFTHX-COOPMVRXSA-N 539.013 3.042 50 40 KGGB O=C(COc1ccc(Br)cc1NNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NCc1ccco1 408602569 DSXHRTNRVLLKHG-MRXNPFEDSA-N 527.375 3.234 50 40 KGGB Cc1c(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)ccc(Br)c1Cl 408681739 INKINICXCXOUNL-FFRWPIKQSA-N 521.589 3.464 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)cc1 408727524 QHBPKMVZALHTPD-WGOQTCKBSA-N 526.571 3.489 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1Br 408970656 JWFPSSSILKTLKF-SPIWIXLJSA-N 548.434 3.369 50 40 KGGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c1 409253413 FZBCDFTXDZETGS-MZJWZYIUSA-N 533.423 3.156 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1[N+](=O)[O-] 15231311 KZQKTGFNMKVQTI-NUGSKGIGSA-N 508.862 3.192 50 40 KGGB COc1cc(S(=O)(=O)NNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)ccc1NC(C)=O 102972412 JCCOJMOKAAMZDR-UHFFFAOYSA-N 587.463 3.385 50 40 KGGB COc1cc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(NC(C)=O)cc3)cccc2[N+](=O)[O-])ccc1OC(C)=O 409226513 UBJWFXXYRFACFF-VYYCAZPPSA-N 534.481 3.470 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Br)cc(I)c2O)c1C#N 727637 YFLDUFPTFOHAQL-QPJQQBGISA-N 559.158 3.010 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 9846976 CEWRFSWDSHMZPD-JVWAILMASA-N 527.599 3.062 50 40 KGGB Cc1ccc(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)cc1 98001655 HOFFLUAKDDATJQ-UFWORHAWSA-N 536.107 3.439 50 40 KGGB O=C(CCCCl)NC(=S)Nc1c(I)cc(I)cc1C(=O)O 100007596 JGMSKFXEWSGQSV-UHFFFAOYSA-N 552.559 3.426 50 40 KGGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21)c1cccs1 104202211 DBPKMLVQDCFACE-QBYFQKRUSA-N 552.454 3.230 50 40 KGGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408769434 UXCQPPLIPZAHHA-PPDIBHTLSA-N 516.341 3.239 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(C)c2ccccc12 408948895 PYUBLEKHDOKFCP-RUZDIDTESA-N 519.627 3.372 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccccc2O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409133171 ZYZOPXAGDHFRAL-WPWMEQJKSA-N 543.598 3.162 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cccc(I)c1 1529548573 JEEBYXVHRAUIMA-PXYXSCDOSA-N 578.432 3.176 50 40 KGGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1ccc(Cl)c(Cl)c1 100858401 XEDBLGKOBBSITK-FMCGGJTJSA-N 534.263 3.213 50 40 KGGB O=C(COC(=O)CCC(=O)Nc1cc(Cl)ccc1Cl)NNC(=O)c1ccc(Br)cc1 408664940 QADNICZCZZLNOH-UHFFFAOYSA-N 517.163 3.479 50 40 KGGB COc1ccc(OC)c(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 408689529 YLADSVWDEOGUHS-IGQFXSRTSA-N 515.360 3.466 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)c(OC)c1 408921956 CUYDBQCEWZHOLK-FIAFYXTNSA-N 602.600 3.253 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(O)c(OCC)c1 408944696 JJXHNXOYBGGGFR-QFIPXVFZSA-N 591.484 3.438 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1Br 409185545 MHYBEJGVRQZNKA-SRZZPIQSSA-N 532.258 3.194 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCC#N)cc1Br 1529546817 HTGGEQNQTVUJSQ-OHPKEMRTSA-N 616.494 3.245 50 40 KGGB O=C(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)NN/C=N\OCc1ccc(Cl)cc1 8873748 FGSLAORJGSFKAY-UHFFFAOYSA-N 505.328 3.310 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)C(C#N)=C(N)[C@@H]2C(=O)c2ccccc2)cc1 102092481 FGLGJKKNZZNLNP-LOSJGSFVSA-N 531.550 3.287 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 408612129 XOPIZCYXZLBYAQ-FJEPWZHXSA-N 526.952 3.314 50 40 KGGB CNc1c(I)cc(/C=N/NC(=O)c2ccccn2)cc1I 408743121 UUHKUNPKBBUSQZ-UFWORHAWSA-N 506.085 3.096 50 40 KGGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1)c1ccccc1 408829482 PLNQTVVEYHBBTC-NXENVEDLSA-N 564.664 3.091 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)O)c(Br)c1 408954735 ZOSWJGPKVWLZCH-JOCHJYFZSA-N 639.912 3.451 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1cccc(C)c1 409151060 GBTBPFLFUOHPLG-XODNFHPESA-N 604.401 3.375 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(OC)cc2)cc1 409170062 SFLMMKCPHYJNTN-WKULSOCRSA-N 569.412 3.250 50 40 KGGB CC(C)[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100553181 QIIDVOHFBZRLFU-UYKVLPSVSA-N 586.233 3.123 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1C 408678685 FXZOFRSKDIZVGS-NRHSGRHJSA-N 621.120 3.326 50 40 KGGB O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1ccc(Br)cc1 408732496 VUDVBDGIRCKQDO-UFFVCSGVSA-N 523.210 4.008 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1)S(C)(=O)=O 408826706 IWWPZRZXPVKJHD-OGLMXYFKSA-N 554.625 3.028 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(OC)c2)cc1OC 409161849 ZPBPPSKIDFJFSS-WCMJOSRZSA-N 613.465 3.301 50 40 KGGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409324836 VIKQNWKXPDLCOH-FGZHOGPDSA-N 521.595 3.454 50 40 KGGB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 408653320 FEQPRBXLSKSQIE-GOSISDBHSA-N 529.977 3.044 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1OC 408781621 CXKXEUOKKGQKDC-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB C#CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408955187 OFAXDBXKURTYKL-KIQFVGOMSA-N 646.438 3.032 50 40 KGGB CCOc1cccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1O 409117988 RZGPHDVSXBZCGH-MTDXEUNCSA-N 541.626 3.192 50 40 KGGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)cc1 409159506 QRDPMXCYDLALRY-LQKURTRISA-N 504.543 3.373 50 40 KGGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(I)c1)C(=O)NC1CCCC1 409193218 FRDOXPQKPNVDAD-WZUFQYTHSA-N 519.133 3.483 50 40 KGGB CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1 409263225 LSKFMJCINXXLSU-FDAWAROLSA-N 532.597 3.093 50 40 KGGB O=C(N/N=C/c1cc(Br)cc(I)c1O)C(=O)N/N=C/c1cc(Br)cc(I)c1O 8443240 HPHMRXMMVNUGEF-OXAZHYLESA-N 735.896 3.432 50 40 KGGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccc([N+](=O)[O-])cc32)cc(Br)c1OC 20086846 UEBKQQRSUXGWIJ-KRWDZBQOSA-N 513.304 3.445 50 40 KGGB O=C(COC(=O)CCCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccc(Br)cc1 408668451 TXXXCOJVUTWRMW-UHFFFAOYSA-N 541.196 3.325 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S(C)(=O)=O)c(OC)c1 408863319 RCJYVBPQXFKVIK-CVKSISIWSA-N 542.570 3.107 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1OC 408870431 DNDCDGDFVYSBPW-LZCVXGSNSA-N 540.436 3.336 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(Cl)cc1 409171490 CEARFZXJNNFSAK-AMVVHIIESA-N 552.971 3.251 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cc1 409265930 VCLNEBZZDCVGME-FDAWAROLSA-N 532.597 3.093 50 40 KGGB C#CCOc1c(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(Br)cc1OC 1529549471 ZWBYNMDJHZVNSM-NMBZELBNSA-N 615.506 3.355 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccccc2)cc1 28212944 OVJSLOUECPXXPI-OGLMXYFKSA-N 522.627 3.244 50 40 KGGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 59646088 YGLHZXYNTGDSEQ-ZBVGTAKBSA-N 564.664 3.015 50 40 KGGB C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)cc2C1=O 408690865 WYIFDVVIZWAALV-OAHLLOKOSA-N 505.914 3.315 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2cccc(C)c2)cc1 408866930 IMPVEJPICXVLHW-HUEHPZEESA-N 578.691 3.323 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccc(I)cc1 409027710 PNMXDIPQZAHSPJ-WSDLNYQXSA-N 523.352 3.066 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 409153383 HVYQEWUBQBPYER-ICPJCJOJSA-N 537.400 3.155 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccccc1Cl 409169048 OKPWRDUOMRPFHE-ZAKSKNOPSA-N 628.851 3.106 50 40 KGGB O=C(NNC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccccc1 409380634 AISYLLYTWNPEAH-PMACEKPBSA-N 545.331 3.290 50 40 KGGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(Cl)cc1 2176777 CTZJVFRRDUVMMZ-WPWMEQJKSA-N 514.003 3.495 50 40 KGGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)C(=O)N1CCOCC1 16401826 TYRIMSHIYDGUGF-WQRHYEAKSA-N 518.307 3.334 50 40 KGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)c1 97964101 DYJJHZYIBLNAAQ-QHFGQAMDSA-N 536.654 3.476 50 40 KGGB COCCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)o1 100375475 OBZVTAJOUXGYFC-MWLSYYOVSA-N 561.060 3.235 50 40 KGGB COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1OCc1ccc(Br)cc1 408616695 ZWRLHUMBGAFWTR-VULFUBBASA-N 506.397 3.418 50 40 KGGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc1Br 408690217 UIDBPVMINCAINB-WITHRNOMSA-N 621.120 3.407 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 408841406 JWGPVPXHXLVEJM-OCSSWDANSA-N 582.679 3.261 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 408880019 IGBQGNJEIAHASV-JFLMPSFJSA-N 551.065 3.093 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)cc1OCC 408906128 HKSZLRDIBFKVQZ-QDCCHXAWSA-N 611.433 3.439 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409158834 ZCYJCOJFALXOMU-FJEPWZHXSA-N 630.439 3.401 50 40 KGGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)N3CCOCC3)c(OCC)c2)cc1 409164870 OYELGURNHUCDJT-STBIYBPSSA-N 652.486 3.195 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)OC)c(I)c1 1529548248 ZPBSXOBRWGOAFK-HTRGEFSHSA-N 792.390 3.333 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc(C)c1Br 408685059 QATWSGYABBMHFR-APPCYTQWSA-N 621.120 3.326 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408781672 CTHCCVRYCPFJDL-VULFUBBASA-N 511.556 3.087 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1 408863766 PYGPGXGFWWSREY-IAEWTUJKSA-N 564.664 3.015 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(N)=O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409137870 WZQVBBFVHPQUEN-CCVNUDIWSA-N 529.018 3.167 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(Br)c1 1529545142 YTSLXNYZCUEMDZ-SHIRAINQSA-N 561.458 3.343 50 40 KGGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548738 MZIPVDUISXYNEB-NBUDSHOTSA-N 585.480 3.346 50 40 KGGB COC(=O)C1=c2s/c(=C\c3cccc(Br)c3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccc(Br)c1 1872589 ILVGIRCERWMUJR-XUKORKDYSA-N 573.266 3.036 50 40 KGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 12662194 LODGWRLHSKDXBY-AULDOXFWSA-N 501.536 3.290 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408683112 HKRZZIZFKSAHQP-VNUXUXBQSA-N 576.669 3.298 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1O 408762722 MATIUVGZMODQBP-KCDOPAPYSA-N 559.426 3.157 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409258460 XPEOLTGXIDCKMD-RPPGKUMJSA-N 531.407 3.211 50 40 KGGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1 409379672 ZLJIDJPBOXTIKT-FTJBHMTQSA-N 595.564 3.236 50 40 KGGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)CCSCCC(=O)N/N=C(/C)c2ccc(OC(C)=O)cc2)cc1 17316262 FZHPUYZHBQDCGC-HJTNQMAYSA-N 526.615 3.431 50 40 KGGB O=C(N[C@H](C(=O)N/N=C\c1ccc(Br)cc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 33899808 FFSPIKVWLGQHMM-IDEIYSCTSA-N 504.344 3.307 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)O)c(Br)c1 408954738 ZOSWJGPKVWLZCH-QFIPXVFZSA-N 639.912 3.451 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccc(F)cc2)cc1OC 409116183 ORMCLYAAXADKSR-JVWAILMASA-N 514.579 3.255 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2F)cc1 409157855 WORTUCFIACPFSD-IPPBACCNSA-N 557.376 3.381 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1OC 409160839 XLUDJABGEFFAQR-WCMJOSRZSA-N 553.015 3.492 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)cc2OC)cc1 409167823 JVBCRXCQEKIMRU-LQKURTRISA-N 504.543 3.373 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)cc(I)c1O 1529544841 PROKOWAMVFLKMT-DJRZNSPTSA-N 720.327 3.486 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(C2CCN(C)CC2)c([N+](=O)[O-])c1 1529548837 IMNHSMQOESISSL-WRXACXFYSA-N 594.694 3.289 50 40 KGGB COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc(OC)c1OC 9905812 WYYOFAZNAYCRPB-VULFUBBASA-N 509.471 3.369 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OC(C)=O)cc1Br 408953221 XBOSXUDMLSHQFJ-XMMPIXPASA-N 619.494 3.268 50 40 KGGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 409112319 FUKWAHIYLMUEGG-WPWMEQJKSA-N 649.467 3.382 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409114192 DJTXYRCFUMIXCG-RDRPBHBLSA-N 587.651 3.474 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1Cl 409164063 BZQRXKXFGJVTFT-AMVVHIIESA-N 552.971 3.251 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1)S(C)(=O)=O 409186275 ZUXXTYRYCJVURK-OGLMXYFKSA-N 538.626 3.191 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1 409263804 CDGNQLXAROHCGY-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(CC)cc1 409268252 YKVYBXSRGPIFPY-STBIYBPSSA-N 512.607 3.047 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2cccc3ccccc23)c1 409380617 OMFJYAAAJHOKCQ-UIOOFZCWSA-N 586.553 3.154 50 40 KGGB CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O 4707104 DGOPINOGGYUGAU-ZEQRLZLVSA-N 522.473 3.308 50 40 KGGB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)CSc1nc2ccccc2s1 8820295 YBDHOFFPEMWFOX-XNTDXEJSSA-N 504.640 3.420 50 40 KGGB COc1c(O)ccc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1[N+](=O)[O-] 9514069 ZRERTPUBBVQQQD-KNGTWFMJSA-N 503.515 3.296 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccc(C)cc2)cc1 59885988 BJKJGJZYBSMWAF-STBIYBPSSA-N 552.653 3.253 50 40 KGGB CCCCCCCCC/C(CC(=O)N[C@H]1CCOC1=O)=N\NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 299817361 YRIITMQTGYYHQE-DNCKEOCOSA-N 537.727 3.147 50 40 KGGB in-vitro O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(I)cc2)C1=O)c1ccc(Cl)cc1Cl 408537362 VMORXCLOWQQVFT-WAXRZFIUSA-N 545.120 3.213 50 40 KGGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1OCC(=O)NCc1ccccc1 408612689 WYJYCHNIUDPOMM-KCSSXMTESA-N 516.598 3.280 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1 408613348 ZFOWGEXYRPEEMR-RPPGKUMJSA-N 539.814 3.495 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccccc2)cc1 408867517 LHUXXSXOOONUMC-TYBAKLTESA-N 564.664 3.015 50 40 KGGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(Br)cc3)CC2)cc1OC 408971898 LOZRSRZPFMNIHF-OEAKJJBVSA-N 510.410 3.017 50 40 KGGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(I)c2)n1 409237391 UGAVWNJIDZXWBA-CGOBSMCZSA-N 579.214 3.166 50 40 KGGB O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)NNC(=O)c1ccc(Br)cc1 36351081 FGANHKCDJMEQSO-UHFFFAOYSA-N 500.422 3.156 50 40 KGGB COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1S(=O)(=O)NCc1ccccn1 150448582 ASZIPPOVKAGHTL-UHFFFAOYSA-N 630.104 3.098 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 408837288 BPUNTPJJNHHAGB-VOWJQMTESA-N 629.533 3.469 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1cccc(Br)c1 408860527 XOUCDAAVIIPNJZ-CVKSISIWSA-N 559.442 3.383 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc(Br)c1O 408864437 VVZROGQMTQEWHX-ZMOGYAJESA-N 563.386 3.417 50 40 KGGB C#CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1I 408955191 OFAXDBXKURTYKL-OMXDSUCJSA-N 646.438 3.032 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccc(F)cc2)cc1OC 409120866 WPSYXVCGZHSNAS-ATZGPIRCSA-N 624.647 3.477 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OC)c([N+](=O)[O-])c2)Cc2ccccc2)cc1C 409373042 VVDJJGKHJQBAPH-YSMPRRRNSA-N 526.571 3.262 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 1529544811 ODZZKTZAWSGNTC-ZPBGBCLFSA-N 531.978 3.133 50 40 KGGB COc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc(OC)c1OC 16195182 SDYHRNGHCIGDKP-OVVQPSECSA-N 511.600 3.096 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1Br 408747170 JXILXYDKEKYAJS-ZVBGSRNCSA-N 547.143 3.378 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 408831593 RFSJJNQQLYYFSY-KBVAKVRCSA-N 564.595 3.460 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 408868613 NUYIAIKQUFGFMV-TYBAKLTESA-N 564.664 3.015 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(OC)c2)c(OC)c1 408956958 RWZIEEOOFUIVJC-YIBCAPORSA-N 630.452 3.089 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409165002 QUUOTVNJMLXXBU-KRMVEKAXSA-N 636.487 3.378 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 409250669 MKOUHXQOIYGTAE-LUOAPIJWSA-N 519.341 3.379 50 40 KGGB O=C(COc1ccc(Br)cc1[N+](=O)[O-])N/N=C/c1cc(I)ccc1O 3106901 GYFAMWOYJCSIBN-CNHKJKLMSA-N 520.077 3.197 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 19955547 GMLHSHORAARKPH-JVWAILMASA-N 527.599 3.375 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccccc2)cc1 59884978 QPSKBCRSINPVFK-TURZUDJPSA-N 567.624 3.176 50 40 KGGB O=C(N/N=C1/C(=O)Nc2ccc(Br)cc21)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 100505381 UXWBRXMWBARTEM-GRSHGNNSSA-N 533.338 3.421 50 40 KGGB O=C(NC[C@H]1CCCO1)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 101052710 BDONKWODKKTWLD-UHDSXZAQSA-N 514.214 3.022 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4C#N)C(=O)[C@@H]23)OCCO1 112256092 OWXYVRZKKBTFGW-WUFVBDPGSA-N 546.583 3.364 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 408842579 QOUVJWXFANDQNV-LQKURTRISA-N 538.626 3.246 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCC#N 409012403 HXYJQDXLQZKTAI-RAQUAXEKSA-N 526.506 3.099 50 40 KGGB O=C(NNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(Br)cc1 102929541 AAEOWWYIDYDYBV-UHFFFAOYSA-N 519.333 3.233 50 40 KGGB O=C(NNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 102995339 ILGFLHJIITVSJN-IBGZPJMESA-N 577.482 3.377 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccccc1C(F)(F)F 408686099 MKWORBUBDUJYAA-AAXDQBDMSA-N 570.156 3.109 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408779947 OIXJWMNCIOXWAY-MFKUBSTISA-N 512.544 3.266 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)o2)cc1 408833478 SNURDUYVHQOZIO-LGMDPLHJSA-N 504.474 3.396 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408869686 SZDDPGGZDHFWRF-RWPZCVJISA-N 568.677 3.493 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC(C)=O)c(OC)c1 408942539 GDWUPCIMZWZLDM-QHCPKHFHSA-N 619.494 3.268 50 40 KGGB CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1O 409114669 KUDXONMPOSXNJI-JVWAILMASA-N 527.599 3.149 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 409115073 JWBRNLYQWCTFPV-VOWJQMTESA-N 676.533 3.311 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2Cl)c1 409263117 HDPQGNKQLMSIAA-UVHMKAGCSA-N 509.390 3.392 50 40 KGGB COc1c(I)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] 59332874 SLPMPSGZEUVXCO-WJDWOHSUSA-N 518.311 3.464 50 40 KGGB CC(C)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@@]24OO3)C(=O)N[C@H](C(=O)O)C(C)C 102012935 JJGPCGCYAFOOBW-PMNNZHQTSA-N 596.718 3.274 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 409161427 XCNVYCOJPBCRIT-IPPBACCNSA-N 577.476 3.473 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1 409172844 GASJJCUXMUYKNH-NXUGVVLJSA-N 580.423 3.299 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770030 RUNMXJBOVPYRGX-IRLDBZIGSA-N 518.595 3.461 50 40 KGGB COc1ccc(Br)cc1/C=N/NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1 59443790 XAFSFAFYDNEPTH-YDZHTSKRSA-N 506.378 3.392 50 40 KGGB COc1ccc(Br)cc1/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1cc(Br)ccc1OC)C=2C#N 101005575 RJJADXABHHGLON-SCYLGRJTSA-N 600.292 3.403 50 40 KGGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408767396 WWBYWSHPSMXRLS-LPYMAVHISA-N 500.445 3.043 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)c(OC)c1 408825991 BXBKZMHWMKEZAI-MTDXEUNCSA-N 524.599 3.398 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c(OC)c1 408921654 BUVKKXOQJVOFNJ-FCRNLXMDSA-N 532.553 3.187 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409151744 HHQHWFCBASRODP-RPPGKUMJSA-N 578.407 3.053 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409166705 GCIBCXMWIOJSME-RPPGKUMJSA-N 578.407 3.053 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCCCC2)=C(C#N)[C@H]1c1cccc(Br)c1 409335305 UTUBKMYISXMUFK-RTBURBONSA-N 506.422 3.323 50 40 KGGB O=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccccc1I 994375 QJMKHQJVWUFIQT-UHFFFAOYSA-N 513.085 3.235 50 40 KGGB biogenic,in-vitro COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3cccnc3)C2=O)cc1 8820112 IJZPQVGRBDUFSH-RGEXLXHISA-N 512.613 3.091 50 40 KGGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc(I)cc1 20493211 HKYSTGUGEDUVMK-UDWIEESQSA-N 505.765 3.251 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103865068 KSCCNQUHBRPKIT-FSJBWODESA-N 552.338 3.239 50 40 KGGB COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1cccc(Cl)c1Cl 408605011 JMARBPQWTLOPJK-KBKYJPHKSA-N 515.781 3.267 50 40 KGGB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1 408652250 CANHRGQWRIVXOR-LJQANCHMSA-N 574.428 3.153 50 40 KGGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 408754850 LNXHJIDKWMEIII-YDZHTSKRSA-N 511.541 3.481 50 40 KGGB COc1ccccc1N(CC(=O)NN=C1C(=O)Nc2ccc(Br)cc21)S(=O)(=O)c1ccccc1 408773272 JQYAQFZWRCCQDS-UHFFFAOYSA-N 543.399 3.126 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 408876299 KQURDPBMLWBBLX-DFVFNMDZSA-N 536.654 3.422 50 40 KGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)cc(I)c1O 408907598 NXHJZCFAQXRGGA-CNPYVQQSSA-N 607.186 3.409 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccccc2Br)c(OC)c1 408947111 AICOFLWWRFSIQW-ORMFSKTFSA-N 545.390 3.178 50 40 KGGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccco2)c1C 409257029 RCFSYOOHENESPX-KKMKTNMSSA-N 527.375 3.443 50 40 KGGB CCCCOC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c1 408667936 UFWSSDNOQKEARH-UHFFFAOYSA-N 503.939 3.020 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCCCC2)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 409313759 DDELGWKBNNEPES-PMACEKPBSA-N 536.448 3.331 50 40 KGGB CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529548068 WSPXNEMDQLIBGH-SBLXYKOCSA-N 663.547 3.285 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529548509 HVTIASOZNMWOCZ-HIWKEIFESA-N 540.642 3.369 50 40 KGGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)c1 9232895 DYZNQVOJBCZCTK-RWPZCVJISA-N 504.543 3.427 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)c2cc(Cl)ccc2OC)cc1OC 20231874 KKBJJJRVRFYTLS-VULFUBBASA-N 518.979 3.106 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1C#N 59427756 YIBJFXPKPBLLQN-QPJQQBGISA-N 512.158 3.168 50 40 KGGB COCc1cc(C)n(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(=O)c1C#N 98087083 PBWOVLVGHRGSCQ-KKMKTNMSSA-N 510.392 3.495 50 40 KGGB COc1ccc(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(OC)c1 408676582 ATZSWEQYORWHEW-IGQFXSRTSA-N 515.360 3.466 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(OC)c1 408922902 HKQCIWIFNICTDW-SQAVDECTSA-N 626.258 3.256 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(Br)c2)c(OC)c1 408957268 TVDKAELFWYWQJO-OPLYUBKWSA-N 653.870 3.295 50 40 KGGB Cc1c(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)sc2ncnc(N)c12 408973186 JPUADPDSKXSNDQ-IPBDZQFASA-N 579.161 3.261 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(I)c1OCC(N)=O 408997785 IADJQHHGUHBGNY-POGXFMHGSA-N 640.475 3.114 50 40 KGGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C1/C(=O)N(C)c2ccc(C)cc21 14920357 OOMPMMUKOZPZPQ-HAVVHWLPSA-N 511.170 3.404 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)NC[C@H]1CCCO1 58881683 JXQIBPJUOXJTLQ-OJANRJRPSA-N 516.554 3.242 50 40 KGGB CC[C@@H](C)[C@@H](NC(=O)CCCNC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)C(=O)O 100623110 MKLSGYFZQOELAG-QDCSVHHLSA-N 582.691 3.030 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)cc1Br 408683944 NTQMLVQFROYYDJ-NRHSGRHJSA-N 621.120 3.326 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c(OC)c1 408947915 BQFUDCXVYSROMG-QJPXTZMYSA-N 534.491 3.434 50 40 KGGB Cc1ccc(OCC(=O)N/N=C/c2cc(I)c(O)c(I)c2)c([N+](=O)[O-])c1 101772600 LGNDFCHWWZYWDI-FBCYGCLPSA-N 581.104 3.347 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c(C)cc1Br 408691337 ZKMTUEOVPIUMAL-MUEHPZDASA-N 532.218 3.013 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3Br)S(C)(=O)=O)cc2)cc1 408842500 PSOQEHNIOZSGSI-JFLMPSFJSA-N 589.468 3.392 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1 408907508 PPHLVZKDBPSYPF-JVWAILMASA-N 509.584 3.201 50 40 KGGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)ccc1OC(=O)N1CCOCC1 8410153 VMRJXGRJXYSXIJ-QFIPXVFZSA-N 531.525 3.253 50 40 KGGB CCOCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1C 97980659 XVGZBDLFTJOMLG-NCELDCMTSA-N 569.728 3.165 50 40 KGGB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1 408683797 IWONRBDPVZJDEN-SAIKNWJPSA-N 517.365 3.461 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OC 408756036 XGAYZZMIRWATRY-DOUQRPAJSA-N 559.426 3.070 50 40 KGGB COc1cccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccc(C)cc2)c1 408780158 UCPHZOTVNPWHKS-UHFFFAOYSA-N 557.426 3.434 50 40 KGGB Cc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)c(C)n1-c1ccc(I)cc1 409000287 UWPMDOWKVDYUIW-CSEUCIRESA-N 689.551 3.468 50 40 KGGB C[C@@H]1[C@H](OC(=O)CCC(=O)NCCCC(=O)N[C@H](Cc2ccccc2)C(=O)O)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 102817060 GJLHYGAHXVIOTM-VFZACQFQSA-N 616.708 3.226 50 40 KGGB N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 253486924 BCOCWDQCPRYCFE-MHTWAQMVSA-N 519.311 3.376 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408687873 PMUATVOGSWVYJA-YBZCJVABSA-N 532.336 3.360 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)S(C)(=O)=O)cc1Cl 408865625 BPMDUJZKPDTGNX-MUFRIFMGSA-N 543.045 3.260 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1C 409155377 QYHXYCGIRBHOEA-PLUGIAEQSA-N 628.851 3.024 50 40 KGGB CCC(=O)Nc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(NC(=O)CC)cc2)cc1 8396896 ZANPFSJZWVKUBO-UHFFFAOYSA-N 566.659 3.337 50 40 KGGB O=C(N[C@H](C(=O)N/N=C\c1cccc(Br)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 34377718 URFDMCCXPYXRIE-IDEIYSCTSA-N 504.344 3.307 50 40 KGGB CC(C)[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100553114 XXXGUKWKJAIYRU-JEBSLRSFSA-N 541.236 3.215 50 40 KGGB COc1ccccc1NC(=O)COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1 408684381 JUSMFWASCNBIMY-IOXUAXACSA-N 517.365 3.461 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Br)s1 408940184 BYCZTMYGJZZOSA-IBGZPJMESA-N 537.461 3.396 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)c2ccccc2)cc1OC 409124442 HRRRXFPZLCJXEE-MTDXEUNCSA-N 524.599 3.398 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(F)c1 409137508 WVCZWKWOWLEKKC-AFUMVMLFSA-N 500.508 3.229 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409146584 USIHYLKXRZADNL-OGLMXYFKSA-N 556.641 3.133 50 40 KGGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1c(Br)cc(Br)c(O)c1Br 4132506 VNHLXWUVWJQXJQ-IFRROFPPSA-N 559.016 3.484 50 40 KGGB O=C(CCN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 100557573 XGUCYBSMXYOBLR-BJNHXUTASA-N 592.078 3.343 50 40 KGGB O=C(NN1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O)c1ccccc1[N+](=O)[O-] 408638841 TWMVLVKTUBONJQ-RDTXWAMCSA-N 508.314 3.165 50 40 KGGB COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)c1 408679359 DVDPNSYVEYAFAD-QYRJXPSASA-N 529.339 3.211 50 40 KGGB COc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408782898 LAZMREBTCGOAFA-UHFFFAOYSA-N 602.423 3.342 50 40 KGGB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408879349 FLANAXFIOMDXNB-VUTHCHCSSA-N 579.635 3.332 50 40 KGGB NC(=O)COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1Br 409001607 JKJFIVLFMNPLGJ-MMOHFDRGSA-N 523.387 3.325 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)Cc2ccc(Br)cc2)cc1 409019166 IJOFIVSYGMHDSE-AFUMVMLFSA-N 501.406 3.494 50 40 KGGB O=C(N[C@@H](C(=O)N/N=C\c1cccc(Br)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 34377719 URFDMCCXPYXRIE-WZRHPCBOSA-N 504.344 3.307 50 40 KGGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 34388571 NOEFACOVQJNIHX-RIYZIHGNSA-N 512.325 3.158 50 40 KGGB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)NNC(=O)c4ccccc4)CC3=O)cc2)cc1C 408657330 JLMLIXWPSQYFKE-NRFANRHFSA-N 501.539 3.453 50 40 KGGB Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408821824 KOLOVKDSULAKHR-FBHDLOMBSA-N 522.406 3.302 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 408830764 NOGQVDXAEOAWKV-RDRPBHBLSA-N 552.653 3.334 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1OC 408833355 UKMUFBDNXOZETH-WGOQTCKBSA-N 511.556 3.494 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccccc1Cl 409155645 QQSFAALDVBXSIX-PNQUVVCRSA-N 664.840 3.466 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409157365 QLRPNOPYWVHMCO-VVEOGCPPSA-N 552.971 3.170 50 40 KGGB CCCCN(CCCC)C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])/C(C)=N\NC(=O)C[N+](C)(C)C 5809915 UOAMPZWVUJHLKD-CQKAXJAZSA-O 522.627 3.158 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N2[C@H](C(=O)c3ccccc3)C(N)=C(C#N)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 104606858 FGLGJKKNZZNLNP-RPBOFIJWSA-N 531.550 3.287 50 40 KGGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2c(C)cccc2C)c(OCC)c1 408608383 HHKOPFBAPIDVIO-RPPGKUMJSA-N 519.396 3.068 50 40 KGGB O=C(NN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccc(Cl)cc1Cl 408645789 IIJFGRNEASTQIO-PIQGMWHKSA-N 510.997 3.416 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1ccc(Br)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408690547 VVADPJFIZOGZNR-KDAYCLEISA-N 607.093 3.097 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c2ccccc2)cc1 408858186 NJSBFDXBDJHAST-FDAWAROLSA-N 576.631 3.329 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1 408868081 NGPMQORSHKARFQ-RDRPBHBLSA-N 536.654 3.498 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c2)cc1OC 409154295 NJNIAURBBDWDHN-IBBHUPRXSA-N 556.978 3.323 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 409258259 SGWWMFDLZDJXCF-OKCVXOCRSA-N 522.533 3.017 50 40 KGGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2I)[C@H](C(=O)OC)C(O)=N1 8973552 MJAXWZKFQKEIAT-GJZGRUSLSA-N 500.314 3.166 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816786 AWZUFWXWLHIVFE-MFKUBSTISA-N 512.544 3.266 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2C(=O)O)c2cc(C)cc(C)c2)cc1OC 19956395 AQSBYLKUHYRWEU-JFLMPSFJSA-N 525.583 3.364 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1OC 59401504 JVOJTHAXKNTJNK-YDZHTSKRSA-N 510.410 3.247 50 40 KGGB O=C1Nc2ccccc2/C1=N\NC(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 102927757 ZXVPNZMALGCTFC-UHFFFAOYSA-N 587.686 3.497 50 40 KGGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 408833857 VZIJHZKMCGJKBF-JFLMPSFJSA-N 535.066 3.392 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(OCC)c2)c(OC)c1 408947679 BERNKRUPPAXJDM-GVYDMDKTSA-N 663.478 3.040 50 40 KGGB CCOC(=O)COc1ccc(Cl)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408949379 QUJQCYIYVGGZIC-RUZDIDTESA-N 589.070 3.167 50 40 KGGB Cc1cccc(OCCOCCOc2ccc(Br)cc2/C=N/NC(=O)Cc2nnc(N)s2)c1 408974393 YPCRCHIBFXQLJE-AFUMVMLFSA-N 534.436 3.358 50 40 KGGB COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc(OCCBr)c3)s2)cc1 2261975 AYLUWNIWBHPNHW-YDZHTSKRSA-N 518.393 3.266 50 40 KGGB O=C(COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccco1 100145278 YUELPBWVPZROHW-RGXNXFOYSA-N 574.659 3.359 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408830114 RFCCYFJLSUAGLA-JVWAILMASA-N 527.599 3.375 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1Br 408863018 KJTUNOUJLIHLKH-BHGWPJFGSA-N 521.359 3.450 50 40 KGGB Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1 408882546 OXYZKMLMDQOQHJ-OGLMXYFKSA-N 522.627 3.244 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC#N)c(OCC)c2)c(OC)c1 408951981 JLGUNZKMXKVJDB-GEPNNGOASA-N 600.028 3.370 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2c(OC)ccc3ccc(OC)cc23)c(=O)c1C#N 409003983 NAUOYIWPEIULBC-LUOAPIJWSA-N 527.375 3.258 50 40 KGGB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)NNC(=O)c1cccc2ccccc12)c1ccccc1 409382098 KYXKKJAROQJFKA-ZEQRLZLVSA-N 526.501 3.137 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1)NC1CCCCC1 59960150 QBTADDDFKSPWNJ-AFUMVMLFSA-N 501.381 3.366 50 40 KGGB C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc2ccccc2c1 100858437 ODJQTFWYROJWGK-NLRVBDNBSA-N 529.460 3.449 50 40 KGGB O=C(NC[C@@H]1CCCO1)[C@H](CCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408685805 ROIUNUFEKCGQEG-NRAJODKVSA-N 841.230 3.376 50 40 KGGB COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 408926896 WQPMIKKBKTUGIA-MFKUBSTISA-N 512.544 3.266 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc1OC 408980886 UAHGMWOHHOVXCD-MMOHFDRGSA-N 529.590 3.197 50 40 KGGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1 409142547 LUUGEYDTAXDLRZ-OEAKJJBVSA-N 520.352 3.032 50 40 KGGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCC(=O)N4CCOCC4)c(Br)c3)oc12 409370280 OCSOCDSOZNIJJB-DHRITJCHSA-N 516.348 3.205 50 40 KGGB CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)COc2ccc(OC)cc2)C1 8809836 VXJDBQFIYIZPDX-FQNOVECQSA-N 511.579 3.217 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1cccc(F)c1 103865207 LBMHKYRDMYDZEY-MXAYSNPKSA-N 541.361 3.190 50 40 KGGB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)NNC(=O)c1ccccc1Cl 408644051 CSDMPMFUOXPHLC-UHFFFAOYSA-N 517.163 3.479 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2ccccc2)cc1 408775130 ZDQJZIHZJMSDKY-UHFFFAOYSA-N 543.399 3.126 50 40 KGGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 408863676 PZTOVKHIOYCURH-CTOFZRSPSA-N 542.589 3.157 50 40 KGGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1)c1ccccc1 408998053 AAAQHQGANDLZEO-FQIOEHTJSA-N 569.352 3.091 50 40 KGGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1 3334509 XRKOPZPTKMMMEH-NDZAJKAJSA-N 573.631 3.095 50 40 KGGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(C)cc(C)cc4s3)cc2)CC1 8683811 IMLVCASAGOAUAF-UHFFFAOYSA-N 517.633 3.133 50 40 KGGB Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)c1 28213155 IXWKKNYRLHHFJL-JVWAILMASA-N 514.648 3.047 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2cccc(Br)c2)cc1 33353795 QQHFBJCYQYJISB-UHFFFAOYSA-N 527.400 3.425 50 40 KGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(I)cc(I)c1O 101708052 DNXSGJFJKFBZIF-CNHKJKLMSA-N 567.077 3.039 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cccc(Cl)c1Cl 408689974 ZYTOWCKOEQFXDX-ZNMQONGHSA-N 583.060 3.253 50 40 KGGB COc1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)ccc1OS(=O)(=O)c1ccc(F)cc1 408973644 NFQWOYBZPLZVMK-ZTAUZCEESA-N 525.558 3.068 50 40 KGGB Cc1cc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(C)c1 409157848 QJXNIFOUUUAPCF-DCPWPOBWSA-N 545.434 3.137 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1COc1ccc(F)cc1 17337390 MOJGBFIWYZEWSN-IPPBACCNSA-N 528.504 3.294 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)N/N=C3\CCS(=O)(=O)c4ccc(F)cc43)cc2)cc1 97980799 GTEATXSWOSRTPI-SLEBQGDGSA-N 529.615 3.266 50 40 KGGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(I)c1OCC(=O)O 408541183 BVLLAHXPWATGBE-ACAGNQJTSA-N 522.251 3.007 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC[C@H]2C)=C(C#N)[C@H]1c1cccc(Br)c1 409316672 ZIDSHSYOBFBABJ-ZNOIYHFQSA-N 506.422 3.321 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OCC)c1 1529549014 RWKFPQFBZPMEBO-JYJOXHSLSA-N 605.069 3.087 50 40 KGGB Cc1ccc(C(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1NS(=O)(=O)c1ccc(F)cc1 3307479 OCFUXVOILUGAQW-UHFFFAOYSA-N 539.541 3.190 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 28213030 GXRYHBDSKDXVTL-CVKSISIWSA-N 514.991 3.274 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 59857305 DUZFODBCHLJTCP-WGOQTCKBSA-N 541.586 3.024 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(OC(C)C)c1 408946993 NGJLINUXBAOLRM-XMMPIXPASA-N 510.616 3.359 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409165833 AMZFKANVPIIHIJ-SQTKOIFASA-N 601.376 3.239 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(I)c1OCC(=O)N1CCOCC1 409171976 ABJFQOKNKGLKFJ-KKMKTNMSSA-N 649.269 3.323 50 40 KGGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 3444114 QRZHNOMRJCEQPG-UHFFFAOYSA-N 517.482 3.269 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)c2cc(Cl)ccc2OC)cc1OC 20231863 YAMZJQQOQFRLFX-VULFUBBASA-N 518.979 3.106 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1 408648579 ZIOUNMPLADMGOZ-UHFFFAOYSA-N 517.966 3.410 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OCC#N 409012184 HXYJQDXLQZKTAI-MOYYISEASA-N 526.506 3.099 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC(=O)[C@@H]2C(=O)OC)cc1 409319360 FACMFYMKTJZNRM-WOJBJXKFSA-N 513.959 3.236 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)c1 59472853 CGWTYHUFSNYVCA-JVWAILMASA-N 509.584 3.201 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 100303356 XNSLFUGOMCPQDU-CVKSISIWSA-N 542.570 3.275 50 40 KGGB Cc1cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc(C)c1Br 408648501 YSQVRUPUYYXSJC-UHFFFAOYSA-N 510.772 3.442 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1cc(C(F)(F)F)ccc1Cl 408687562 PBIAZZDGVJZZOP-JUYHGQFASA-N 527.710 3.306 50 40 KGGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)cc1 408690627 WCWBNKUWADRRCV-ZOGCLFRTSA-N 544.391 3.411 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1O 408727260 DVEZXRZLIQHITI-CVKSISIWSA-N 558.569 3.062 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409153405 HXNRNYHFPCZWHA-GOCYDNRNSA-N 575.460 3.227 50 40 KGGB Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 3251329 HWAZWROLBMWAOI-OLDVOZSVSA-N 593.706 3.005 50 40 KGGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCN(C)CC2)cc1COc1c(Cl)cc(Cl)cc1Cl 97966618 HFHKNSYAUGZRGR-KLPHOBTLSA-N 649.927 3.292 50 40 KGGB CN1S(=O)(=O)N(C)P12(N=P(CP(=NP13(N(C)S(=O)(=O)N1C)N(C)S(=O)(=O)N3C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)N(C)S(=O)(=O)N2C 195499360 VCKAWRCNLNTSJZ-UHFFFAOYSA-N 962.957 3.393 50 40 KGGB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408662453 DJRSGFZLAHRJCZ-UHFFFAOYSA-N 503.939 3.020 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(OC)c1 408921940 CLMJMYGNTZJKLZ-WWLVVLNESA-N 593.549 3.202 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 408979317 MLOWLWNPOJIJCS-MTDXEUNCSA-N 541.626 3.105 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 409136196 RLLSIGAXJTZUKS-LQKURTRISA-N 573.624 3.084 50 40 KGGB O=C(N/N=C1\C=C/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 102412103 WWCCEFCAVJYMGZ-GHZUDOEKSA-N 500.471 3.383 50 40 KGGB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1O 103593717 YCLKKAKJLFESBO-CGOBSMCZSA-N 562.631 3.494 50 40 KGGB COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c(OC)c1 408686021 QZFMDVXPBIQGDV-BBCKRIEKSA-N 515.360 3.466 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 409256242 KVKDCYVCEPPIGT-VMJBBSNPSA-N 508.497 3.486 50 40 KGGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Nc3nc(SCc4ccccc4Cl)[nH]c(=O)c32)c2ccccc21 12361981 MPQKXOIDZRGYSO-RUZDIDTESA-N 500.971 3.101 50 40 KGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 19818104 FNJXWEXMINPKNL-ZCTHSVRISA-N 512.610 3.246 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)c2ccc(C)cc2)cc1 59884893 OJISUDOCHOZFEB-MTDXEUNCSA-N 567.624 3.094 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(OCC(=O)OC)c2)c2ccc(C)cc2)cc1 103900000 WCHLHLHINDECQT-OGLMXYFKSA-N 539.610 3.291 50 40 KGGB O=C(CNc1ccccc1)N/N=C/c1cc(I)c(O)c(I)c1 105503349 ZKGNAMSAOONMJX-UFWORHAWSA-N 521.096 3.164 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1 408863322 REXQXWIEKUJWBU-JFLMPSFJSA-N 589.468 3.392 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)ccc1OCc1ccccc1 409025653 XHMFPBOQADFUJA-WGOQTCKBSA-N 526.571 3.489 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1c(C)cccc1C 409155036 PIYPFIKJUYJVCJ-IURWMYGYSA-N 658.449 3.429 50 40 KGGB O=C(CSc1nc2ccccc2[nH]1)NNC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 8820404 VGBLSCQUDAPJIR-YKYHQJSKSA-N 509.638 3.260 50 40 KGGB C[C@H](C(=O)Nc1ccc(I)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102239569 HEQHKAOHQZEJFX-HRNUQJICSA-N 596.057 3.396 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1C 409259136 WUAFENMGQYCICA-OCSSWDANSA-N 518.570 3.186 50 40 KGGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)N(C)C)cc1I 59333519 JCBMZIXQZNIVRZ-WDZFZDKYSA-N 508.097 3.456 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)s2)cc1 100953322 PEUIAMCCICOYIS-BKHCZYBLSA-N 556.743 3.155 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 101005732 MKYHKGRHLRDZTI-UNOMPAQXSA-N 530.584 3.055 50 40 KGGB O=C(N/N=C/c1ccccn1)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)N/N=C/c3ccccn3)cc2)cc1 102978273 PFJFRIKSJKZKOK-IUUANVQCSA-N 566.574 3.161 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1 408614274 AKNZFLCMNBGNRR-RWPZCVJISA-N 502.999 3.301 50 40 KGGB O=C(COC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Br)cc1 408659824 PPPGFEGCOWTSDS-UHFFFAOYSA-N 517.163 3.479 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Br)c(Cl)c1 408682316 KUMZVNTYQJQQIR-JUYHGQFASA-N 627.511 3.362 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)S(C)(=O)=O)c(OC)c1 408860715 CMQGBGPUJWXZSI-VULFUBBASA-N 502.568 3.167 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 409153410 HXNRNYHFPCZWHA-POGXFMHGSA-N 575.460 3.227 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409271327 UVWNCHWPUATTKX-MUCBTXPYSA-N 531.009 3.118 50 40 KGGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc(OC)c1OC(=O)N1CCOCC1 709631 XOOUFYSBCKIWNP-FQEVSTJZSA-N 503.515 3.143 50 40 KGGB O=C(NNC(=S)NCc1ccco1)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 3322475 QDFXMTAOWINWCX-UHFFFAOYSA-N 509.407 3.152 50 40 KGGB COc1ccc(C2=CS/C(=C(\C#N)C(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)N2)cc1OC 102949347 JRWUZKSHKQMNCS-NHFJDJAPSA-N 520.611 3.189 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 408768214 CWSCQJBOPQAZHB-VUTHCHCSSA-N 547.637 3.229 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccccc2)cc1OC 409112026 ALMXGQNIXDCDKQ-AJBULDERSA-N 594.690 3.441 50 40 KGGB O=C(O)COc1c(Br)cc(I)cc1/C=N\NC(=O)Cc1ccc(F)cc1 409226743 SHNNIVSZHUJLSY-WNFQYIGGSA-N 535.107 3.349 50 40 KGGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)O)nc2ccccc2c1=O 1248622 NPICNOVWUGADCD-MZJWZYIUSA-N 502.552 3.400 50 40 KGGB O=C(CNC(=O)n1c(-c2ccccn2)nc2ccccc21)N/N=C1\C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21 50704534 QWISDRVPGJXOKB-DKJXEYTPSA-N 573.569 3.452 50 40 KGGB Cc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)S(=O)(=O)c1ccccc1 101886256 WMUMXMHYYHYMMN-OVVQPSECSA-N 537.598 3.085 50 40 KGGB O=C(N/N=C/c1c(Cl)cccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 105442822 XFUZAZQORAZDOY-JEWPKMHUSA-N 581.503 3.208 50 40 KGGB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1 408665934 MUMGZDQGYIAVRM-UHFFFAOYSA-N 548.390 3.129 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(I)c(OC)c2)cc1OCC 408747329 MGEDUWRDOWSAEB-FSJBWODESA-N 526.327 3.404 50 40 KGGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 408758630 OFGQSXNEFAVCAD-CVKSISIWSA-N 506.496 3.440 50 40 KGGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408765555 MCAYXRWZLHJJIB-JFLMPSFJSA-N 536.522 3.448 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408773717 SGRUVOVYHTWAAY-MTDXEUNCSA-N 524.599 3.398 50 40 KGGB COc1cc(/C=N/NC(=O)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)c([N+](=O)[O-])cc1OC 408976618 BGFWUKABNFLKRD-QZLJHNFXSA-N 526.571 3.480 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 59646202 HGPYHUASVABKHU-RWPZCVJISA-N 568.677 3.493 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@@H](C4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408683943 JELZZZYLQHOCCZ-PAQFTFEBSA-N 537.572 3.234 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1 409266551 ZWCYYQNZGBPZBA-VFLNYLIXSA-N 522.945 3.161 50 40 KGGB C[C@H](Sc1nnc(S[C@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)s1)C(=O)N/N=C/c1ccc2c(c1)OCO2 100953328 JQCIKJJLHFINRL-CDDUVCGFSA-N 586.677 3.257 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 408687555 PBIAZZDGVJZZOP-DQOWRFHUSA-N 527.710 3.306 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@@H]4Cl)[C@@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408687862 PMUATVOGSWVYJA-JXYJOFSCSA-N 532.336 3.360 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409263008 GOMFNPSZZVRNAH-VMJBBSNPSA-N 508.497 3.486 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)ccc1OCc1ccc(F)cc1 97966620 SFMXFCOKHRTMPE-FJEPWZHXSA-N 563.594 3.099 50 40 KGGB Cc1cccc(NCC(=O)N/N=C/c2cc(I)cc(I)c2O)c1 98001480 XKQCSDIVQXBULT-DNTJNYDQSA-N 535.123 3.472 50 40 KGGB CC(C)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@@]24OO3)C(=O)N[C@H](C(=O)O)C(C)C 102012944 JJGPCGCYAFOOBW-ZWQHIXPNSA-N 596.718 3.274 50 40 KGGB O=C(NNC(=O)[C@H]1[C@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)c1ccc2c(c1)OCO2 102188401 YMGDEUYITCOKSP-JSVASHEJSA-N 550.993 3.339 50 40 KGGB COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 102978856 WJNRPKCPALBFCE-NRFANRHFSA-N 533.541 3.152 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OC)cc1Br 408954805 ZRTDAZDTIWFAMD-QHCPKHFHSA-N 591.484 3.351 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c2ccccc2OC)cc1 409024010 GWCJCWXCUQRAAD-AJBULDERSA-N 594.690 3.441 50 40 KGGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc2OC)cc1 409150979 FQLMAJBREWXMQJ-WEPAEKJRSA-N 549.422 3.239 50 40 KGGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(OCC(=O)N4CCOCC4)cc3)oc12 409225160 JMROPUSNMOGRJN-DHRITJCHSA-N 516.348 3.205 50 40 KGGB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C\c1ccc(OC)c(OC)c1OC)Cc1ccccc1 409371538 HCEZFPFJEGBQKF-NTFVMDSBSA-N 541.626 3.371 50 40 KGGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCc2c(F)cccc2Cl)c(OC)c1 408602355 DCYIPCDAKBDDGP-KBKYJPHKSA-N 530.778 3.432 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)c2)cc1 408680669 DOCBWMRNGQJZGD-ZRNYENFQSA-N 533.364 3.383 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)NN=C1C(=O)Nc2ccccc21)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408728843 VGMPALOBSLRASB-UHFFFAOYSA-N 557.972 3.233 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OCC#N)c(OC)c1 1529548107 XUROODLMKLBQBT-OMHXNGIESA-N 616.494 3.245 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 59443915 DXVHRXFVNVUKHW-TURZUDJPSA-N 525.627 3.486 50 40 KGGB Cc1ccc(S(=O)(=O)n2cc(/C=C(\C#N)C(=O)Nc3ccc(S(N)(=O)=O)cc3)c3ccccc32)cc1 100587753 GMKAEAXQTBXQKL-NBVRZTHBSA-N 520.592 3.380 50 40 KGGB CCOC(=O)C1=C(CSc2nc(C)cc(N3CCOCC3)n2)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1OC 100986201 VEEKOZZOCUYXQX-JOCHJYFZSA-N 553.641 3.056 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCC(=O)N1CCOCC1 409154280 OFWAZUFDQUOBLS-OGLMXYFKSA-N 536.610 3.401 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(CC)cc1 409166250 CJDDUCGBZFNWNB-NVBQYMCLSA-N 622.460 3.015 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409168204 LGYFIPRMXDMDOL-WKULSOCRSA-N 616.412 3.092 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC 409374238 ZIRAVIVAXGGIFW-FMCGGJTJSA-N 555.325 3.233 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccccc1OC(C)C 1529548883 OWNASZNWBOYUGN-SIMLIIDHSA-N 510.616 3.359 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)ccc1O 19950522 WLKALWLZXSSMRW-WGOQTCKBSA-N 513.572 3.154 50 40 KGGB COc1cc(C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)ccc1I 408747714 RWJXPMNXVQSLNU-UFWORHAWSA-N 552.106 3.383 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(C)c1C 409155991 JTFZFVYBGKINGW-MUCBTXPYSA-N 622.460 3.070 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409271104 JSMVTSQPBBFENI-LUOAPIJWSA-N 519.341 3.379 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)cc1 16678477 DIXFDAKVRLGJBZ-PWDRKSFLSA-N 507.591 3.253 50 40 KGGB COc1cc(/C=N\NC(=O)Cn2ccc(C(F)(F)F)n2)ccc1OS(=O)(=O)c1cc(C)ccc1C 33377075 QSCVOOFBXRPCOT-ZRGSRPPYSA-N 510.494 3.445 50 40 KGGB CCOc1cc([C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCCN1CCOCC1 103702560 QRFNUAULCZTWRZ-RPLLCQBOSA-N 574.682 3.457 50 40 KGGB Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1Cl 408678773 BYEXYSWYINGJHV-MVXJNQHVSA-N 576.669 3.298 50 40 KGGB COc1cc(C(=O)N/N=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)ccc1I 408746792 HDJDDPAYUSXPIN-ODCIPOBUSA-N 518.691 3.189 50 40 KGGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1Br 408774443 XEZYQCXFPMUDPH-KSEXSDGBSA-N 584.246 3.372 50 40 KGGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)o1 408825302 RWUUTFFILDCPQK-VYZASOGQSA-N 559.044 3.069 50 40 KGGB C#CCOc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1[N+](=O)[O-] 408944142 IMAGFZHZGUZWQS-HSZRJFAPSA-N 630.477 3.254 50 40 KGGB C#CCOc1cc(Br)c(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408958399 YMFDDPJNWATHNR-VUCPWBMJSA-N 629.464 3.198 50 40 KGGB O=C(O)COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1I 408962927 WCLJYJDIZXRPKU-DNTJNYDQSA-N 509.212 3.173 50 40 KGGB O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1)Nc1ccc(Br)cc1F 409152790 GIOVZJFELJKKGD-XKJRVUDJSA-N 571.359 3.101 50 40 KGGB CCOC(=O)Cn1cc(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 1529549280 XADGOYNGTFYMHD-ZXWDWVQISA-N 577.663 3.089 50 40 KGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H](C(=O)OC)C(=O)N1 2312304 DQPGIOZFGMUAJH-PKTZIBPZSA-N 539.610 3.384 50 40 KGGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 2636328 KFDWFQCFVJIAGV-UHFFFAOYSA-N 544.489 3.038 50 40 KGGB O=C(N[C@@H](C(=O)N/N=C/c1cccc(Br)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 9065110 URFDMCCXPYXRIE-ODDBZWQPSA-N 504.344 3.307 50 40 KGGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408683360 LHPLSYYODXAIOM-JQDOTXQISA-N 521.589 3.464 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 408775602 INGHHRIJYUHAHV-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB C=CCOc1cccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1 408856345 FXFUAPWTPPPPLD-TWKHWXDSSA-N 559.648 3.395 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 408861432 AJDWNSQKARLYOK-JVWAILMASA-N 509.584 3.201 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cn(C)c2ccccc12 408948854 PWWDEOBHPLJLDX-DEOSSOPVSA-N 505.600 3.063 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc(Br)c1OCC(N)=O 409003732 UNXFLHWESIRDPK-FEYQCKCBSA-N 729.391 3.356 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(O)c(OCC)c1 1529548487 HJYBINIKIJECQL-YDHBKFOLSA-N 547.033 3.329 50 40 KGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc(OC)c1OC(=O)N1CCOCC1 98003567 PXBCDUKHBZOGPE-HXUWFJFHSA-N 548.512 3.051 50 40 KGGB CSCC[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 103551944 IBJXLVDWIALGNG-WDBLWHFESA-N 573.303 3.312 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)cc1 408682820 HAXFRCOTTNHZIG-QYRJXPSASA-N 517.365 3.461 50 40 KGGB CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)cc1O 408731555 NQLJIRLGSDMGEA-LSHDLFTRSA-N 504.912 3.149 50 40 KGGB N#C/C(=C/c1ccc(OCC(=O)O)c(I)c1)C(=O)N1CCN(c2ccccc2)CC1 408780592 FUKYTRBAMCVWKX-ATVHPVEESA-N 517.323 3.010 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3cccc(Cl)c3)o2)Cc2ccccc2)cc1 408803131 LMLWXIZHUHYION-FABQOPTDSA-N 665.128 3.488 50 40 KGGB CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)N/N=C/c1ccc(OCC#N)c(Br)c1 409012135 HSKWMIXACPAZJQ-BPDXMKQKSA-N 561.349 3.463 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1 409257662 RQLQVSQNTCESOE-WKULSOCRSA-N 524.961 3.141 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(I)c(O)c(OCC)c1 1529547977 UFQHBLSHMLRCQG-BOGNPUBTSA-N 638.484 3.281 50 40 KGGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(O)c(OC)c3)nc3ccccc3c2=O)cc1 1478406 GQTJJPORVJNARJ-MZJWZYIUSA-N 520.567 3.360 50 40 KGGB N#Cc1ccccc1OCC(=O)N/N=C/c1cc(I)cc(I)c1O 4018491 VKIIFWWKHKXMHK-DNTJNYDQSA-N 547.090 3.002 50 40 KGGB CCCNC(=O)C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 15133785 VGGGDBVUBNDLFZ-NYSXIVHNSA-N 520.589 3.174 50 40 KGGB CSCC[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101229486 IBJXLVDWIALGNG-KRTMBEFCSA-N 573.303 3.312 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 408978760 JVKFGGPIULQZSM-QMFOPCRCSA-N 523.611 3.497 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)Cc2ccccc2)cc1OC 409120480 VXXNIWDHVYCCBN-LQKURTRISA-N 557.625 3.071 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816847 HQFVZWIMPHQEPL-CVKSISIWSA-N 511.556 3.056 50 40 KGGB O=C(NNC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccccc1 409380639 AISYLLYTWNPEAH-WOJBJXKFSA-N 545.331 3.290 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1 1529548243 ZOSWJGPKVWLZCH-NYSBMRNASA-N 639.912 3.451 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(=O)(=O)c2ccccc2)c(OC)c1 59436899 DFWGNQIGAIFYGW-MTDXEUNCSA-N 524.599 3.398 50 40 KGGB COc1cc(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@H](c2ccc(OC(C)C)c(OC)c2)C=3C#N)ccc1OC(C)C 102662750 AJWIGLCUBHJZNL-DAPSBZEUSA-N 558.660 3.453 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)cc1 408825755 FOXWDVXFOYZHMU-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OC 408942712 GRFAFDCDWFIFGH-JOCHJYFZSA-N 638.484 3.193 50 40 KGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(OC)cc3)cc2)S(C)(=O)=O)cc1 409028098 KAZCCBBUWRBRBA-OGLMXYFKSA-N 538.626 3.191 50 40 KGGB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C(=O)NNC(=O)c2ccc(C)cc2)C(C)C)cc1 13633708 UFRSOIXASORVBM-DEOSSOPVSA-N 502.571 3.472 50 40 KGGB O=C(NNC1=C/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2C1=O)c1cccc(O)c1 101027821 XFXLKMHSBPQILG-OOAXWGSJSA-N 526.368 3.348 50 40 KGGB O=C(N/N=C/c1ccccc1OCc1ccccc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408864480 WIIXVYKHFNENTQ-PDQROTASSA-N 618.737 3.480 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1)c1ccc(Br)cc1 408871019 XCSNEUZPFQUETE-LQKURTRISA-N 573.469 3.061 50 40 KGGB O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cc(Br)cc(I)c1O)OCc1ccccc1 408992978 VIIFWTAOIAUMMT-TXIUCGALSA-N 612.222 3.470 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409118181 NJQUZKKHQWQYDC-MUFRIFMGSA-N 603.650 3.092 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409165840 AOEDSXNLYJZBDZ-ICPJCJOJSA-N 537.400 3.155 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1 409169119 PWVFQVPGEADFRO-VFLNYLIXSA-N 567.396 3.270 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(I)c1OCCOc1ccc(C)cc1 1779057 ALFPTIQPLQTEBH-WYMPLXKRSA-N 567.409 3.193 50 40 KGGB O=C(CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101006195 HOOIGBUWESTKEY-NVMNQCDNSA-N 531.528 3.356 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2C)c(OC)c1 409252126 QQVDIICZQPCWCA-FCUAXUHVSA-N 519.396 3.148 50 40 KGGB CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cc2OC)cc1 409266536 ZRIGIXRIJMWPEI-OCSSWDANSA-N 502.571 3.350 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770111 NHEKJUHQUABANC-CTNGQTDRSA-N 504.568 3.152 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1OC 19955590 VPEBIEROVOFCRN-MFKUBSTISA-N 512.544 3.266 50 40 KGGB CSCC[C@H](C(=O)N1CCCCCC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408688771 XKNADNFDFSDNMB-NOCMYWHHSA-N 536.330 3.289 50 40 KGGB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NN=C1C(=O)Nc2ccc(Br)cc21 408774286 BXMAHKNDONKBIX-UHFFFAOYSA-N 558.370 3.025 50 40 KGGB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 409388732 VWTDDHLBLCADKK-CLJLJLNGSA-N 613.579 3.446 50 40 KGGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)NCc2ccco2)c1 408613259 YMIQICZBYFDASG-RPPGKUMJSA-N 513.348 3.135 50 40 KGGB C[C@H](C(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408656430 MIYYYRLDSAAQBA-FSJDBSJESA-N 534.399 3.429 50 40 KGGB COc1ccc(CC(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)cc1 408684726 NUZWUQCJGOUJOM-HSEQCXDYSA-N 543.366 3.140 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1)NCc1ccccc1 408837699 LLHOTRWFWIZIPJ-BIZUNTBRSA-N 557.632 3.122 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c(OC)c1 408939663 BEPWOKDNAZALCS-BDWZVBCLSA-N 588.459 3.244 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1 409112622 FHEYETSNROLUBR-MTDXEUNCSA-N 541.626 3.105 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(Br)cc1 409155086 LOYAPFOVMYAGBE-LUOAPIJWSA-N 655.243 3.439 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)c(OC)c2)cc1 409167170 HPYGKSAHVODWSM-WKULSOCRSA-N 569.412 3.250 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1O 633404 QOZCGRRJMIMDMY-CNPYVQQSSA-N 516.801 3.120 50 40 KGGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(/C=N\NC(=O)C(=O)NC3CCCC3)o2)cc1 58951172 PJNVQLAQLGTPKL-QRQIAZFYSA-N 522.627 3.488 50 40 KGGB Cc1cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)c(C)cc1Br 408661772 HQHFCGQSHCBCKA-UHFFFAOYSA-N 510.772 3.442 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408828676 IOXQMALLVSIRLV-OCSSWDANSA-N 582.679 3.261 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccc(Br)c(C)c1 409158114 SCPBJKPARJWQHG-KKMKTNMSSA-N 543.374 3.143 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(C)c(C)c1 409160653 VLBDDTMREHMIAN-IURWMYGYSA-N 658.449 3.429 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCCCC2)=C(C#N)[C@H]1c1cccc(Br)c1 409334654 UTUBKMYISXMUFK-MOPGFXCFSA-N 506.422 3.323 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)c1 59472856 UMUXHPRWCHQTNA-JVWAILMASA-N 509.584 3.201 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408690604 WBEHUTGKNBCFOQ-LVEBTZEWSA-N 570.156 3.109 50 40 KGGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3cc(Br)c(O)c(Br)c3)C(=O)NC2=S)cc1 408762820 MJFAQFKKRMXFPQ-AANZYVJJSA-N 554.220 3.005 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(CC)CC)c(OC)c1 408953662 MGNWYJRIEWUWDF-IRSOAJISSA-N 582.614 3.170 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(OCC)c1O 408957684 VLZGIOCRRYLFJR-ZLLCIIDXSA-N 566.611 3.248 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)c1 409028155 KPUKNKLMJXXOFL-JVWAILMASA-N 509.584 3.277 50 40 KGGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 409185261 VDQZLELDAHPADS-KEBDBYFISA-N 519.215 3.137 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cccc(OC(C)C)c1 1529548754 NGJLINUXBAOLRM-GMSRUEHWSA-N 510.616 3.359 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(I)c1OCCOc1cccc(C)c1 2613073 RIVRPARTYPBRGJ-WYMPLXKRSA-N 567.409 3.193 50 40 KGGB C[C@@H]1[C@@H](OC(=O)CCC(=O)NCCCC(=O)N[C@H](Cc2ccccc2)C(=O)O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 102817059 GJLHYGAHXVIOTM-YADNFCHOSA-N 616.708 3.226 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408769669 YWOHJFJDBKAOKI-JVWAILMASA-N 509.584 3.444 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1 3311458 REYGPCFSKBKHCW-UHFFFAOYSA-N 526.011 3.232 50 40 KGGB CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 408862669 HJOZJYRZWJXIHW-MAKCPWPFSA-N 509.968 3.187 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1CSc1ncccn1 13076290 SZJOUIUXHIPMJT-LGJNPRDNSA-N 506.009 3.232 50 40 KGGB COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)CC1 100290105 OLBIYDGFRFQYIJ-UXHLAJHPSA-N 550.015 3.165 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 105673403 FFHFZJLSJHPHPU-JVWAILMASA-N 543.598 3.075 50 40 KGGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408952409 KGDAOYJTWUVMCR-XMEUFVCPSA-N 690.491 3.431 50 40 KGGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 409158389 LBJARPHUQAUSKG-HJQVIKLGSA-N 510.419 3.248 50 40 KGGB Cc1cc(C)cc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c1 409165061 RWHXFXRPRIZZCR-CCVNUDIWSA-N 547.450 3.465 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(I)cc1 1529544666 KYOIURQENONRNX-PXYXSCDOSA-N 578.432 3.176 50 40 KGGB O=C(CCN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 8449619 XGUCYBSMXYOBLR-UBXVHVAWSA-N 592.078 3.343 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccc(F)cc1 100263570 JJBGZZLDGGPOQJ-DHRITJCHSA-N 541.361 3.190 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1F 408869698 SXAUQSXRZZYOTB-MZJWZYIUSA-N 532.981 3.413 50 40 KGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1 409318783 YDEPXQBCDGGNDF-FCHUYYIVSA-N 507.568 3.145 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(OC)c([N+](=O)[O-])c1 1529547954 SGKTYVKDPQMJRJ-RLKVMJCBSA-N 606.455 3.251 50 40 KGGB Nc1nc2ccc(C(=O)NNC(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)cc2s1 13146141 LNPRXIGPUOESJK-UHFFFAOYSA-N 501.977 3.408 50 40 KGGB CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1 98048560 LMFGZXWQFMKKGH-XMMPIXPASA-N 555.682 3.444 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1)NNC(=O)c1ccc(Br)cc1 408685606 LUJCVBVBWRPMOZ-VJQWSGFBSA-N 609.260 3.037 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OC)c(OCC)c2)c(OC)c1 408921415 ABWZZOWASKFYMK-OHPKEMRTSA-N 666.469 3.427 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1OC 409109790 LLRHJLAADSDARF-LQKURTRISA-N 554.625 3.012 50 40 KGGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)c1 409152510 FMFJPICXFYXEMU-RWPZCVJISA-N 504.543 3.427 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1cc(C)cc(C)c1 409153737 DXJFETWSBNRFHA-IURWMYGYSA-N 658.449 3.429 50 40 KGGB Cc1ccc(C)c(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C[C@H]3[C@@H](Br)[C@H]2Br)c1 4178388 CVSLOFTYQTXNNZ-SVBUTHHQSA-N 541.236 3.197 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 408945328 KLXMPPDWXNJTNY-NRFANRHFSA-N 531.978 3.133 50 40 KGGB O=C(NNC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccc([N+](=O)[O-])cc1 409380396 MGWLAUGTAVIFHJ-WOJBJXKFSA-N 590.328 3.198 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1 1529547998 VANLMXHAMJTQTB-UGZOUUKJSA-N 595.461 3.342 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(Br)c1OCC(=O)Nc1ccccc1 408607837 FEPJMSMYMXPSBD-LGJNPRDNSA-N 519.396 3.088 50 40 KGGB COc1ccccc1NC(=O)COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1 408683793 IWONRBDPVZJDEN-IOXUAXACSA-N 517.365 3.461 50 40 KGGB Cc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)cc1 408778351 FATYPAJQZWMYLC-UHFFFAOYSA-N 527.400 3.425 50 40 KGGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)c(OCC(N)=O)c(OCC)c1 409003560 SQLONQQLRDXHTQ-YJHJRWQXSA-N 574.432 3.001 50 40 KGGB CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 409244325 BBGAAWQWDKGYQN-AUWJEWJLSA-N 536.282 3.279 50 40 KGGB CC(C)(C)c1ccc(C(=O)NNC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 12576708 CFSNLDIIOPJHBQ-UHFFFAOYSA-N 503.621 3.055 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)o2)cc1 408851274 AVUZXXZPZUQEAB-AFDUHFSSSA-N 514.538 3.496 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)c(OC)c1 408923746 LMSVZYWJCRPACQ-NIXKDODNSA-N 734.285 3.330 50 40 KGGB CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 409001361 IAHKOJBEMQQIKA-VGWPDINPSA-N 624.698 3.330 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1OC 409170802 XTTLUBVKGLSOQT-VTNSRFBWSA-N 546.624 3.456 50 40 KGGB O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 8435230 YEFIMEXOXYCEOV-XXHWPNEESA-N 520.414 3.038 50 40 KGGB N#CCCCN1C(=O)/C(=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)c2ccccc21 8842977 UHJOAVOKNDLFPT-OTPCOCMLSA-N 521.533 3.357 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1ccc(OCc2ccc(I)cc2)c(I)c1 103864666 JLZMKCSSOFCWII-FMCGGJTJSA-N 605.214 3.257 50 40 KGGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCc1ccc(I)cc1 103864797 FTFFUANXEVGUBB-MSXFZWOLSA-N 543.789 3.315 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1ccc(Oc2ccccc2)cc1 408684085 JKTDTWGGYMOHBL-QKIVABDASA-N 517.365 3.426 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4C[C@H](Cl)[C@@H](Cl)C[C@H]4C3=O)cc2)cc1 408685877 MCMMNXWDWABPFO-ZRNYENFQSA-N 533.364 3.383 50 40 KGGB COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c(OC)c1 408686023 QZFMDVXPBIQGDV-IOGQTDPRSA-N 515.360 3.466 50 40 KGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 408872858 KFWWJJLJLGTHLM-OGLMXYFKSA-N 522.627 3.320 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)OC)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027138 AOVCOORGMBOGMM-OGLMXYFKSA-N 555.609 3.235 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 409313685 QOYVDUJPXBOCIX-VQTJNVASSA-N 513.959 3.236 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1I 409374036 YBNZHZOKIMOCFJ-YVNNLAQVSA-N 637.168 3.439 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br)N1CCOCC1 409376831 BOGYOAINLLNPFB-RDRPBHBLSA-N 552.425 3.073 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 1529547916 RMQPINNUGXKKJR-UFIDKHRZSA-N 633.521 3.276 50 40 KGGB COc1ccc(Br)cc1/C=N/NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O 20211989 CBHRAIOPGVSJPI-UFFVCSGVSA-N 504.790 3.036 50 40 KGGB COc1cc(/C=N\NC(=O)CCCCCC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 104224781 MAAVAHOGYPTIKK-QRMZFMMFSA-N 544.605 3.289 50 40 KGGB COc1ccc(/C=N/NC(=O)c2c(-c3ccc([N+](=O)[O-])cc3)nnn2-c2nonc2N)cc1CSc1ccccn1 110292067 KGKOPLVMEMIAQN-XODNFHPESA-N 572.567 3.268 50 40 KGGB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21 199430348 ZJYRWSWFSOMKIA-UHFFFAOYSA-N 543.580 3.477 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)cc(OC)c1OCC#N 408949690 RKUCPDZDHPVFOG-HSZRJFAPSA-N 663.494 3.087 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1ccc(Br)cc1F 409155662 QUPZOWPLOIBZLR-XKJRVUDJSA-N 571.359 3.101 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1C#N 1502028 LZHTWPRNAQAFBB-QPJQQBGISA-N 512.158 3.168 50 40 KGGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1 2149575 WQKBLGUKZGYKQG-PCLIKHOPSA-N 521.580 3.251 50 40 KGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccc5c(c4)OCO5)c(=O)c32)cc(OC)c1OC 2245935 QSXVEXLADISEAJ-HSZRJFAPSA-N 503.511 3.178 50 40 KGGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 8819335 UXBZHTKAKLTVGD-YVLHZVERSA-N 503.518 3.246 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 20233358 MLKXEMUKUCTVKP-YDZHTSKRSA-N 518.573 3.328 50 40 KGGB O=C(N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccc(Br)cc21)c1ccc(F)cc1 101090459 YAIKEVIXMKMQOU-WPQUKBLESA-N 564.415 3.307 50 40 KGGB COC(=O)c1cc(C(=O)OC)c(C/C(=N\NC(=O)C[N+](C)(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)nc1C/C(=N\NC(=O)C[N+](C)(C)C)C(=O)Nc1cccc(C(F)(F)F)c1 150441200 ZBBWYPUMHWSWHM-UHFFFAOYSA-P 881.832 3.412 50 40 KGGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NC[C@@H]3CCCO3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 408826151 BQFNUNWXDGJGFJ-CHZCIXPMSA-N 552.653 3.033 50 40 KGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OCC 408956221 PXYPKLMFHRHYHH-XMEUFVCPSA-N 599.040 3.479 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1)Nc1ccccc1 409001851 LCOHPNFYLHGQJI-LHDZSEQTSA-N 540.580 3.415 50 40 KGGB Cc1cc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)ccc1Br 409160142 PRBNDCMYWXMUHC-VFLNYLIXSA-N 567.396 3.270 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)cc1 409170256 TZVROFDYEBEFQV-FJEPWZHXSA-N 538.988 3.450 50 40 KGGB COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccc(OC)cc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409320743 DYVWKDUXQJXAGC-LEWJYISDSA-N 544.427 3.245 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(CC)CC 1529549239 WPJXINYYLVFKKY-HIWKEIFESA-N 568.656 3.326 50 40 KGGB N#CC1=C(N)C(C#N)(C#N)[C@]2(C(=O)Nc3ccc(Br)cc32)[C@H]2CN(Cc3ccccc3)CC=C12 17180177 KCZAZZNAOXLEEO-LVXARBLLSA-N 511.383 3.481 50 40 KGGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccc(C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 102577770 QHSQRLCGUPUJRX-UHFFFAOYSA-N 584.501 3.445 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 408753071 LGIXSJXZTSVHRG-RGXRWQALSA-N 574.637 3.124 50 40 KGGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408777122 VPDBPUZILJMYGX-NVJOKUIPSA-N 546.367 3.247 50 40 KGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 408872721 OXZZVHYIIIACPH-YZSQISJMSA-N 509.544 3.289 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OC(C)=O)c(Br)c1 408948555 PLTBEESGBUKRLH-HSZRJFAPSA-N 589.468 3.259 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1cc(Cl)ccc1C 409161362 UDGVHSXBBJUAOV-MFYUCYCASA-N 581.851 3.182 50 40 KGGB CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)CC1 13811084 XRERJSZMAZRSGY-PTGBLXJZSA-N 513.598 3.048 50 40 KGGB COc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=S)Nc3ccc(F)cc3F)ccc2OC)c(OC)c1 102994548 DWXPCIDEFCTDBZ-UHFFFAOYSA-N 552.581 3.423 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1O 408754347 MVIDXEZIQXFVHO-AOOMUMSASA-N 512.426 3.315 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1)S(C)(=O)=O 408841538 JNWONNNTDMMGOR-LQKURTRISA-N 538.626 3.246 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(Cl)c3C)c2)cc1OC 409168228 LQXRRLORCMQAGK-WCMJOSRZSA-N 553.015 3.492 50 40 KGGB C#CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 1529548103 XSZIMIVECLEQDW-WIGBRQBFSA-N 585.480 3.346 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1 16362418 CHGXYSOMNZHXSH-DICXZTSXSA-N 509.632 3.440 50 40 KGGB O=C(CCN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)OCC(=O)c1ccc(Br)cc1 100557570 XGUCYBSMXYOBLR-DBRRIZINSA-N 592.078 3.343 50 40 KGGB N#CC1=C[C@@H]2[C@H]3C(=O)N(c4cccc(Br)c4)C(=O)[C@H]3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N2C=C1 103558624 VOZLIOSVTCAVIP-XRXFAXGQSA-N 519.311 3.376 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408770975 CYAULEMVKRCZQV-MFKUBSTISA-N 512.544 3.266 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409126249 NKRZCMTXVQDMQK-JVWAILMASA-N 557.581 3.203 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(=O)(=O)c1ccc(C)cc1 409330762 MJUSJESJZURFQB-ZZIIXHQDSA-N 527.002 3.349 50 40 KGGB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(CSc4nncn4C)cc3)c2)c1 2634689 RSDCBUSCRKFGDN-UHFFFAOYSA-N 536.639 3.291 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)c1 100334545 KBXOGNZAASAZTH-MTDXEUNCSA-N 538.626 3.046 50 40 KGGB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 101228550 RZZDHBZNOFPSHM-UPKLHASBSA-N 541.236 3.276 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1)S(=O)(=O)c1ccccc1 103900377 AWCDPXKLIWQMAK-STBIYBPSSA-N 552.653 3.253 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408837462 GBIUAYPXLPMLBN-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccc([C@@H]4NC(=O)NC(C)=C4C(=O)OC)cc3OC)o2)c1 408922040 DOMOJLPNZKJFIO-XBLJSKHHSA-N 590.589 3.462 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC#N)c(OCC)c2)c(OC)c1 408954888 NPXOVYLWXXRCCY-FKFLJXRVSA-N 644.479 3.479 50 40 KGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1)c1ccccc1 409004237 XAPRIVRNFBHNER-KZKMUKRCSA-N 522.352 3.249 50 40 KGGB COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 2215963 OILXYSYKRIDDLL-HSZRJFAPSA-N 538.626 3.301 50 40 KGGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)N/N=C/c1ccccc1O 3118028 FXSZSNSBWRSIRX-BUVRLJJBSA-N 505.618 3.085 50 40 KGGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccccc4F)C3=O)cc2)c1 408536383 RETZTQKLNKUYIZ-FUSDPXDGSA-N 501.474 3.001 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 408690904 XCLOHWRMPLYLAQ-BDXSIMOUSA-N 602.276 3.047 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 409259138 XSWSUVLOUQDPFS-RWPZCVJISA-N 504.543 3.427 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC)c(OCC)c1 1529548155 YGJVXTXUYVPZQY-FDBZCLHMSA-N 540.642 3.369 50 40 KGGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)cc2)c1CN1CCc2ccccc21 1269110 RNMWALKEHJVOAY-IBBHUPRXSA-N 553.558 3.277 50 40 KGGB C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1OCC 20209871 RVRKDNBFTJQEOO-OEAKJJBVSA-N 510.410 3.329 50 40 KGGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 59503018 YFCHQWRHAYYXLK-ZMOGYAJESA-N 506.422 3.070 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)c(OC)c2)c1C#N 408600588 DTIDHLDUWOZCCH-NCAUGAEKSA-N 563.405 3.039 50 40 KGGB COc1ccccc1C(=O)Oc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1 408682856 KAZHZHCBBJJVCS-PPTJPPEBSA-N 529.339 3.211 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(I)c1OCC(N)=O 408800969 QNLUQXVVHDSBKD-UGIDETKXSA-N 511.360 3.156 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1Cl 408828363 MNTWONPZAOMVDS-CCVNUDIWSA-N 563.007 3.422 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1OC 409155717 MMABAAKQCOMIHH-OKCVXOCRSA-N 583.439 3.293 50 40 KGGB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1 409156070 KHCLQXLFHAGPMK-RPPGKUMJSA-N 503.397 3.306 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(Cl)c2)cc1OC 409157129 PBXMYQQLMIWLMP-OKCVXOCRSA-N 538.988 3.184 50 40 KGGB CC(/C=C/c1ccc(N(C)C)cc1)=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1 9425303 DXCDENOQDOMOBZ-VRESTWFCSA-N 503.592 3.410 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 19951454 DOVWMUZEBNFHST-OVVQPSECSA-N 527.599 3.457 50 40 KGGB O=C(CNc1ccccc1)N/N=C/c1cc(I)cc(I)c1O 105503353 BJHFLKIYFUUAMW-UFWORHAWSA-N 521.096 3.164 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O 408688173 QAMUTKHMIFIBPR-TUVASFSCSA-N 609.109 3.415 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408777465 ZZJNDZNKANJMRA-CVKSISIWSA-N 511.556 3.056 50 40 KGGB C=CCc1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(OCC)c1O 408942990 GUFWRHIXCBNDLB-VWLOTQADSA-N 552.653 3.404 50 40 KGGB O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccccc1Br 409370917 VJXAMNYYINQADR-FSJBWODESA-N 525.197 3.213 50 40 KGGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccc([N+](=O)[O-])cc1 409381591 HGIUVZDNWPLNGS-UXHICEINSA-N 590.328 3.198 50 40 KGGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc(OC)cc3)C2=O)o1 409408126 ITDCWPUFJZJKSD-UNOMPAQXSA-N 521.438 3.295 50 40 KGGB Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc(Br)cc(Br)c1O 1292284 YETKCBMSEYELRE-QPJQQBGISA-N 535.156 3.049 50 40 KGGB O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 70463043 ZFSBOLANYQLVMR-YDZHTSKRSA-N 533.360 3.409 50 40 KGGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OCC)c2)cc1OCC 409315964 WQRGSIZGCDYECM-ROTLSHHCSA-N 508.369 3.273 50 40 KGGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc([N+](=O)[O-])cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409406287 BHNIYAQZVBOQCN-TYFDZAOGSA-N 502.439 3.263 50 40 KGGB CCOC(=O)C1=c2s/c(=C/c3ccccc3Br)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1Br 100563145 CRNOWSXJZRWGBK-WAGPWIPHSA-N 587.293 3.426 50 40 KGGB CC[C@H](C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3)C(=O)O 102817292 MKLSGYFZQOELAG-BRIQATMNSA-N 582.691 3.030 50 40 KGGB COc1ccc(C(=O)NNc2ccc(S(=O)(=O)c3ccc(C(C)C)cc3)cc2)cc1S(=O)(=O)N1CCOCC1 103020160 RSBXYVKGYSIKEH-UHFFFAOYSA-N 573.693 3.429 50 40 KGGB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 408653321 FEQPRBXLSKSQIE-SFHVURJKSA-N 529.977 3.044 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Br)cc1Cl 408682247 KOSGNMSCOYWLDO-JUYHGQFASA-N 627.511 3.362 50 40 KGGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Br 408776871 ZYJQTNBMVAORFS-KSEXSDGBSA-N 539.795 3.263 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)Cc2ccccc2)cc1 408867918 MMSSGWZJBJYBJM-XZYGTATASA-N 658.737 3.451 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cccc(Cl)c1Cl 409153662 DRRYDUXXYOISAN-YCPBAFNGSA-N 605.216 3.353 50 40 KGGB COc1c(I)cc(I)cc1/C=C(\C#N)C(=O)N1CCCC1 409368967 VLXRBEBQVSTGFD-IZZDOVSWSA-N 508.097 3.434 50 40 KGGB CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)CC1 8767145 DEQGLEDVDDBCOB-LTGZKZEYSA-N 506.584 3.121 50 40 KGGB COc1ccc(/C=N\NC(=O)C2=NO[C@H](Cc3c(Br)c(OC)c4c(c3OC)OCO4)C2)cc1 36556702 YOJBKNJXKVIMJY-GWRPWHHRSA-N 520.336 3.041 50 40 KGGB COc1ccc(CCN2C[C@@H](C(=O)NNC(=O)c3cccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)c3)CC2=O)cc1OC 150452176 GUBPCAGBNDWYJO-FQEVSTJZSA-N 634.633 3.376 50 40 KGGB O=C(COC(=O)CCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)NNC(=O)c1ccccc1 408690452 VJRGGNBLGQKTPE-UHFFFAOYSA-N 533.151 3.291 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCC#N 408849357 ZPQUUBBDTCSBLR-PYGAFPFSSA-N 555.838 3.317 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(I)c1O 408971485 GGZKGOJDFJVDSQ-SAMQYFKISA-N 553.397 3.374 50 40 KGGB CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(I)c1OCC(=O)O 409018955 ZNRQMQBWUQYGDP-GATIEOLUSA-N 549.321 3.231 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409255112 GGZWEHYPLMWGDQ-OKCVXOCRSA-N 502.571 3.404 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Cl)ccc1OC 1529548241 BLICRMQISMMOJA-GMMBANTPSA-N 517.007 3.234 50 40 KGGB COc1cc(OC)c(/C=c2/sc3n(c2=O)C(N)=C(C#N)[C@@H](c2cc(Br)c(OC)cc2OC)C=3C#N)cc1Br 33358379 JYSRXHUOJRDNDV-MISWNLACSA-N 660.344 3.421 50 40 KGGB CC[C@@H](C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)C(=O)O 100623107 MKLSGYFZQOELAG-DXDRYMEESA-N 582.691 3.030 50 40 KGGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(I)cc(I)c1O 408907599 NXHJZCFAQXRGGA-RSFOSLOZSA-N 607.186 3.409 50 40 KGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(C)(=O)=O)cc1 408915294 ZEDRYGCOLINDLS-FVQJWRHTSA-N 511.442 3.219 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(OCC)c(OCC)c1 408953820 YGJVXTXUYVPZQY-RUZDIDTESA-N 540.642 3.369 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1OC(C)=O 409388384 UXIFEBHYHUPDAC-ACHIHNKUSA-N 771.688 3.104 50 40 KGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H](C(=O)OC)C(=O)N1 2312305 DQPGIOZFGMUAJH-XZOQPEGZSA-N 539.610 3.384 50 40 KGGB Cc1ccc(C)c(OCC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)COc2cc(C)ccc2C)c1 8400022 ITTJOYCAUHJGHA-UHFFFAOYSA-N 540.661 3.404 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)o2)cc1 408851275 AVUZXXZPZUQEAB-IGCAKMCNSA-N 514.538 3.496 50 40 KGGB Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 408863623 NXWFJTGKPLRWBE-QHFGQAMDSA-N 536.654 3.476 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OC)c(OC)c1 408940603 CQGVUTGGEJFJIJ-JOCHJYFZSA-N 547.033 3.242 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409152681 JSIORNDQXBSSJU-OCSSWDANSA-N 502.571 3.139 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 19945547 YSMGZXCNPTYQBD-DHRITJCHSA-N 517.951 3.306 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 100240826 FKZHQHFPHGZZMQ-ZCTHSVRISA-N 615.108 3.322 50 40 KGGB COc1cccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1OCC(N)=O 408971563 IZPWKDMESOEVQV-MQZXNZFCSA-N 553.443 3.315 50 40 KGGB O=C(CNc1ccc(I)cc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 409077940 GLUDVRXFUXZCPW-FBCYGCLPSA-N 519.093 3.230 50 40 KGGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc(OC)cc3)cc2OCC)cc1 409150737 DICPYDFDGUAXTJ-FDAWAROLSA-N 548.596 3.277 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccccc1CC 409151762 BZODXXVQTNGMMQ-UXHLAJHPSA-N 502.571 3.432 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC(C)C)cc1 1529547663 NURAMPVADHKKEZ-NRDUTDNZSA-N 510.616 3.359 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)c1C 20061227 BNMWGFZYYCOYKH-JVWAILMASA-N 508.600 3.237 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 20214488 BYQMRXHSZJXELL-KOEQRZSOSA-N 510.528 3.102 50 40 KGGB COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1OC 97980660 PPIHPVBMKXRJCH-RELWKKBWSA-N 551.621 3.251 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 100781533 UUEZBKXLUNDXSZ-CUTQRFQLSA-N 517.575 3.460 50 40 KGGB Cc1cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc1Br 408690215 UIDBPVMINCAINB-MVXJNQHVSA-N 621.120 3.407 50 40 KGGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)cc1 408690626 WCWBNKUWADRRCV-YQLZSBIMSA-N 544.391 3.411 50 40 KGGB Cc1ccccc1OCCOCCOc1ccc(Br)cc1/C=N/NC(=O)Cc1nnc(N)s1 408971777 QEFKTYGXNRNNQH-AFUMVMLFSA-N 534.436 3.358 50 40 KGGB CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1OCC 409026729 WIHNABQOYMENRL-OEAKJJBVSA-N 559.426 3.395 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409150420 BUINCAFZXFVYEN-UUSFDFBMSA-N 556.925 3.130 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(F)c(Cl)c2)cc1OC 409165252 VIDKQEKLSBDDIQ-IBBHUPRXSA-N 556.978 3.323 50 40 KGGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3F)cc2OC)cc1 409254327 YTXNNJDZUYVOFQ-RWPZCVJISA-N 508.506 3.339 50 40 KGGB C#CCOc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 1529548102 XSZIMIVECLEQDW-VLQKAMOESA-N 585.480 3.346 50 40 KGGB Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 3251334 HWAZWROLBMWAOI-IKOBEORISA-N 593.706 3.005 50 40 KGGB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)NNC(=O)COc2ccccc2C)ccc1OC 12542522 WRFRARFXQYRRKQ-UHFFFAOYSA-N 511.600 3.054 50 40 KGGB CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 102994473 PMDJYNDHHNTACH-UHFFFAOYSA-N 578.441 3.497 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccccc1C(F)(F)F 408688587 RAISUOUPIHVDOK-SQXHVFGTSA-N 596.194 3.355 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1OC 408833166 WADUBBMYOYJXIV-WGOQTCKBSA-N 527.555 3.195 50 40 KGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 408864597 XGAURCOZIVWLTM-JFLMPSFJSA-N 535.066 3.392 50 40 KGGB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@H]1[C@@H](Br)[C@@]1(Br)C(=O)N(c2ccccc2)N=C1C(=O)OCC 4266364 NNVYLJJPCFXTMN-IZJXBPLLSA-N 634.281 3.432 50 40 KGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)c(Oc3ccc(C(C)(C)C)cc3)nc12 9003980 ABTPVSFLQYDKIJ-GJPUVDBCSA-N 520.611 3.303 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccccc1 58924853 RZUKIJMUVXKXKD-WPWMEQJKSA-N 527.599 3.457 50 40 KGGB CC[C@H](C)[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)C(=O)O 100623108 MKLSGYFZQOELAG-WWGFAFIDSA-N 582.691 3.030 50 40 KGGB CCCCCOc1ccc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1 100858462 HQVOLGAYJFEPDS-NLRVBDNBSA-N 551.507 3.475 50 40 KGGB CSCC[C@@H]1N[C@]2(C(=O)N(CCBr)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 103013866 KKPCCEPPJXTTQQ-PLLBJWBMSA-N 514.445 3.154 50 40 KGGB COc1cc(C=N/C(C#N)=C(/N)C#N)ccc1OCc1c(Br)c(=O)n(-c2ccccc2)n1C 252624234 PJRJIWAESOZSJE-ZBXCVHAWSA-N 507.348 3.162 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025881 ZKUXQNSGHDRAIA-JFLMPSFJSA-N 541.582 3.177 50 40 KGGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccc([N+](=O)[O-])cc32)cc(Br)c1OC 20086844 UEBKQQRSUXGWIJ-QGZVFWFLSA-N 513.304 3.445 50 40 KGGB C[C@H](C(=O)Nc1ccc(I)cc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 102239559 HEQHKAOHQZEJFX-IJEKRIQKSA-N 596.057 3.396 50 40 KGGB O=C(C[C@@H]1SC(=O)NC1=O)NNC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 245228767 FEMXHYOTOSALFU-TZOXNBTLSA-N 579.125 3.105 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Br)cc1 408613280 YPYFYKIKYBNWJP-JMJNUIHMSA-N 504.381 3.172 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)c(OC)c1 408683104 HKLAHUIOEIOBRJ-YKIFOBKMSA-N 547.391 3.469 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408786009 DSCVETLIQFOIKA-CVKSISIWSA-N 540.554 3.044 50 40 KGGB CCOc1ccc(Cl)cc1C/C=N/NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OC 408924620 PNVTUOHOLMUGCO-OBOCUERJSA-N 544.992 3.272 50 40 KGGB COc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1 409157515 MWBITOKOBMYIMI-CCVNUDIWSA-N 632.411 3.423 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409336265 RHCRVQCLUHJSLT-VQTJNVASSA-N 513.959 3.236 50 40 KGGB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1 12690198 WHFPGHPTWIEBGF-IBGZPJMESA-N 514.007 3.227 50 40 KGGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)N[C@H](C)c3ccccc3)cccc2OC)cc1 408610645 ORVFBSRKSGHOJK-HRJIBFCWSA-N 518.570 3.439 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(C)C)c(Br)c1 408945836 LRNZGMNALAFKRA-QHCPKHFHSA-N 574.501 3.400 50 40 KGGB CCOc1cc(C(=O)N/N=C\c2cc(I)c(OCC(=O)O)c(OCC)c2)ccc1OC 409319488 HATIUXDQZCRKLD-KSEXSDGBSA-N 542.326 3.325 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O 409382001 JSCVADNCRUKULV-SZAHLOSFSA-N 785.715 3.032 50 40 KGGB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1[C@@H](Br)[C@@]1(Br)C(=O)N(c2ccccc2)N=C1C(=O)OCC 96168991 NNVYLJJPCFXTMN-MVIPISOYSA-N 634.281 3.432 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 408687014 OHAJFGUWKQUBRR-RJXUYKTESA-N 628.314 3.148 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408688070 PVLMHAFIVMQPJC-MUEHPZDASA-N 576.669 3.298 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cccc(Cl)c1Cl 408689970 ZYTOWCKOEQFXDX-JQDOTXQISA-N 583.060 3.253 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC 409125780 FFULALOBDKKIFK-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1c(C)cc(C)cc1C 409165003 QUUOTVNJMLXXBU-NNKBFHPNSA-N 636.487 3.378 50 40 KGGB CSCC[C@H]1N[C@]2(C(=O)N(CCBr)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 100166498 KKPCCEPPJXTTQQ-HMSHQKHKSA-N 514.445 3.154 50 40 KGGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1OC 100952773 IGIGDWIIVQAWML-QNGOZBTKSA-N 530.581 3.434 50 40 KGGB CC(C)C[C@H](NC(=O)CCCNC(=O)CCC(=O)O[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]24OO3)C(=O)O 102817202 UKEGJFCNVSBHRO-PQHSALEBSA-N 582.691 3.030 50 40 KGGB CCOC(=O)CNC(=O)[C@@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)OCC)NC(=O)OCc1ccccc1 103559718 RKJMTMANTPUDES-PKTZIBPZSA-N 621.734 3.200 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccc(I)cc1 408778992 ONFPGLUXIZUBLD-UDWIEESQSA-N 550.216 3.360 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccccc2)cc1 408859159 MCVUQOQBCGWHCO-CVKSISIWSA-N 560.426 3.347 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)Cc2ccccc2)cc1 408995528 AUJJRRZFUGDNCA-ZTCOUNKMSA-N 578.691 3.010 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1OC 409166236 CUSSCMQEWALHII-KPGMTVGESA-N 674.492 3.452 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1 409186206 YUPMMSHIBXXCIN-JFLMPSFJSA-N 589.468 3.392 50 40 KGGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1cccc(Cl)c1Cl 409255988 MYQAUBIXLAFNOW-UPISZDBRSA-N 527.792 3.410 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc(I)c1O 409259430 ZKIUFYUNIGMPMM-WYMPLXKRSA-N 509.344 3.285 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OC)c(OC)c1 1529545033 UEFYLWQSJREWFY-YDHBKFOLSA-N 638.484 3.193 50 40 KGGB Cc1ccc2c(c1)/C(=N/NC(=O)CCCCCCCC(=O)N/N=C1/C(=O)Nc3ccc(C)cc31)C(=O)N2 18227717 LOVZBKNTBRXPOR-UHFFFAOYSA-N 502.575 3.279 50 40 KGGB COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c(=O)c1C#N 103786307 DLCBVTGJIJAWTJ-NSKAYECMSA-N 527.331 3.046 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)cc1 408676915 AMZWJBOUWNYTFO-ZKXGSZBFSA-N 545.375 3.239 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccccc1Cl 408680084 CZOLFTSZRHSNJE-FPAYPSAMSA-N 552.798 3.072 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]2C1=O)Nc1cc(Cl)ccc1Cl 408690265 UQMBFIYKNUGOKJ-KKOKHZNYSA-N 571.049 3.397 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC)c([N+](=O)[O-])c1 408944243 IULZEVABCIDUOP-OAQYLSRUSA-N 653.455 3.093 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3C)NC(=O)[C@H]2C(=O)OC)cc1 409312113 JLXDABLYGNTYQI-YADHBBJMSA-N 507.568 3.200 50 40 KGGB C=CCOc1ccccc1/C=N/NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548672 LIBYASKREXWXLO-CYUILNSLSA-N 508.600 3.136 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3OC)cc2)cc1 58881775 IKPKTQSBDHKZLP-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB O=CO[C@H]1CC[C@H]2[C@H]1[C@@H]1[C@H](I)[C@@H]3[C@@H]4CC[C@@H](OC=O)[C@@H]4[C@H]4[C@H](I)[C@@H]2[C@H]1[C@@H]43 104288732 LCLDSJBXBBUOHJ-XEAKYKPJSA-N 582.216 3.481 50 40 KGGB CC(=O)Oc1ccc(/C(C)=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C(/C)c2ccc(OC(C)=O)cc2)cc1 104382870 IRIWKSMMPYFJLH-HSDOFUDPSA-N 526.615 3.428 50 40 KGGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@@H]3C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)cc2)cc(OC)c1OC 408536358 RCAOCIPWNIWFBO-HCXDNJAASA-N 685.431 3.184 50 40 KGGB O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)NNC(=O)c1ccccc1Cl 408648059 XABSVPNBVMPYLZ-UHFFFAOYSA-N 517.163 3.479 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H](C[C@H]4c4ccccc4)[C@H]3C2=O)cc1)NNC(=O)c1ccccc1 408684026 JELZZZYLQHOCCZ-SFZWCLMXSA-N 537.572 3.234 50 40 KGGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408687068 UDBCEEOUEIPRGB-QIVAEQKXSA-N 602.441 3.034 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(I)c1OCC(=O)OC 408968761 YSJRUOWWQQUAGM-YSURURNPSA-N 525.274 3.016 50 40 KGGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1OC 408996209 GTXMGMGPWDXMIU-LJUMEUDFSA-N 536.560 3.060 50 40 KGGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2OC)cc1 409256409 KYEGNSARKNNVDU-RWPZCVJISA-N 508.506 3.339 50 40 KGGB COc1cc(/C=N/NC(N)=O)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 2759736 FMGOKEGVBRPVGF-KTZMUZOWSA-N 536.248 3.338 50 40 KGGB C/C(=N/NC(=O)c1ccn(Cn2nc(C)c([N+](=O)[O-])c2C)n1)c1ccc(OCc2ccc(C(=O)O)o2)cc1 8815649 FYJHZONYZCJOOI-QFEZKATASA-N 521.490 3.135 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408882943 OSMRVHSYLCEHFA-UZWMFBFFSA-N 621.716 3.391 50 40 KGGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OCC)c1 409002989 QNCAPSMZXRORAA-CEZAJYOJSA-N 622.416 3.442 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1c(C)cccc1C 409267628 VGPJPMPHJWOOHZ-MUFRIFMGSA-N 512.607 3.101 50 40 KGGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1ccc(N(C)C)cc1 705392 MCOHRIVLJFAGND-KOEQRZSOSA-N 518.661 3.137 50 40 KGGB COc1ccccc1NC(=O)CC(=O)N/N=C/c1ccc(N(CCC#N)S(=O)(=O)c2ccccc2)cc1 6147303 FXSUCKIVRVZBNL-TURZUDJPSA-N 519.583 3.283 50 40 KGGB C/C(=N/OCC(=O)N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccccc21)[C@@H]1OC=CS1 85902506 UCAXXJZWJQPDLQ-CSGDYIDMSA-N 520.615 3.386 50 40 KGGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)C(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1N1CCCC1 97980749 HYZABNGOYZBWHJ-WXGDAXOSSA-N 592.708 3.476 50 40 KGGB COc1ccc(/C=N/NC(=O)c2ccc(OC[C@H](O)CN3CCN(c4ccc(F)cc4)CC3)cc2)cc1OC 100847729 QDRYWXAGOMKTON-QNSQCGTLSA-N 536.604 3.169 50 40 KGGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCC(=O)NCc1ccccc1 408603963 HQZSAYGODTUXDX-NRFANRHFSA-N 502.571 3.195 50 40 KGGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1ccc(Br)cc1Cl 408680861 HFUOTHGNQTVEFV-XOKVJCJLSA-N 507.562 3.155 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccc(Br)cc1 408691123 YIFSSJWQADIQCY-SEXKYXSUSA-N 597.249 3.181 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 408829631 LOBQJSKGYUXALP-LQKURTRISA-N 542.589 3.158 50 40 KGGB COc1cc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)ccc1OCC(N)=O 408865041 ASZADPGJHWCNBB-ZNLRHDTNSA-N 540.385 3.071 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OC)c(OC)c1 408951465 UEFYLWQSJREWFY-QFIPXVFZSA-N 638.484 3.193 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2c(OCC#N)ccc3ccccc23)c(OC)c1 408954100 NAFRTXRPEMFYBV-KDUAFSNCSA-N 571.590 3.471 50 40 KGGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2c1OCCO2 409125329 NCWLFOJDXHEVNV-MFKUBSTISA-N 577.400 3.408 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C 409157014 HNGPJPBOVFUUCV-WBFLIZMFSA-N 628.851 3.024 50 40 KGGB COc1cc(/C=C/C(=N/NS(=O)(=O)c2ccc(C)cc2)c2sc(NNC(C)=O)nc2C)ccc1O 1630656 BKNQIIJRZQTGHW-RGLFAYGVSA-N 515.617 3.333 50 40 KGGB O=C(N/N=C1/C(=O)N(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2ccccc21)c1ccc(Cl)cc1 20410744 RTBOJGDLHOQVOG-HZCDPMODSA-N 501.974 3.059 50 40 KGGB CSCC[C@H](C(=O)N1CCCCCC1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408688773 XKNADNFDFSDNMB-PMQCXYRDSA-N 536.330 3.289 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408789904 OMCMRUGLHIMOAL-JVWAILMASA-N 525.583 3.144 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1c(C)cccc1C 409168536 MGEMHTNHBKRHEC-IPPBACCNSA-N 624.476 3.316 50 40 KGGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409385865 KOZVLQWHOWONML-WYMPLXKRSA-N 555.223 3.222 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)c(OC)c1 19950504 LXLFOVMQCZXFOY-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)cc(I)c1O 101708185 FPBUBUKGYLMRDO-WSVATBPTSA-N 520.077 3.197 50 40 KGGB COc1ccc(CC(=O)N/N=C\c2cc(I)cc(I)c2O)cc1OC 101768762 KAFKPLOCRADQRY-UKWGHVSLSA-N 566.133 3.311 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(C)(=O)=O 408876950 RZQRKHHYOUYCHB-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1 409159054 MKGCSEXBUHCJDQ-RWPZCVJISA-N 504.543 3.427 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccc(Cl)cc1 409253815 YJSCDWSAPMLGFH-DDFZXGMKSA-N 509.788 3.485 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1OC 409262419 IRMFDVQOCKKDOC-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCC2)ccc1OCc1ccc(F)cc1Cl 97966598 MGCSKACWCKLSQU-VVEOGCPPSA-N 584.012 3.362 50 40 KGGB COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1OC 100603734 HRYIGXQJDRSYNB-DAFNUICNSA-N 501.381 3.390 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408682236 KMGBYKCQTZTSRD-DQOWRFHUSA-N 583.060 3.253 50 40 KGGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O 408689452 RYHKEYVCJDHKEF-QVMFEJGFSA-N 552.636 3.358 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC 408813954 FJNVQOALFZTSPJ-MFOYZWKCSA-N 550.349 3.474 50 40 KGGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(I)c1OCC(=O)O 408910510 GYDIFDGWZONTJP-AUEPDCJTSA-N 526.327 3.299 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC#N)c(OC)c1 408952512 WESGXATXKFISGO-HSZRJFAPSA-N 572.043 3.136 50 40 KGGB CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c1 409258641 YLONICKSTBWYED-FDAWAROLSA-N 532.597 3.093 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)ccc1OCC(=O)O 409335208 KFXRIZMAQNKPLZ-SODVTCOWSA-N 515.563 3.109 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(Br)cc2)cc1 409379313 WRCAOROVYZSKES-YADHBBJMSA-N 583.391 3.363 50 40 KGGB CCOC(=O)[C@H](Cc1cccc(OC(=O)CCl)c1)NC(=O)CCc1ccc(OC(=O)CCl)cc1 2060993427 GUQGGOYRYQMAFP-FQEVSTJZSA-N 510.370 3.198 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccs2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 20233333 CRWPLIAKWNYNLQ-LPYMAVHISA-N 504.546 3.019 50 40 KGGB COCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)o1 100376117 JMUDAVWNZBYPJD-NUJZUDFISA-N 581.478 3.499 50 40 KGGB CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)NNC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)[C@H]3C=C[C@H]2C3)cc1 108669467 SSXMFVCGLFKAPS-NBMBROAQSA-N 616.719 3.316 50 40 KGGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1OCC(=O)NCc1ccccc1 408603966 HQZSAYGODTUXDX-OAQYLSRUSA-N 502.571 3.195 50 40 KGGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1ccc(Br)cc1Cl 408680859 HFUOTHGNQTVEFV-QJPVEVLHSA-N 507.562 3.155 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc(Br)c1O 408830088 NCZZWBNVWFIJHI-ZVBGSRNCSA-N 504.790 3.041 50 40 KGGB NC(=O)COc1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408867214 JLQPNYNRPLCUSJ-KTZMUZOWSA-N 510.359 3.062 50 40 KGGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(Br)c(OCC#N)c(OC)c1 408914765 XMFYHDRDGWAAQA-VBYICHLGSA-N 503.353 3.168 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1OC 409155923 RZEWDRAOIVUXIT-VTNSRFBWSA-N 562.623 3.156 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N2CCCCC2)o1 1529548066 WRWPLKKOIWPKRT-CYUILNSLSA-N 525.631 3.155 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)cc(OC)c1OC 1529548800 OAJOKHMAFFWFSZ-GPBZHFFBSA-N 591.484 3.351 50 40 KGGB Cc1ccc(OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc2ccc(C)cc2Br)c(Br)c1 8399087 HSNALTGLEFMHMW-UHFFFAOYSA-N 628.318 3.141 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)N(c3ccc(OC)cc3)S(C)(=O)=O)o2)cc1 20214874 VYYUFFDPLNKQCL-MOROIOLQSA-N 513.572 3.437 50 40 KGGB CCOc1cc(/C=N\NC(=O)CNC(=O)c2ccccc2Br)cc(I)c1O 104003772 KJLKNGURCLCRBB-AFPJDJCSSA-N 546.159 3.038 50 40 KGGB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)c1 408689549 SEWOBZNLCJJJME-ONOFXPIZSA-N 547.391 3.469 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c2cc(Cl)ccc2OC)cc1OC 408775399 PUJHIHVOSRDVKG-UVHMKAGCSA-N 562.000 3.440 50 40 KGGB N#C/C(=C/c1cc(I)c(O)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1 408777839 JYBFXNSYDIEYQV-GDNBJRDFSA-N 504.284 3.161 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(O)c(OCC)c1 408944694 JJXHNXOYBGGGFR-JOCHJYFZSA-N 591.484 3.438 50 40 KGGB C#CCOc1ccc(Br)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408956272 QJFRFDNLOCCFKG-BCFKDBPXSA-N 599.438 3.190 50 40 KGGB CCc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)S(C)(=O)=O)cc1 409027842 HWNCNZKQHIMMEC-OGLMXYFKSA-N 522.627 3.491 50 40 KGGB Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)CNC(=O)c1ccc(Cl)cc1 3081711 OWVDBVJQIISUHJ-GEVRCRHISA-N 519.577 3.465 50 40 KGGB COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)=C(C)N1 98048592 ZACOQCWTKKMACY-VWLOTQADSA-N 607.670 3.420 50 40 KGGB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21 112256114 NBBPHABLRQMSPB-MPJSQWMVSA-N 596.596 3.409 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(I)c(OCc2ccccc2F)c(I)c1 164561305 PMSWPMUNGWRSFA-MYKKPKGFSA-N 623.204 3.396 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c(C)cc1Br 408691336 ZKMTUEOVPIUMAL-AYCMENBISA-N 532.218 3.013 50 40 KGGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 408755405 URWLJTSBJKHHPP-GZTJUZNOSA-N 568.389 3.142 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cccc(C)c1C 409266326 XXDIQIJCGQCRNJ-MUFRIFMGSA-N 512.607 3.101 50 40 KGGB O=C(N/N=C/c1c(Cl)cccc1Cl)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 253577577 XFUZAZQORAZDOY-PVPASAESSA-N 581.503 3.208 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccccc3Cl)S(C)(=O)=O)cc2)cc1 408860924 IPELYVXKLLKGBM-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC#N)c(OCC)c1 408941508 DSZWTYOGDRGXLC-XMMPIXPASA-N 677.521 3.477 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc1Br 408970657 JWFPSSSILKTLKF-ZAHDWXQSSA-N 548.434 3.369 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OCC)c1 1529549200 VDTMDEWZJUAQJC-MEIHFEFKSA-N 710.547 3.127 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 59443669 AUDSOKNYNKRFDJ-JVWAILMASA-N 524.599 3.003 50 40 KGGB C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 101228486 YVRFYFHZZIZOIT-NNZSUNDYSA-N 592.078 3.341 50 40 KGGB CNc1c(I)cc(/C=N/NC(=O)c2ccncc2)cc1I 408740581 HCQRJKFJWYAPCB-UFWORHAWSA-N 506.085 3.096 50 40 KGGB COc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)S(=O)(=O)c2ccccc2)cc1OC 408784086 SJPIUOVKMOZXKG-UHFFFAOYSA-N 573.425 3.134 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccc(OC)c(OC)c3)o2)cc1 408806884 NNPHZCDZWNDLNC-SEBMTOOBSA-N 719.773 3.112 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(OC)c1 408922899 HKQCIWIFNICTDW-NBVBKBLUSA-N 626.258 3.256 50 40 KGGB CCOC(=O)Cn1c(C)c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 408944890 JVRFLMXTVJVZAG-NDEPHWFRSA-N 591.690 3.398 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 1529548343 DBYDPKHYOLHHDO-MAAQONNBSA-N 631.465 3.145 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 408684000 NZIXSNMMPREPJC-XRWATXQWSA-N 607.093 3.017 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 408859161 MEMFFCURXXSNKM-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)c(OC)c1 408923052 IRYDOTXVOQPYAA-VUCPWBMJSA-N 576.562 3.072 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025414 UQHJQRZOJAIJCJ-NDZAJKAJSA-N 627.676 3.193 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1ccc(I)cc1 409026338 MFNFRHUMAQYFDD-AWQFTUOYSA-N 509.728 3.000 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409159420 ZVENYGUJUFJRBF-MFYUCYCASA-N 581.851 3.182 50 40 KGGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)cc1 409259733 DMDQVMXSHMKOTJ-UXHLAJHPSA-N 516.554 3.044 50 40 KGGB COc1cc(/C=C2\SC(NNC(=O)c3ccncc3)=NC2=O)ccc1OCC(=O)Nc1ccccc1C 16779016 YTCYYWJPBUFHDU-HMAPJEAMSA-N 517.567 3.321 50 40 KGGB CCOc1cc(/C=N\NC(=O)Cc2nnc(N)s2)ccc1OCCOCCOc1ccc(C)c(C)c1 31833861 UNPFKIOBRKDGFZ-YUMHPJSZSA-N 513.620 3.303 50 40 KGGB CN1CCN(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(Br)cc3)C(=O)N2c2ccccc2)CC1 101179617 UXNBVTGVUWBGKT-KWLPWJRRSA-N 526.460 3.154 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409157531 WAHWEVVGXJHRJB-PNQUVVCRSA-N 601.385 3.110 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)NC(=O)[C@H]2C(=O)OC)cc1 409318265 XZDYILKKMXCXDC-YADHBBJMSA-N 507.568 3.200 50 40 KGGB CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)CC1 9075771 SNMTZPKQXMYKMA-CJLVFECKSA-N 520.611 3.429 50 40 KGGB CCOC(=O)C1=c2s/c(=C/c3ccc(SC)cc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccc(SC)cc1 13739592 VMZFRDYMBJQAHK-NNVROAHOSA-N 521.689 3.344 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)ccc1O 408778032 OWFSPHQPTRWLRL-JVWAILMASA-N 527.599 3.462 50 40 KGGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)cc1 408837697 LJMRPEHHJIEZNJ-AJBULDERSA-N 574.663 3.179 50 40 KGGB C#CCOc1c(I)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408958581 ZDSZBPKAJHIHDF-OTGRTMQESA-N 676.464 3.041 50 40 KGGB COc1cc(Br)c(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1OC 408986469 CMNUAEHXXZYSJV-KYEFCJKTSA-N 530.379 3.177 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2F)cc1OC 409158809 XZXPZIHYDOMSCS-IBBHUPRXSA-N 601.429 3.432 50 40 KGGB CCCOc1ccc(C(=O)N/N=C\c2cc(I)c(OCC(N)=O)c(OCC)c2)cc1OC 409313156 HUTDRKMTRUVQHJ-ROTLSHHCSA-N 555.369 3.115 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 8452641 ATAOXZUTXLWMNW-IBBHUPRXSA-N 528.487 3.498 50 40 KGGB CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)COc2ccc(OC)cc2)C1 8809835 VXJDBQFIYIZPDX-BWJYWGHISA-N 511.579 3.217 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)ccc1O 100224220 YIJZROCWFZAMHR-JFLMPSFJSA-N 529.546 3.047 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccccc1Cl 408680085 CZOLFTSZRHSNJE-NBMJBFSESA-N 552.798 3.072 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 408688582 QZGWYHMBKKSNQN-VNUXUXBQSA-N 621.120 3.407 50 40 KGGB COc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Br)c1OCC(=O)O 408750559 OTJKXOQKZGVORO-VULFUBBASA-N 513.344 3.307 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN(c3cccnc3)S(=O)(=O)c3ccccc3)cc2)cc1 408859751 QHOUPSJKWAXPOO-FDAWAROLSA-N 573.631 3.453 50 40 KGGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)S(C)(=O)=O)cc1 409028140 HVAFIOMQADCXTO-MTDXEUNCSA-N 551.625 3.470 50 40 KGGB Cc1cccc(C)c1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCCCOC(C)C 409151637 HNYHLQLMFPTXKR-CCVNUDIWSA-N 547.450 3.465 50 40 KGGB O=C(NNC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)O)c1ccccc1 409380637 AISYLLYTWNPEAH-VQTJNVASSA-N 545.331 3.290 50 40 KGGB N#CC1=C(SCC(N)=O)N[C@@](O)(c2ccc(Br)cc2)[C@H]([n+]2cccc(O)c2)[C@H]1c1ccccc1 100708839 JJKQHKNACPZBBS-JBRSBNLGSA-O 538.447 3.169 50 40 KGGB COc1ccc(OC)c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)c2)c1 408689554 SEWOBZNLCJJJME-ZOQGBNKYSA-N 547.391 3.469 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 408875571 KEFFAQJOFBRVAX-WKULSOCRSA-N 606.053 3.263 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409170293 UPIOFMLDEMMBLA-XODNFHPESA-N 539.416 3.401 50 40 KGGB Cc1ccc(C)c(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c1 409170893 XUMHHCICQBICEK-CCVNUDIWSA-N 547.450 3.465 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)cc1 409176053 XPXMOLQLTFRJJW-AMVVHIIESA-N 542.951 3.280 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(OCCC(=O)O)cc2)c2ccccc2)cc1 409335540 JUWZLCRFXSQQAF-JZZXMACJSA-N 509.584 3.409 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)O)c1 409369908 HHJZNKQZHJNYAW-WUFINQPMSA-N 655.616 3.253 50 40 KGGB C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 103121291 VIHPZDVLBPKPRU-UMUBVNPOSA-N 504.606 3.445 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 408730351 PXHMDEGGXLUXFO-CVKSISIWSA-N 515.975 3.237 50 40 KGGB CCOc1ccc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OC)cc1Br 408923732 KZONRMOYAYGOPB-VVKUOSDESA-N 575.416 3.186 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OCC(=O)OC)c(I)c1 408945007 JZJVMXQRCFZCDN-HSZRJFAPSA-N 745.390 3.491 50 40 KGGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 409184327 KKOOCNAIPYAGLP-OGLMXYFKSA-N 538.626 3.299 50 40 KGGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)[C@H](C(=O)c3ccccc3)N2S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 101958362 WPVIAKSVNNIBLP-KAYWLYCHSA-N 546.605 3.396 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(Br)cc1 408944687 JJSMMTINVFDIFA-NRFANRHFSA-N 531.432 3.334 50 40 KGGB COc1cccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1OCC(N)=O 408971564 IZPWKDMESOEVQV-RVMNIKEASA-N 553.443 3.315 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OCC)c1 1529548888 PAXAGCPGPHBBSX-CGGVTCGFSA-N 696.520 3.038 50 40 KGGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCOCC2)cc1COc1c(Cl)cc(Cl)cc1Cl 97966678 ZNZLCHYDVOYAEY-KNBZMSCYSA-N 636.884 3.376 50 40 KGGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1cccc(OC2CSC2)c1 105583586 WVNOHDQHPAYBEW-AFUMVMLFSA-N 526.596 3.435 50 40 KGGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408956549 RDQNMEZBDRANII-HSGXLUIGSA-N 629.464 3.198 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1Cl 409150515 CDOXVLRBTPYUOG-NPLHSSQESA-N 551.825 3.174 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1ccc(OC(C)=O)c(Br)c1 1529548903 PLTBEESGBUKRLH-KVURCKEDSA-N 589.468 3.259 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1O 6600441 JIMXPOXBLGMHST-MTDXEUNCSA-N 538.626 3.133 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=S)Nc3ccc(C)cc3)cc2)cc1 13134230 ZICPZKUURJZDKS-UHFFFAOYSA-N 511.629 3.063 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@@H]3Cl)[C@@H]2C1=O)Nc1ccc(Br)c(Cl)c1 408681632 FQFYYVBJYZIEFG-DQOWRFHUSA-N 538.609 3.050 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)cc1)NNC(=O)c1ccc(Br)cc1 408685608 LUJCVBVBWRPMOZ-YBZCJVABSA-N 609.260 3.037 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)ccc1O 408773056 PLLYQLZOGHTGSU-WGOQTCKBSA-N 513.572 3.154 50 40 KGGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cc(Br)cc(OC)c1O 409001612 JMJOKZCJHQJCDG-LLXCYVELSA-N 503.353 3.452 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)c2ccccc2OC)cc1 409026946 JSUQNJBJWLUONH-OVVQPSECSA-N 527.599 3.457 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1cccc(F)c1 409112077 BRPUWPYPUJLXKJ-MZJWZYIUSA-N 532.981 3.413 50 40 KGGB O=C(O[C@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O[C@H](CCl)CNCc1ccccc1)c1ccccc1 4285713 ZUAJUCVCIVWSBY-TZRRMPRUSA-N 539.968 3.463 50 40 KGGB C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 20214179 DMYQAHNDVSVERF-KOEQRZSOSA-N 510.528 3.102 50 40 KGGB CC1=C(C(=O)Nc2ccc(S(N)(=O)=O)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NC2CCCCC2)N1 98048559 LMFGZXWQFMKKGH-DEOSSOPVSA-N 555.682 3.444 50 40 KGGB C[C@H](c1ccccc1)N1C(=O)c2ccc(C(=O)OCC(=O)NNC(=O)c3ccc(Br)cc3)cc2C1=O 408687202 OLQCYZFCJUOGBS-OAHLLOKOSA-N 550.365 3.424 50 40 KGGB O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408809496 ODXATQSWUFEJOX-ULPWCQAASA-N 550.786 3.261 50 40 KGGB O=C(COc1ccc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1)NC[C@@H]1CCCO1 408997190 LTUYAWKXXNQPMU-AUIFSDOCSA-N 643.560 3.464 50 40 KGGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 409252356 SCBPJTPHLWJGKI-PSZMBVDESA-N 526.899 3.122 50 40 KGGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(Cl)c(Cl)c2)c1 9319546 SDYZGXQEVVYLIO-NSKAYECMSA-N 514.333 3.319 50 40 KGGB O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C\c1cccc(OCc2ccccc2)c1 97959552 WREMGHRCDLCUQF-VEILYXNESA-N 571.497 3.485 50 40 KGGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)cc2)cc(OC)c1OC 408536356 RCAOCIPWNIWFBO-DZELJBCFSA-N 685.431 3.184 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC#N)c(OCC)c2)c(OC)c1 408957702 VMTVZHFHDWVLMY-FKFLJXRVSA-N 691.479 3.321 50 40 KGGB CCOC(=O)COc1ccc(/C=N/NC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 1529547915 RMQPINNUGXKKJR-KIQZMAHNSA-N 633.521 3.276 50 40 KGGB C#CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548905 POCIAOHHNOVTHQ-PBSMGWKUSA-N 541.029 3.237 50 40 KGGB CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NNc3nc4c(C)c(C)ccc4s3)cc2)CC1 8683786 RZEVTLSRXGMYAT-UHFFFAOYSA-N 517.633 3.133 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CN(c3cc(C)ccc3OC)S(C)(=O)=O)o2)cc1 20212324 ACISPIGDVTUGQB-CVKSISIWSA-N 513.572 3.357 50 40 KGGB CC(C)(C)NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])C2=C(C#N)C#N 33354583 KSEAXNVGQIVVKR-UHFFFAOYSA-N 588.624 3.486 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408683433 HZWUSOFVOCUGPS-ZYGGUILKSA-N 558.267 3.215 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1O 408862982 OAYLFWXGWGCHTF-FZJZADEZSA-N 577.828 3.352 50 40 KGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2cccc(I)c2)S(C)(=O)=O)cc1 408923440 XUWGHIJOPLBBAJ-QQHUYRGFSA-N 529.400 3.385 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(I)c1OCC(=O)Nc1ccc(F)cc1 409154741 KKNDLIMYCUVMQN-KVSWJAHQSA-N 608.364 3.206 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OCC(N)=O 409224637 LATLGLJZJSIPKI-AWNIVKPZSA-N 536.282 3.008 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1cccc(C(F)(F)F)c1 408690603 WBEHUTGKNBCFOQ-CRWXNKLISA-N 570.156 3.109 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408691155 YMEYUVNBOFSILV-XHVUQVIVSA-N 552.798 3.072 50 40 KGGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 408870369 UTJQYJOIJBNTCN-UMGQPVNOSA-N 618.737 3.480 50 40 KGGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(I)c1OCC(=O)O 408905298 WTVKOAATEPVHQU-WNFQYIGGSA-N 539.238 3.182 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1Br 408993305 WCNAFZIVFBUUJP-HIDRHVPLSA-N 513.396 3.226 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409147196 VMNOYFDIUHLHDF-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 409185954 TWNCIFSFCVDHOE-OHPNAPQJSA-N 552.653 3.176 50 40 KGGB COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1 138578227 CDYZWUYITINRIW-QGZVFWFLSA-N 537.956 3.498 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2ccc(Br)cc2)cc1 162503087 IIQVPGLIXNBQTM-UXHLAJHPSA-N 629.533 3.341 50 40 KGGB COc1c(I)cc(I)cc1/C=N/NC(=O)Cn1c(-c2nonc2N)nc2ccccc21 163516122 YZYGXTARGNTFNT-LIMNOBDPSA-N 643.183 3.037 50 40 KGGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)NCc3ccc(C)cc3)cccc2OC)cc1 408610608 ONVAZMFVYPMTBN-OCSSWDANSA-N 518.570 3.186 50 40 KGGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccc2c(c1)OCO2 408723473 VPURFKDYBWOEAC-NGYBGAFCSA-N 536.063 3.094 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(Cl)c1 408943501 HQIWBIGPCZSSHO-QHCPKHFHSA-N 609.488 3.430 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1 409184062 IESVQPLLSXUDQT-ZLZXEHKWSA-N 594.690 3.105 50 40 KGGB CCOC(=O)COc1cc(Br)c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC 409370998 CBDGIGLXMFPGBY-FMCGGJTJSA-N 508.325 3.391 50 40 KGGB O=C(CNC(=O)c1cccc(Br)c1)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 1310407 RYLQIDVJLYDSAD-FAJYDZGRSA-N 505.372 3.289 50 40 KGGB O=C(N[C@@H](C(=O)N/N=C/c1ccc(Br)cc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 13785437 FFSPIKVWLGQHMM-ODDBZWQPSA-N 504.344 3.307 50 40 KGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]12 33959703 LODGWRLHSKDXBY-BHFUOBJASA-N 501.536 3.290 50 40 KGGB CC(C)c1ccccc1OCC(=O)NNC(=O)CCCCC(=O)NNC(=O)COc1ccccc1C(C)C 97940368 WHVUFLMCPXNKTE-UHFFFAOYSA-N 526.634 3.246 50 40 KGGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C1\C(=O)N(C)c2ccc(C)cc21 101018260 OOMPMMUKOZPZPQ-QJOMJCCJSA-N 511.170 3.404 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc(F)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409119282 SNCZGIHHCYTNBW-CVKSISIWSA-N 501.536 3.197 50 40 KGGB CCOc1ccc(NC(=O)COc2c(Br)cc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2OC)cc1 409162905 JKAYJHUQYCEIOF-XAZZYMPDSA-N 627.448 3.369 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409165841 AOEDSXNLYJZBDZ-JBUPRDAJSA-N 537.400 3.155 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 409257496 RVMCZBFLHHTLIS-IPPBACCNSA-N 508.497 3.104 50 40 KGGB COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 100047068 JXLSPXYYUMOROA-AMVVHIIESA-N 555.971 3.474 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1=O 408683432 HZWUSOFVOCUGPS-YVSFHVDLSA-N 558.267 3.215 50 40 KGGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NCc3ccccn3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 408834666 VSMYRLZMQGFIBQ-CAQPMQTCSA-N 559.648 3.449 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2c(OC)ccc3ccccc23)c(OC)c1 408921655 BUVKKXOQJVOFNJ-WZAVBVGXSA-N 532.553 3.187 50 40 KGGB CCOC(=O)COc1c(/C=N\NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(Br)cc1OC 408952053 JRSXTBCSLYNNTJ-YTYIVALLSA-N 677.505 3.128 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)ccc1OCC(=O)Nc1ccccc1 408999863 SNVWBUSVANVFDR-ROEFAFAFSA-N 697.745 3.273 50 40 KGGB COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 101005994 KPTBSIKPZNJFRU-WQRHYEAKSA-N 545.555 3.414 50 40 KGGB C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 408687066 UDBCEEOUEIPRGB-JIKSBOAXSA-N 602.441 3.034 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O)Nc1ccc(Cl)c(Cl)c1 408688540 QSKOLKQJKRYMCS-IWDIQUIJSA-N 571.049 3.397 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409024213 BTRGYEGAVSWLFX-JVWAILMASA-N 543.598 3.162 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)ccc2OC)c2ccccc2OC)cc1 409026488 QLZAGCKGVIAZGP-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB N#CC1=C(N)n2c(s/c(=C\c3cccc(I)c3)c2=O)=C(C#N)[C@H]1c1cccc(I)c1 97968842 IQDNXSMCLSSMKA-YSLLPBIDSA-N 634.240 3.070 50 40 KGGB CCOC(=O)C1=c2s/c(=C\c3ccccc3I)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1I 97968845 OTDQHKCCDZGGCS-LOHYDARVSA-N 681.293 3.110 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 408730545 HTMDWMDVUUCJTO-TURZUDJPSA-N 523.611 3.240 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC)c3)o2)c(OC)c1 408924906 QPRNJRPGXPFXSY-IXYNZTCPSA-N 576.562 3.072 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC)c(OC)c1 408951541 URXGCDPSWYWFQM-JOCHJYFZSA-N 591.484 3.351 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC#N)c(OCC)c2)c(OC)c1 408951977 JLGUNZKMXKVJDB-FKFLJXRVSA-N 600.028 3.370 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(CC)CC)c(OC)c1 408953652 MGNWYJRIEWUWDF-FNYQFALQSA-N 582.614 3.170 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Br)c1OCCOc1ccc(C)c(C)c1 408971787 LDPKRVCSLCZNHS-BRJLIKDPSA-N 534.436 3.659 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1 409175834 VMIDWLSGRLMINI-LGJNPRDNSA-N 503.397 3.450 50 40 KGGB O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)O)cc1 409382868 WTGRCIPXZWDXKW-NSOVKSMOSA-N 609.591 3.165 50 40 KGGB NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3NS(=O)(=O)c3cccs3)o2)cc1 2622058 VRAIBKIUQOWQLZ-ZVHZXABRSA-N 530.609 3.220 50 40 KGGB COc1c2c(cc3c1[C@@H](c1nnnn1-c1ccc(C(=O)N/N=C/c4ccc(Cl)cc4)cc1)N(C)CC3)OCO2 70670139 QPCSDHHWGLFBHP-RZRSPBPRSA-N 545.987 3.394 50 40 KGGB biogenic CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cccc2OC)cc1 408614496 CYGVIOAUFCKAMD-LQKURTRISA-N 520.542 3.209 50 40 KGGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(I)c1OC(C)=O 408757034 VZMGADSAWQDCFE-BHGWPJFGSA-N 519.295 3.302 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 408873628 UARXHFXCFDAYDA-PPDIBHTLSA-N 516.341 3.239 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1 408971451 OOEYJURFNMMVNJ-MZJWZYIUSA-N 534.038 3.566 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(Br)cc2)cc1OC 409163081 LQOUITNXJYDFNX-OKCVXOCRSA-N 583.439 3.293 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 409264944 MZQDOVWYFRYYOE-RWPZCVJISA-N 504.543 3.427 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(OC)cc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409270852 ROQRAMCYDDNAKG-KBVAKVRCSA-N 532.597 3.495 50 40 KGGB COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccc(Br)cc32)cc1OC 1870483 YAIGEHHDAALRQY-OFJQHSQRSA-N 558.433 3.127 50 40 KGGB COC(=O)COc1c(I)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC 100063336 WAWQNGUWFRLVJD-LSHDLFTRSA-N 561.170 3.307 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1OC 100328278 CHPMVVGJMCENPN-RDRPBHBLSA-N 571.652 3.113 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c2ccc(F)cc2)cc1 103902251 WXSQGIOEZIWIPY-ZZEVNCIZSA-N 582.654 3.154 50 40 KGGB O[C@H]1CC[C@H]2[C@H]1[C@@H]1[C@H](I)[C@@H]3[C@@H]4CC[C@H](O)[C@H]4[C@H]4[C@H](I)[C@@H]2[C@H]1[C@@H]43 104288737 QTTBMGMBEGMWKJ-YSFHPUCMSA-N 526.196 3.119 50 40 KGGB C[C@@H]1[C@@H](OC(=O)CCC(=O)NCCCC(=O)NCCc2ccc(O)c(O)c2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]24OO3 105382613 FSMRLDDRGQABHK-VXQOSYJQSA-N 604.697 3.184 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408678636 FXHDXYMMRXDAKG-JYUSNPHGSA-N 621.120 3.271 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c(C)cc1Br 408683937 NTQMLVQFROYYDJ-AYCMENBISA-N 621.120 3.326 50 40 KGGB O=C(Cc1cccc2ccccc12)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408742078 PBRMPANBYHPNSS-HUHXJTTESA-N 509.385 3.311 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)o1 408949573 RHEJYHDKZXPRCO-HSZRJFAPSA-N 513.620 3.011 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cn(CC#N)c2ccccc12 408951548 USXMEKDMMJTLAF-VWLOTQADSA-N 530.610 3.050 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409148422 YPAWKHVHVALOIR-LQKURTRISA-N 573.624 3.084 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1c(C)cccc1C 409169943 RVYMILVXYSTJIN-LGJNPRDNSA-N 503.397 3.450 50 40 KGGB N#CC1=C(N)n2c(s/c(=C/c3cccc(Br)c3)c2=O)=C(C#N)[C@@H]1c1cccc(Br)c1 2051392 UHBYSHZMUZZXAH-VPDFPHFYSA-N 540.240 3.386 50 40 KGGB COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c3ccccc3)cc2OC)c1 15945994 OZIAZWIDAOISDO-CTOFZRSPSA-N 504.543 3.049 50 40 KGGB CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2ccccn2c1C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 33355174 NUNSRQSEJXDQAG-WGOQTCKBSA-N 565.670 3.096 50 40 KGGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccc(NC(=O)c2ccccc2)cc1 408537481 VRDWHVBLMSWWFS-SODVTCOWSA-N 548.353 3.316 50 40 KGGB COc1ccccc1C(=O)Oc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 408682855 KAZHZHCBBJJVCS-DMAQGEDHSA-N 529.339 3.211 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)c1)NNC(=O)c1ccc(Br)cc1 408686688 NOLSKERYYGWTTI-VJQWSGFBSA-N 609.260 3.037 50 40 KGGB CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)cc1 408690625 WCWBNKUWADRRCV-OMIWWWDHSA-N 544.391 3.411 50 40 KGGB Cc1c(C(=O)N/N=C/c2cc(Br)cc(I)c2O)sc(N)c1C#N 408723859 WHLODRFPJBXXDB-PTXOJBNSSA-N 505.135 3.347 50 40 KGGB O[C@H]1CC[C@H]2[C@H]1[C@@H]1[C@H](I)[C@@H]3[C@@H]4CC[C@@H](O)[C@H]4[C@H]4[C@H](I)[C@@H]2[C@H]1[C@@H]43 104288745 QTTBMGMBEGMWKJ-IBBZUVAZSA-N 526.196 3.119 50 40 KGGB COc1ccccc1C(=O)N/N=C/c1cc(I)cc(I)c1O 104580573 LEODEZFRTDQJID-QGMBQPNBSA-N 522.080 3.374 50 40 KGGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c2ccccc21 409002545 OMKMBYJVKYJHIH-OVNXQDIVSA-N 530.585 3.224 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(OC)c2OC)cc1OC 100371964 BXZCBHWAADZQIY-MTDXEUNCSA-N 541.626 3.105 50 40 KGGB O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cc(Br)c(O)c(Br)c1 408732603 SKSCVZREFNMGAX-IFRROFPPSA-N 514.565 3.374 50 40 KGGB Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)COc3ccc(Br)cc3Br)C(=O)NC2=S)cc1 408759111 XYGAUOGZYURHMY-BEZFBIGFSA-N 568.247 3.065 50 40 KGGB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408833761 XZUQXABXVCVIIL-VUTHCHCSSA-N 579.635 3.332 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409255404 KBTGNLNWPTXNGK-WKULSOCRSA-N 508.962 3.441 50 40 KGGB COc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1OC 409318033 UMFHVTJQSRFDEA-WNFQYIGGSA-N 516.142 3.456 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 59435496 GFDLWHLWQFVLQP-JVWAILMASA-N 527.599 3.062 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(OCC(=O)Nc2ccc(Br)cc2)c(OC)c1 409157292 IEYRVMHKKAKDCF-OBPDLJBASA-N 631.265 3.445 50 40 KGGB C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1OC 409184762 NASDDSCIZRFLNE-AIHMMONASA-N 677.599 3.237 50 40 KGGB CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1 13573665 AXWJFTIPLITRHJ-YVTHNELYSA-N 522.421 3.480 50 40 KGGB CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)cc1 59884800 KXUYYLFBDWBTFQ-FKBXNUFCSA-N 566.680 3.128 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408665517 MIIOIKPKVBJJSQ-UHFFFAOYSA-N 517.966 3.410 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408867714 JWQCDFQOIPLIBC-OCSSWDANSA-N 582.679 3.261 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC)cc2OCC)c(OC)c1 408951366 IQPMMSZCAKHEEN-IRSOAJISSA-N 554.600 3.213 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1cc(Cl)ccc1Cl 409028612 QGYOOPVJAGKPBM-QPSGOUHRSA-N 523.192 3.401 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 100328317 JZZDRSKZMFIQKM-MTDXEUNCSA-N 538.626 3.046 50 40 KGGB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)cc1 408530410 FHNWMSIJCCGVMY-PXGAOIJESA-N 533.928 3.216 50 40 KGGB COc1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)cc1 408682819 HAXFRCOTTNHZIG-BQAIHONLSA-N 517.365 3.461 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)c(OC)c([N+](=O)[O-])c1 408950685 SGKTYVKDPQMJRJ-NRFANRHFSA-N 606.455 3.251 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 409168864 ODKJZWVUYBJFGA-OPEKNORGSA-N 537.798 3.247 50 40 KGGB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1cccc(O)c1 8820038 UMQPTVKNQDBIMH-NDENLUEZSA-N 513.597 3.344 50 40 KGGB C[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1)N(c1ccccc1)S(C)(=O)=O 20061145 UYCLGNCROLOPCV-UGQBDOJTSA-N 522.627 3.248 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 59443978 PKVKZOQNRFPKRN-OVVQPSECSA-N 511.600 3.096 50 40 KGGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O 408689448 RYHKEYVCJDHKEF-NLDQQRIVSA-N 552.636 3.358 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(C)C)c(OC)c2)c(OC)c1 408955754 PEEUDTIOODBHDC-KNHJPHDESA-N 568.627 3.459 50 40 KGGB COc1cc(C(=O)Oc2ccccc2/C=C/C(=O)NNC(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 409035576 JICUHIYPWGGRBS-SDNWHVSQSA-N 533.537 3.364 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1cc(C)ccc1C 409263466 LCOPAOVRCAVDBY-MUFRIFMGSA-N 512.607 3.101 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Br)c(O)c(OCC)c1 1529544580 JJXHNXOYBGGGFR-YDHBKFOLSA-N 591.484 3.438 50 40 KGGB COC(=O)C1=c2s/c(=C\c3cccc(Br)c3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccc(Br)c1 1872587 ILVGIRCERWMUJR-ZTXRYZOMSA-N 573.266 3.036 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3ccccc3C)[C@@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770448 XFZWFLPXBAKKSZ-CTNGQTDRSA-N 504.568 3.152 50 40 KGGB COc1ccccc1/C=N/NC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 59443723 IUIYFESGURGEEV-OVVQPSECSA-N 508.600 3.037 50 40 KGGB CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCC(=O)NCc3ccccc3)CC2=O)cc1 408605524 KNYJEUWBOFKTGG-JOCHJYFZSA-N 516.598 3.449 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408664345 QDMPDTBNIYPPQQ-UHFFFAOYSA-N 503.939 3.020 50 40 KGGB Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)cc1 408689442 YDUNHEQPESFLOW-QYRJXPSASA-N 549.395 3.060 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1 408865633 DEFXCBZHQWQFMB-UTTKBSPJSA-N 648.763 3.488 50 40 KGGB COc1cc(C)c(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)cc1C(C)C 408998780 CAYUPRUXFOKHIJ-ARRZVALTSA-N 590.677 3.298 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccccc1CC 409153005 GSQXTAXOABQPRN-WCMJOSRZSA-N 546.580 3.160 50 40 KGGB Cc1cccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)NNC(=O)c2ccc(Cl)cc2)c1 409382981 SLZVMIBYCKDEBQ-FGZHOGPDSA-N 538.940 3.254 50 40 KGGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1O[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@H]21 2152351 LODGWRLHSKDXBY-NIHXIFNESA-N 501.536 3.290 50 40 KGGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NC[C@H]3CCCO3)o2)S(=O)(=O)c2ccc(Cl)cc2)cc1 104736514 DCLXMAPEKMUFBE-SQBGJFPKSA-N 573.071 3.378 50 40 KGGB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC1CC1 408607148 BZANJBJFVFVBEM-KIBLKLHPSA-N 521.799 3.466 50 40 KGGB CCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408663328 HQKAYXNUMOWUET-UHFFFAOYSA-N 503.939 3.020 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cccc2ccccc12 408677680 DYCAMTBPEJTPIL-IOGQTDPRSA-N 564.230 3.099 50 40 KGGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc(OC(=O)c2cccs2)cc1 408685351 PDVUJUUOOZFHPE-YWALVYIISA-N 505.342 3.264 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OC(C)=O 408763494 FVWXWSDYHYMICD-RNRKLAHPSA-N 601.463 3.377 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OC)c(OC)c2)c(OC)c1 408949840 GGPLUPFNJDRHEU-RQDDCGEVSA-N 560.991 3.086 50 40 KGGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2 409123944 JFYRHLABFVPORR-ZMOGYAJESA-N 563.373 3.366 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 409266217 PUWHLVYCKOATSO-WKULSOCRSA-N 512.607 3.019 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 409336268 RHCRVQCLUHJSLT-WOJBJXKFSA-N 513.959 3.236 50 40 KGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)S(C)(=O)=O)cc1 59886637 BMDDUZCXRBGLCA-CLCAUBNZSA-N 544.674 3.218 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Oc2ccccc2)cc1 100378693 OERQHBWHACRSKR-OVVQPSECSA-N 553.597 3.140 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 408829427 JOQXBZFWNHNMDT-JFLMPSFJSA-N 545.017 3.282 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O 408842612 OZSGDSKKQFSPSL-CCVNUDIWSA-N 563.007 3.422 50 40 KGGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(I)c2)c(F)c1 408963740 AOCXQNOZZRPADR-QPJQQBGISA-N 546.090 3.292 50 40 KGGB Cc1cccc(C(=O)O[C@H](C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)[C@@H](OC(=O)c2cccc(C)c2)C(=O)O)c1 409379052 UTGUNIHNBFXSES-LOSJGSFVSA-N 589.601 3.195 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)cc1OC 1529544846 PYFWYIOWKXDGRI-SJHQEIOHSA-N 553.685 3.426 50 40 KGGB COc1cc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc(Br)c1OC 958300 YHCWWAPPDORHML-PGGKNCGUSA-N 505.394 3.267 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 9056599 DBCVFBSIFJRLHH-DHRITJCHSA-N 517.951 3.306 50 40 KGGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1)S(C)(=O)=O 20212381 ZOJNOERQEHHABH-SSDVNMTOSA-N 501.834 3.393 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(C)cc2)cc1Br 20233238 AADLIUAPJFFTGD-UHFFFAOYSA-N 523.453 3.159 50 40 KGGB COc1c(Br)c(C[C@@H]2CC(C(=O)N/N=C\c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2 36556692 VULRSVHFQOCICZ-YSYNTMSLSA-N 508.300 3.172 50 40 KGGB Cc1c(Br)ccc(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)c1C 95471449 ZQLZUUINBVQGQK-LCYFTJDESA-N 502.281 3.216 50 40 KGGB N#CC1=C(N)n2c(s/c(=C/c3ccccc3I)c2=O)=C(C#N)[C@@H]1c1ccccc1I 97972354 BEGARCXCCJLURJ-MMWCCMKASA-N 634.240 3.070 50 40 KGGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl)c1ccc2c(c1)OCO2 102188404 YMGDEUYITCOKSP-LFDSPBCOSA-N 550.993 3.339 50 40 KGGB Cc1c(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Cl)[C@H]4Cl)[C@@H]3C2=O)ccc(Br)c1Cl 408687883 PNIFJEXQBVLWHF-OOFZYZNESA-N 552.636 3.358 50 40 KGGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Br)cc1 408784711 SAIDZDOBPUIHNB-KSEXSDGBSA-N 584.246 3.372 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c(OC)c1 408923729 KYVKUYTWMXKZGR-MSXNQDMMSA-N 545.596 3.433 50 40 KGGB CCOC(=O)COc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408945608 LDFIVJLAYZAIFC-RUZDIDTESA-N 680.521 3.118 50 40 KGGB CCOc1cc(/C=N\NC(=O)COc2nc(C)cc(COC)c2C#N)ccc1OCC(=O)Nc1ccccc1OC 409011347 HHDXMQOPPJTRDD-BVMLUPFRSA-N 561.595 3.362 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F 409267180 TUYDIOMPHJKUEK-XKJRVUDJSA-N 518.448 3.091 50 40 KGGB O=C(COc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)NCC(=O)Oc1ccc([N+](=O)[O-])cc1 2098317 OVZQBBXQPNWDSI-UHFFFAOYSA-N 532.461 3.240 50 40 KGGB biogenic COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/C(=O)c1cccc([N+](=O)[O-])c1 3113229 MMMQPDKIPFKBPP-DNTJNYDQSA-N 515.114 3.492 50 40 KGGB COC(=O)C[C@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@H](c3ccc(OC)cc3)C(C#N)=C(N)N2C1=O 3770090 WHKWPZXBVUJWLV-TZIWHRDSSA-N 504.568 3.152 50 40 KGGB COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccccc1 103767344 CJVHGWAJVXABKR-UHFFFAOYSA-N 543.399 3.126 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)c1C 408646542 PWBURLIYHZRZJJ-UHFFFAOYSA-N 510.772 3.442 50 40 KGGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1 408749104 LKKVAQINXFGXBR-ODCIPOBUSA-N 563.142 3.298 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 409185265 KQOQAYKWAYIJLB-UXHLAJHPSA-N 551.625 3.348 50 40 KGGB CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)S(C)(=O)=O)cc1 20209038 YWQLUSOMNIBQKP-CVKSISIWSA-N 503.621 3.447 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1 408787420 ZXVNQFKKJHZJDR-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409154512 BFYRYZAXIQPIGE-LGJNPRDNSA-N 503.397 3.450 50 40 KGGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1Cl 409000618 UIFBTPBDIHMZNG-MSXFZWOLSA-N 543.789 3.315 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409023899 FBKCPSQMHQMQFT-JVWAILMASA-N 541.582 3.146 50 40 KGGB CC(C)CNC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 409109411 DGMSENILNZUJNM-VTNSRFBWSA-N 598.653 3.094 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409161156 WXVQARFWOAMLIO-OCSSWDANSA-N 502.571 3.139 50 40 KGGB CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 59490206 NDOVKFDUVHBUDM-JVWAILMASA-N 513.547 3.341 50 40 KGGB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1[C@H]3C4C5[C@]1(CCI)[C@]5(CCI)[C@H]2[C@@H]43 104287632 XBITYSUNEFXMDL-BGPWXKBGSA-N 587.199 3.039 50 40 KGGB CCOc1cc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)cc(I)c1OCC 105511423 IUZBPXADBVWICB-OPEKNORGSA-N 552.369 3.339 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1 408799294 HCFIJUYWHZPAQE-UZWMFBFFSA-N 651.767 3.409 50 40 KGGB CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 15135275 BYMKLJIYDHSCBK-CCVNUDIWSA-N 508.462 3.232 50 40 KGGB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 102994975 JISXPXUCFLMLSP-UHFFFAOYSA-N 612.711 3.384 50 40 KGGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)cc(I)c2O)c1 104580562 YRTCUKARDRXOBU-UFWORHAWSA-N 552.106 3.383 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)O 408884944 WCZVXXKQTDPFSS-LLXCYVELSA-N 588.864 3.268 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)c(OC)c1 408949726 FYJOKEJQQDFGCU-SGKVZYEOSA-N 623.446 3.274 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409154970 PCOIYDYCXSOFFP-VVEOGCPPSA-N 644.422 3.121 50 40 KGGB Cc1ccc(Cl)cc1NC(=O)COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NC1CC1 409273218 WDVFMMBXRBXVCD-YSURURNPSA-N 507.772 3.157 50 40 KGGB Cc1cc(C)nc(SCc2nnc(SCC(=O)NNC(=O)Cc3ccccc3)n2-c2ccccc2)n1 2074588 FPUKRSPGBFTSKB-UHFFFAOYSA-N 519.656 3.449 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C\c2ccc(OCC(=O)NCc3ccco3)cc2)cc1 100070845 BWOPBRUPEKAPIH-GXBUFBABSA-N 631.711 3.317 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)cc1Cl 100292994 UKKXYTKNMNSLRR-OGLMXYFKSA-N 588.042 3.439 50 40 KGGB CC(C)N1C(=O)/C(=N\NC(=O)CCCCCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)c2ccccc21 102920742 GJJIHXOXOQIHQP-YUGUBMJKSA-N 530.629 3.488 50 40 KGGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408678122 CPGDDCLQYPMJTR-JXYJOFSCSA-N 544.310 3.111 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C(C)C)cc1 408753070 LGIXSJXZTSVHRG-NHVVDLMHSA-N 574.637 3.124 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc(Br)c1O 408882473 NHCLBORYXCZJHY-NUGSKGIGSA-N 524.315 3.098 50 40 KGGB C#CCOc1ccc(Cl)cc1C=NNC(=O)COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OCC 408948585 POCIAOHHNOVTHQ-XMMPIXPASA-N 541.029 3.237 50 40 KGGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1 408997744 HNFSVFKSYXYISH-DSLAYPBOSA-N 524.375 3.172 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)cc(Br)c1OCC(=O)O 408999918 UESFUBVBNASYNQ-IPWRAFNYSA-N 580.432 3.481 50 40 KGGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409374960 CEQZCKAVWXPQGX-FCHUYYIVSA-N 602.383 3.249 50 40 KGGB CCCCN(CCCC)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])/C(C)=N\NC(=O)C[N+](C)(C)C 5809914 UOAMPZWVUJHLKD-XGDNCFSYSA-O 522.627 3.158 50 40 KGGB C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN(C)C)c2ccc(Br)cc21)c1ccc(Br)cc1 96022635 HWZYSLQTPXNVKL-FGPKQPKPSA-N 551.239 3.338 50 40 KGGB C[C@H](NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)NCc1ccco1)c1ccccc1 408606731 ANILFACZOZQIQP-BYEGDDEQSA-N 527.375 3.065 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1C 408872035 JHXIELNXSVHIQL-ICLYNSGKSA-N 578.691 3.323 50 40 KGGB CN(C)c1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1Br 408879693 COLNEFISUVWDLE-QMFLXTPQSA-N 513.845 3.472 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC[C@H]2C)=C(C#N)[C@@H]1c1cccc(Br)c1 409316671 ZIDSHSYOBFBABJ-VMDGZTHMSA-N 506.422 3.321 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cc(Br)c(OC(C)=O)c(OC)c1 1529548432 GDWUPCIMZWZLDM-GLYJQWOCSA-N 619.494 3.268 50 40 KGGB COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 59472974 QEXWTVRXPCDMHU-KOEQRZSOSA-N 512.544 3.348 50 40 KGGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408536886 SZOCBUVHWCQWCA-OCDFDOOFSA-N 521.961 3.191 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC)c(OC)c1 408922078 DWOGPPDAGHOZPF-AIZXLIHESA-N 575.416 3.186 50 40 KGGB C#CCOc1ccc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1I 408952636 WJHYYGHTAZCRLN-DEOSSOPVSA-N 632.480 3.188 50 40 KGGB CSCC[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 103551949 IBJXLVDWIALGNG-RZSPCITHSA-N 573.303 3.312 50 40 KGGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 103864530 VJBMBTBFLSCWJF-KSEXSDGBSA-N 603.211 3.323 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c(C)cc1Br 408680432 GGANKECAGDQFAO-NKFXAPPTSA-N 501.171 3.119 50 40 KGGB Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1Cl 408687000 OEWYJUVDMJDVSW-WWEGZTGJSA-N 576.669 3.297 50 40 KGGB C[C@H](NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1)c1ccccc1 408810052 OWGWUBPXWOONFX-PFFIHKFBSA-N 530.368 3.169 50 40 KGGB C=CCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 408940403 CGZMQIAFRJPWHC-XMMPIXPASA-N 508.600 3.136 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OCC(C)C)cc2)c(OC)c1 408957767 VTVPRTCJKMNPHV-WZAVBVGXSA-N 538.601 3.450 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2ccccc2OC)cc1 409024567 DVTNCSYIYXTKBW-OVVQPSECSA-N 525.583 3.211 50 40 KGGB O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 409133456 MOELCPMOCGLPRZ-ZVHZXABRSA-N 563.373 3.335 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c1 409263125 ACYLOAQNNQZDEZ-KWJLSGNOSA-N 503.397 3.448 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Br)c1OCCOc1ccc(C)cc1 2304673 ROCJQMYBQSZPFQ-WYMPLXKRSA-N 520.409 3.350 50 40 KGGB CCn1c(C)nc2cc(C(=O)N/N=C/c3c(Sc4nnnn4-c4ccccc4)nc4ccccn4c3=O)ccc21 3178866 PIWDSRQXYMYUAU-LQKURTRISA-N 550.608 3.263 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)c1 19950508 ISXOUJBLTGYXOU-WGOQTCKBSA-N 513.572 3.067 50 40 KGGB C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1ccc(I)cc1 97962827 LAHPCHLSLCNTEW-LFVJCYFKSA-N 534.379 3.422 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCC(=O)N1CCOCC1 409018188 YHEFMRORCNHLJN-RDRPBHBLSA-N 504.587 3.494 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2ccccc2Cl)c(OC)c1 409172992 HBKRNDWLKDGJEX-BTIIEKFUSA-N 539.814 3.493 50 40 KGGB COC(=O)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 409313688 QOYVDUJPXBOCIX-WOJBJXKFSA-N 513.959 3.236 50 40 KGGB CCCNC(=O)CSC1=C(C#N)[C@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@H](C(=O)OC)C(=O)N1 409321924 JWLYBBCNNVVABR-IRXDYDNUSA-N 500.404 3.389 50 40 KGGB COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1cccc(Br)c1 409322758 KVLPCMNNCWFLLM-PMACEKPBSA-N 514.401 3.236 50 40 KGGB O=C(CNC(=O)c1ccccc1Br)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 1244805 AWJBSKDMMZRVNG-FAJYDZGRSA-N 505.372 3.289 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 100343990 ZDZVCVNKCYSUCE-MTDXEUNCSA-N 567.624 3.094 50 40 KGGB Cc1cc(C)nc(SCC(=O)NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)n1 102994765 TVSGXCULJGQPFO-UHFFFAOYSA-N 539.561 3.466 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1 408861083 MKENVTWZSQJBPG-JVWAILMASA-N 509.584 3.201 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1OC 409168075 LFRUUAXLHDRFGZ-WCMJOSRZSA-N 553.015 3.492 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccc(F)cc3)C2=O)cc1OC 8819500 ITWLCWVVEASXJZ-UYRXBGFRSA-N 503.577 3.286 50 40 KGGB COc1cc(/C=C/C(=O)NNC(=S)Nc2cccc(Cl)c2)cc(S(=O)(=O)NCc2ccco2)c1OC 97980625 NAGQWEKNNCWTHW-CMDGGOBGSA-N 551.046 3.460 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408686426 NCGULPZEFMAEHM-PWNYLBOHSA-N 628.314 3.149 50 40 KGGB O=C(COc1cccc2cccnc12)N/N=C/c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408756816 URBWFSMCRGVEAH-CVKSISIWSA-N 506.496 3.440 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)S(C)(=O)=O)cc1Cl 408779239 SPEXKZVOFFGSOY-CVKSISIWSA-N 515.975 3.484 50 40 KGGB COc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(OC)c2)C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1 409384190 BWLFNXQBCIXOOO-VXKWHMMOSA-N 605.383 3.307 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cn(C)c2ccccc12 1529547852 PWWDEOBHPLJLDX-SJYQVLOXSA-N 505.600 3.063 50 40 KGGB O=C(N/N=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1cccc(S(=O)(=O)N2CCOCC2)c1 3525993 IACYEPUKJFFTHX-ZZIIXHQDSA-N 539.013 3.042 50 40 KGGB COc1cc(/C=N/NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)cc([N+](=O)[O-])c1O 36129140 GPBOJGFTYBVBBQ-RIKKZDTDSA-N 503.515 3.296 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)CCN3C(=O)/C(=C\c4ccc(OC)c(OC)c4)SC3=S)C2=O)cc1OC 150443659 YMBFEXLPQRJHAS-HCRUVJSOSA-N 688.831 3.361 50 40 KGGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc(OC(=O)c2cccs2)cc1 408685348 PDVUJUUOOZFHPE-DJQNJWNESA-N 505.342 3.264 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cccc(Cl)c1Cl 408689968 ZYTOWCKOEQFXDX-DBAFEQAGSA-N 583.060 3.253 50 40 KGGB COc1cc(/C=N/NC(=O)c2ccc(I)cc2)cc(I)c1OCC(=O)O 408711646 CTWPMZBJGWONFJ-DNTJNYDQSA-N 580.116 3.132 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(I)c1OCC(=O)OC 408788891 MWCOHXVXFUQACH-RIYZIHGNSA-N 522.295 3.493 50 40 KGGB Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1 408821137 CVRQRIFGGPXTCU-FMCGGJTJSA-N 516.377 3.241 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408863111 LBHNENGZIMFQOO-LQKURTRISA-N 538.626 3.246 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Br)cc(OC)c1O 408939472 AXKTXAVGFGIPMG-OAQYLSRUSA-N 577.457 3.048 50 40 KGGB CCCOc1c(Br)cc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc1OCC 409007772 QTFOUOIOHBTMER-RPPGKUMJSA-N 519.396 3.275 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(I)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409161976 XYHZFRDEFKNBIU-MYTNFEDCSA-N 642.878 3.415 50 40 KGGB CCOC(=O)C1=C(CSc2nc(C)cc(N3CCOCC3)n2)OC(N)=C(C#N)[C@@H]1c1ccccc1F 16682549 HTVWKGXGKOQTNO-NRFANRHFSA-N 511.579 3.178 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)cc1OC 409185482 LWJPLYLDGMTQFE-KCSSXMTESA-N 606.657 3.338 50 40 KGGB Cc1ccc(CN2CCN(CC(=O)N/N=C/c3cc(Br)cc(Br)c3O)CC2)cc1 1478178 AANNXTXWBGWJBK-WYMPLXKRSA-N 524.257 3.494 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(OC)cc2)cc1OC 409027469 DOGRYKJDGJAONR-JVWAILMASA-N 557.581 3.203 50 40 KGGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529547673 OBOFNZKHVAAYNJ-GHSKZQDZSA-N 571.055 3.246 50 40 KGGB COc1cc(/C=N/NC(=O)CNc2ccc(I)cc2)cc(Br)c1O 59720772 ZKPRYNYXEHMDBK-DNTJNYDQSA-N 504.122 3.330 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)cc(Br)c1O 97980750 GKDATDVBKIJUST-WDBPGAOMSA-N 572.210 3.021 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Br)c1OCC(=O)O 409003914 VXRXQOIGQJZDFC-DEJQIQRUSA-N 588.415 3.022 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccccc3C(F)(F)F)c2)cc1 409269623 KVEACTXFTWJNKD-IBBHUPRXSA-N 528.487 3.498 50 40 KGGB Cc1cc(SCC(=O)NNC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)cc1Br 3247327 VDJSTFWRRDQTCQ-UHFFFAOYSA-N 573.560 3.197 50 40 KGGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 100903986 GLRPGNFOWKEXCY-GLNPCMGASA-N 519.366 3.004 50 40 KGGB N#C/C(C(=O)NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C(/O)c1ccc([N+](=O)[O-])cc1 102576697 GPBDFTBKFDEOPP-UHTNZGNBSA-N 506.474 3.311 50 40 KGGB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cc1 102909041 HATHMJWJHDXJAZ-QHCPKHFHSA-N 544.637 3.365 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc1Br 408691112 YGXWFRDAJFRTIO-WWEGZTGJSA-N 621.120 3.406 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)ccc1O 409367816 LUABTYCRUUAKDZ-YUMHPJSZSA-N 511.600 3.449 50 40 KGGB N#C/C(C(=O)NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C(/O)c1ccc([N+](=O)[O-])cc1 102042182 GPBDFTBKFDEOPP-MEUPMLLFSA-N 506.474 3.311 50 40 KGGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cccc2OC)cc1 408612322 UZECKXFQWPUWTN-RWPZCVJISA-N 504.543 3.427 50 40 KGGB COc1cccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)c1 408682375 GENVJGYRWKNXOE-BQAIHONLSA-N 517.365 3.461 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl)Nc1ccc(Oc2ccccc2)cc1 408684086 JKTDTWGGYMOHBL-XLQOOHLRSA-N 517.365 3.426 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)c(OC)c1 409256897 QNLFEAOQFHUNKQ-QAYGKXGKSA-N 533.423 3.457 50 40 KGGB Cc1ccc(C)c(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 4178390 CVSLOFTYQTXNNZ-WNLGLVQYSA-N 541.236 3.197 50 40 KGGB COc1cc(-c2n[nH]c3c2[C@H](c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc(OC)c1OC 8410186 ZFSJOSSPZFYDLX-OAQYLSRUSA-N 533.541 3.152 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]23)OCCO1 112256062 IRGPNVFSCSCFSJ-GCSAOIHPSA-N 566.570 3.401 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027190 BUGNDPKHBPIXAP-WPWMEQJKSA-N 527.599 3.457 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)c2ccc(F)cc2)cc1OC 409127650 FCBCUXHKGZDFJM-OGLMXYFKSA-N 543.573 3.350 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(I)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409171346 ZNCYLJFYDAFWTQ-MZJWZYIUSA-N 602.385 3.415 50 40 KGGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(N(C)C)cc2)Cc2ccccc2)c1 409373898 ZOACSSIODNOMCV-PKAZHMFMSA-N 510.616 3.111 50 40 KGGB O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(S(=O)(=O)O)o1 97957604 ZAZAKHPOQSEVFP-YAXRCOADSA-N 561.002 3.343 50 40 KGGB COc1ccc(/C=C2\SC(=S)N(CCCC(=O)NNC(=O)c3ccccc3[N+](=O)[O-])C2=O)cc1OC 101005728 OATJJEKNZBPKKW-UYRXBGFRSA-N 530.584 3.055 50 40 KGGB CCOc1cc(Br)c(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC 101311326 DFSDXSQWXZMUJM-NCRQFPCZSA-N 511.847 3.087 50 40 KGGB O=C(N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 408861566 SPIPSNONYQPSKR-XYHOIZSOSA-N 515.773 3.314 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Cl)ccc2OC)c(OC)c1 408921550 AQZWUFNDNJKRDZ-VVKUOSDESA-N 530.965 3.077 50 40 KGGB C=CCOc1ccccc1C=NNC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 408945733 LIBYASKREXWXLO-DEOSSOPVSA-N 508.600 3.136 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C 409167246 HPFLYYIXNLJLPS-KVSWJAHQSA-N 557.401 3.452 50 40 KGGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(I)c1OCC(N)=O 409227158 SREYJLRYVMWIFH-RIYZIHGNSA-N 521.311 3.108 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2)cc1OC 409262070 CLQWROZZXOOGPV-KBVAKVRCSA-N 532.597 3.147 50 40 KGGB CCOC(=O)COc1cc(Br)c(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529548069 WSPXNEMDQLIBGH-UHBQPSNTSA-N 663.547 3.285 50 40 KGGB N#CC1=C(N)n2c(s/c(=C/c3ccc(Br)cc3)c2=O)=C(C#N)[C@H]1c1ccc(Br)cc1 2334276 XCGGMIQEFLEQBM-XSORJCKLSA-N 540.240 3.386 50 40 KGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 14360881 RQUOKDJLDWZSBT-OAQYLSRUSA-N 525.583 3.129 50 40 KGGB CC(C)[C@H](NC(=O)[C@@H](CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)OCc1ccccc1)C(=O)O 150378239 OZZAPQKIAFTDKA-QYOOZWMWSA-N 706.840 3.409 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc(Br)c1OC 408843173 RSZIJPLKCBVBMW-UFFVCSGVSA-N 504.790 3.036 50 40 KGGB CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccc(C)cc1 408862732 HRIPOLCZIHUIPH-VIMSVTEUSA-N 608.717 3.413 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409025776 WIOCETWJCFHANW-FDAWAROLSA-N 612.705 3.352 50 40 KGGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)cc1 409373649 XJTTVTYIUBZTFF-UFWORHAWSA-N 549.106 3.324 50 40 KGGB O=C(CCCCCN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)NNC(=O)c3ccc(O)cc3)C2=O)SC1=S)NNC(=O)c1ccc(O)cc1 150453482 MYCKKHSHINPXPH-OCEACIFDSA-N 758.926 3.373 50 40 KGGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)c1OCC(=O)Nc1ccccc1C 408610279 NERIPZPTCNFIRO-WKULSOCRSA-N 508.962 3.441 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(OC)c(OC)cc1Br 408954803 ZRTDAZDTIWFAMD-HSZRJFAPSA-N 591.484 3.351 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(I)c(OC)c(OC)c1 1529545025 UEFYLWQSJREWFY-UAXWITGPSA-N 638.484 3.193 50 40 KGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c1 3205043 AVQQZWFAKFYLBN-UHFFFAOYSA-N 529.372 3.345 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(I)c1OCC(=O)OC 8812444 OKXCWVULUDVDSV-LSHDLFTRSA-N 500.264 3.145 50 40 KGGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Cl)[C@@H]1Cl 408689446 RYHKEYVCJDHKEF-JNNVPEBJSA-N 552.636 3.358 50 40 KGGB COC(=O)COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408792422 BINMSOJDQORFBJ-OVCLIPMQSA-N 503.305 3.342 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1)c1cccc(Br)c1 408857489 HFHICRKJFOHBPO-CVKSISIWSA-N 565.490 3.193 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(OCC)c1 408946980 NFTLWCPZXMNAHD-RUZDIDTESA-N 619.096 3.176 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(Cl)ccc1OCC#N 408952724 WRFCHXVPEWGHGZ-QHCPKHFHSA-N 542.017 3.127 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)ccc1O 409117769 MUDNPXJFQPGEFG-JFLMPSFJSA-N 531.562 3.293 50 40 KGGB O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)c1ccc(Cl)cc1Cl 408645787 IIJFGRNEASTQIO-DZRDUMEESA-N 510.997 3.416 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Cl)[C@H]3Cl)[C@@H]2C1=O)Nc1cc(C(F)(F)F)ccc1Cl 408687565 PBIAZZDGVJZZOP-YMKLRKBFSA-N 527.710 3.306 50 40 KGGB COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 408866515 GDSGXVJJBSXYSC-VEMGOHLESA-N 524.599 3.018 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccc(N(CC)CC)cc1O 408948878 PXHFVHXMFNNXRJ-VWLOTQADSA-N 539.658 3.123 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(=O)O 408970473 ISNNTSKBZLLIOR-SDHJZUEUSA-N 564.433 3.290 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1OC 103896050 CWNJEYVJZAVCLW-JVWAILMASA-N 557.581 3.203 50 40 KGGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 408937629 KILLWCUTPZFSKF-AFUMVMLFSA-N 530.400 3.489 50 40 KGGB C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)N[C@H](C(=O)O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 72332939 UUEZBKXLUNDXSZ-ZDIZFIBTSA-N 517.575 3.460 50 40 KGGB Cc1ccccc1OCC(=O)N/N=C/c1cc(I)cc(I)c1O 98001270 BTFPWEXJCDXSEI-UFWORHAWSA-N 536.107 3.439 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 408680710 DTHRWPQYAZYCBY-JHWMSLHWSA-N 628.314 3.292 50 40 KGGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1cccc(Br)c1 408779734 JFJDKLOXLJVXFC-KSEXSDGBSA-N 584.246 3.372 50 40 KGGB COC(=O)COc1c(Br)cc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)COc2ccccc2C)cc1OC 408970854 LGWCFJFMSZBCNB-VEHYKRGWSA-N 578.460 3.378 50 40 KGGB CCc1ccc(NC(=O)COc2c(I)cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc2OC)cc1 409168572 MWNOGPDKZXPKFL-WKULSOCRSA-N 624.476 3.261 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409267022 RJANDPDVCFKFIF-CCVNUDIWSA-N 518.998 3.056 50 40 KGGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OCC)c2)cc1OCC 409311322 FWHRBUKCNMODGI-ZMFRSBBQSA-N 520.380 3.439 50 40 KGGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(=O)OC)cc3)[C@@H](C(=O)OC)C(=O)N2)cc1 409324193 RMFCGQASAQLWIZ-FGZHOGPDSA-N 507.568 3.145 50 40 KGGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc(OC)c2OC)Cc2ccccc2)c1 409368837 PESXVPIRMOYYEK-YUMHPJSZSA-N 527.599 3.062 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c(OC)c1 58881904 UNQBMBRLRMVFQJ-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)C(=O)N/N=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)o2)c1 97963038 RJQNBAWJQNXASC-CMNXJCJSSA-N 542.504 3.380 50 40 KGGB O=C(CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cccc(C(F)(F)F)c1 102072130 DEMWVQANCKHZPI-LRWRMMADSA-N 524.131 3.422 50 40 KGGB CS(=O)(=O)N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(Cl)c(Cl)c1 408913903 VBHRZYFCSSNFCY-QPSGOUHRSA-N 523.192 3.401 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1I 409230318 YFLTVIYWVHOCJO-GZIVZEMBSA-N 654.268 3.487 50 40 KGGB O=C(NNC(=O)[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)O)c1ccccc1 409376268 WNUZKHWJTAJYEY-UXHICEINSA-N 545.331 3.290 50 40 KGGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C\c1ccc(O)c(I)c1 36020229 ZJWWWPSWOJSOSO-WGARJPEWSA-N 513.335 3.395 50 40 KGGB Cn1cc(I)c(C(=O)N/N=C\c2cc(Br)cc(Br)c2O)n1 100268664 GLKPBLUWFKAMJT-XRVIQIRUSA-N 527.942 3.019 50 40 KGGB COc1cc(I)c(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1OC 408850631 PWCFSXDGXVQNFH-FZJZADEZSA-N 577.828 3.265 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 409172898 GLPMKHGFHUIHEL-CJOYWQKLSA-N 537.400 3.155 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409255201 ZJTPUADJUPGJAH-WKULSOCRSA-N 508.962 3.441 50 40 KGGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(Br)c2)cc1OC 409304903 TUSILMNUYXCZLV-AQHIEDMUSA-N 529.185 3.247 50 40 KGGB Cc1c(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OCc2c(Cl)cccc2Cl)nnn1-c1nonc1N 2340411 LXKRSBFQPLBESS-KTZMUZOWSA-N 532.304 3.099 50 40 KGGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c2cc(C)ccc2C)cc1 408860307 YLDXPPOAEYIOGM-ZCTHSVRISA-N 578.691 3.195 50 40 KGGB CCOC(=O)COc1c(Br)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408948651 PRNUATLJBMXIMR-VWLOTQADSA-N 663.547 3.285 50 40 KGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OCC)c1)c1ccccc1 409001798 KNYGWLRAMBSPTO-PYGAFPFSSA-N 583.379 3.481 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)COc2cccc3cccnc23)cc1OC 409022879 VIYHXCSLAOXEFH-ZRGSRPPYSA-N 516.348 3.477 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)cc1C 409152286 JZDOIXZWWGSGEI-CCVNUDIWSA-N 547.450 3.465 50 40 KGGB CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 13575028 DVRNYVBYYXNLBG-NJGKLKBPSA-N 501.605 3.424 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816849 XUMPTGBPXCBTES-WPWMEQJKSA-N 510.616 3.424 50 40 KGGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCc1ccccc1C#N 59247043 CZNAEULOSBVZNC-WGARJPEWSA-N 501.381 3.081 50 40 KGGB C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccccc21)[C@@H]1OC=CS1 61868572 UCAXXJZWJQPDLQ-QAMXAAEBSA-N 520.615 3.386 50 40 KGGB CCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 138626895 TUXUCYAEFYULFB-UHFFFAOYSA-N 503.939 3.020 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cl 409251570 PRAFHBSJEHHXHB-DKZNWEEVSA-N 509.788 3.485 50 40 KGGB COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OCC(=O)N/N=C/c1cc(Cl)cc(Br)c1O 3116003 UZQVTUBROXTCCV-KPSZGOFPSA-N 503.649 3.162 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3ccc(C)cc3C)[C@@H](c3cccc(OC)c3)C(C#N)=C(N)N2C1=O 3770109 BPIFOBUFVXHOCK-UNMCSNQZSA-N 518.595 3.461 50 40 KGGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NNC2=c3ccccc3=NC2=O)cc1 59856370 NROTXURGUWLSJT-UHFFFAOYSA-N 559.047 3.247 50 40 KGGB CCOc1ccccc1OCC(=O)NNC(=O)c1ccccc1SCC(=O)NCCc1ccc(OC)c(OC)c1 103034331 QDBRLMXYMNXUBT-UHFFFAOYSA-N 567.664 3.394 50 40 KGGB CCOc1cc(C(=O)NN/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2CC(=O)OC)cc(OCC)c1OCC 103919678 VWEPNNYSRBRHCN-JLPGSUDCSA-N 542.564 3.496 50 40 KGGB CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c2ccc(C)cc2)cc1 408862629 HDPHJDSFOVCFAG-BZCOGROQSA-N 608.717 3.413 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(I)c2)c(OC)c1 408955477 OTERPTXWINPCLW-NIXKDODNSA-N 687.285 3.488 50 40 KGGB COc1ccccc1/C=N/NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 409114247 GKCNVLDLRVINLY-CVKSISIWSA-N 501.536 3.197 50 40 KGGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1 409172961 NDVJBDRHBUPSFF-RWPZCVJISA-N 504.543 3.427 50 40 KGGB COc1cc(/C=N\NC(N)=O)ccc1Oc1nc(Nc2ccc(C)cc2Br)nc(N2CCOCC2)n1 97964133 XOHVQKBTTPLNKP-ZMFRSBBQSA-N 557.409 3.326 50 40 KGGB Cc1ccc(C)c(C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 101233527 ITPAVPAATFBDRV-HGUXBUMGSA-N 541.236 3.196 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl 408643990 CMHYLZQMATYYAO-UHFFFAOYSA-N 510.772 3.388 50 40 KGGB Cc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1Cl 408678030 BGDMTPKGYLLHBL-MQYQWHSLSA-N 550.631 3.052 50 40 KGGB C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)c1cccc(I)c1 408773466 QSWBUAULVORBCO-LFVJCYFKSA-N 534.379 3.422 50 40 KGGB COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(C)(=O)=O)cc1 408863682 PZTOVKHIOYCURH-GBYSFBBLSA-N 542.589 3.157 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3)o2)c(OC)c1 408926006 WQMGPGIPNHHCFP-HHSRISMTSA-N 518.526 3.285 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC 409153989 NEOILIJRUIGWHD-WCMJOSRZSA-N 613.465 3.301 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409154984 PDGCCNNBCINNAU-XODNFHPESA-N 630.867 3.352 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1OC 409159113 YXZRVLMYXSAISE-OKCVXOCRSA-N 538.988 3.184 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C\c1cn(CC#N)c2ccccc12 1529549186 USXMEKDMMJTLAF-BCFKDBPXSA-N 530.610 3.050 50 40 KGGB COc1ccc(NC(=O)COc2c(NNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cccc2OC)cc1 408603811 HDFFJEIFTDMVIC-GOSISDBHSA-N 504.543 3.218 50 40 KGGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1 408773313 JZJZLBCDIQCPNS-KSEXSDGBSA-N 539.795 3.263 50 40 KGGB COc1cc(C(=O)Nc2ccc(Br)cc2[C@@H](NCC(=O)NN)c2ccccc2)cc(OC)c1OC 3972361 KORPOMJKQDZNDF-QHCPKHFHSA-N 543.418 3.396 50 40 KGGB CC(C)OC(=O)c1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n(C)c(=O)n(C)c1=O 28538923 WAFUMHDLTLVFNS-UHFFFAOYSA-N 501.523 3.458 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@H]2Cl)c1)Nc1cccc([N+](=O)[O-])c1 408687868 PMUATVOGSWVYJA-VTLVALNESA-N 532.336 3.360 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cc(I)c1O 408762720 MATIUVGZMODQBP-BYWZACNXSA-N 559.426 3.157 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)c1 408868609 NUYIAIKQUFGFMV-IAEWTUJKSA-N 564.664 3.015 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(C)cc3)o2)cc1 408873634 UCXZJRPQWSHARV-HNSNBQBZSA-N 601.685 3.493 50 40 KGGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCCOC(C)C)c1 409261508 DKFPXZCRVRGNMM-CCVNUDIWSA-N 502.999 3.356 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(OC)c(OCC#N)cc1Br 1529546805 HTGGEQNQTVUJSQ-FNMFPPKFSA-N 616.494 3.245 50 40 KGGB CC(C)[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 100553111 XXXGUKWKJAIYRU-DMAWMXMSSA-N 541.236 3.215 50 40 KGGB COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(CNS(=O)(=O)c3ccc(C)cc3)o2)cc1OC 408825750 BYGIFJDKIHCPSC-HKWRFOASSA-N 509.584 3.350 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408863715 OTALEQKSUPEKMT-VJLPIKFPSA-N 615.108 3.368 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCC(=O)NC(C)C)cc3)cc2)cc1 409141658 ILWAVUZLZJHAHU-OGLMXYFKSA-N 522.627 3.487 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(C)c3)cc2OC)cc1 409161358 UCOGHQVMAQHWGG-RWPZCVJISA-N 504.543 3.427 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(Br)cc2)cc1 409379312 WRCAOROVYZSKES-VXKWHMMOSA-N 583.391 3.363 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(=O)(=O)c2ccc(C)cc2)c1 408771013 DDYLAZOPDBQJEL-JVWAILMASA-N 527.599 3.375 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C\c2cc(I)cc(OC)c2OC)c(OC)c1 408947169 APRSOHVJGFOQDX-JTCJDYCESA-N 652.442 3.037 50 40 KGGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408967488 SHUCGTMZHKYROI-WYMPLXKRSA-N 505.394 3.033 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cc2nnc(N)s2)cc(Cl)c1OCCOCCOc1cccc(C)c1 408972082 RRZDHJNAILDXPB-JFLMPSFJSA-N 534.038 3.648 50 40 KGGB COCc1cc(C)nc(OCC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1C#N 409006445 JIPAGKYFYQZKKD-NUJZUDFISA-N 501.543 3.263 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)cc1 409028189 INTNZWXVWFWYMG-JVWAILMASA-N 509.584 3.277 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1cc(Cl)ccc1C 409154163 JYJYARXLLSMCKG-KBKYJPHKSA-N 598.825 3.398 50 40 KGGB O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1ccc(Br)cc1F 409172305 BYMDLFGGWNOGJL-XKJRVUDJSA-N 571.359 3.101 50 40 KGGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 1529546305 DWAKMUJBJYBZNN-STNFJLQYSA-N 619.096 3.176 50 40 KGGB COc1ccc(CC(=O)NNC(=O)[C@H](NC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)C(C)C)cc1 6190710 YMQQUEVHQUCPAZ-AREMUKBSSA-N 532.597 3.101 50 40 KGGB O=C(N[C@@H](C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 8854484 NETHTNLPNXXNTD-QMPKWXHSSA-N 504.890 3.106 50 40 KGGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)S(C)(=O)=O 20212608 BXODDKVMARVSFF-ODCIPOBUSA-N 502.774 3.056 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)S(C)(=O)=O)cc1 28213378 NFBLWFSWNLIMTC-WPWMEQJKSA-N 524.599 3.019 50 40 KGGB CC1(CC(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]23)OCCO1 112256052 WVJMRPHAIVCTJA-WNSGBWOUSA-N 566.570 3.401 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Cl)[C@@H](Cl)C[C@H]3C2=O)cc1)NNC(=O)c1ccccc1Cl 408680087 CZOLFTSZRHSNJE-XHVUQVIVSA-N 552.798 3.072 50 40 KGGB COc1ccc(OC)c(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 408721383 QHZYIODDXLUAKY-UHFFFAOYSA-N 505.593 3.353 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1OC 408883862 RYWPYQZRYLSFHK-WGOQTCKBSA-N 511.556 3.494 50 40 KGGB CCOC(=O)COc1c(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 408951491 UHNORKDPZHJQHD-VWLOTQADSA-N 710.547 3.127 50 40 KGGB C=CCc1cc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)ccc1OC 408954800 NNOVBSBOWNKGJN-FNYQFALQSA-N 536.585 3.152 50 40 KGGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(I)c1OCC(=O)O 408971324 ILOKUDNJNRWQPL-LSFURLLWSA-N 524.267 3.282 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3ccc(Br)cc3F)c2)cc1 409160292 TVIPOKHZUPACOM-IPPBACCNSA-N 557.376 3.381 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1F 409161777 ZGQMLRNPRNKKPD-IPPBACCNSA-N 536.988 3.277 50 40 KGGB COc1ccc(C(=O)NNC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc4c(c2)OCO4)N3)cc1 1326690 OJHODESNGXAKDS-HNAYVOBHSA-N 503.437 3.356 50 40 KGGB CCOC(=O)C1=NO[C@@H](Cc2c(OC)c3c(c(OC)c2[C@@H]2C(C#N)=C(N)OC4=C2C(=O)CC(C)(C)C4)OCO3)C1 100238263 GGTGZHKQWFXHLG-DJJJIMSYSA-N 553.568 3.134 50 40 KGGB COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1OC 100309550 MZKATLFKWKEZQY-MNBJERMJSA-N 532.597 3.229 50 40 KGGB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)CSc3nc4ccccc4[nH]3)C2=O)cc1 101002621 WVXZGWXHHKLDJM-WOJGMQOQSA-N 527.653 3.103 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)ccc1Br 408678653 BTGPJLSBCQZIFG-GBOPCIDUSA-N 595.082 3.161 50 40 KGGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)c(OC)c1 59960355 OWFXQFXANJVOBA-CTOFZRSPSA-N 504.543 3.049 50 40 KGGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(O)cc1 83331258 PWPBIESVIGDCEG-OYKKKHCWSA-N 502.390 3.496 50 40 KGGB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)CSc2nc3ccccc3[nH]2)C1=O 101005292 OINQRFSLVAWXSI-PDGQHHTCSA-N 527.653 3.103 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 408612695 XAEAYWCYTKMXQI-IPPBACCNSA-N 512.925 3.272 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)C(C)C)cc1 408760095 RMDXIHUBCYXESG-RGXRWQALSA-N 574.637 3.124 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 408863818 URPMHHPQNYTHMU-LQKURTRISA-N 539.610 3.209 50 40 KGGB CCOC(=O)COc1c(/C=N\NC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc(I)cc1OC 1529549172 UHNORKDPZHJQHD-AMLSOKQWSA-N 710.547 3.127 50 40 KGGB CCc1nc2ccccc2n1CC(=O)NNC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N2CCc3ccccc32)c1 97980632 CFCPQPSCBPSHLH-BUHFOSPRSA-N 589.674 3.228 50 40 KGGB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Cl)[C@@H]2Cl)cc1)Nc1cccc([N+](=O)[O-])c1 408691345 ZLMCYGYHBPCKPL-VJQWSGFBSA-N 532.336 3.360 50 40 KGGB CCOC(=O)COc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I 408778064 PUGZSNZWPJAKCX-XGICHPGQSA-N 568.149 3.269 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)c(C)c1 408877073 PJXYQTAQWMSPPF-QHFGQAMDSA-N 536.654 3.476 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)COc2ccccc2C)cc(Br)c1OCC(N)=O 408969227 JMHAHNRSKRGOMP-POGXFMHGSA-N 577.476 3.080 50 40 KGGB CC(=O)N[C@@H](CSc1nc2c(O)nc(N)nc2n1Cc1ccc(Cl)cc1)C(=O)NCCOCCOCCOCCOCCOCCCCCCCl 1777699079 PMKLWFIBYSGVNP-MHZLTWQESA-N 774.769 3.411 50 40 KGGB Cc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccccc2)c1C 59887824 HZPZFYHJKBEUGO-MTDXEUNCSA-N 551.625 3.394 50 40 KGGB Cc1c(Cl)cccc1NC(=O)COC(=O)CN1C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C1=O 408680160 DKVLVEYTLZJLGB-FNFFVJSTSA-N 550.631 3.052 50 40 KGGB O=C(COC(=O)CCCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)NNC(=O)c1ccccc1 408684885 PRZZQVXRERCPES-AGTZKDDFSA-N 565.626 3.443 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1C 408869468 SFYYRGKUXWZVIM-YNFMAFFXSA-N 529.475 3.259 50 40 KGGB C#CCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1Br 408953685 XSZIMIVECLEQDW-XMMPIXPASA-N 585.480 3.346 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(I)c1OCC(=O)Nc1cccc(Cl)c1 409160482 QEALWXPPFVOWIY-PNQUVVCRSA-N 664.840 3.466 50 40 KGGB O=C(N/N=C1\C(=O)N(CN2CCc3ccccc3[C@H]2CN2C(=O)c3ccccc3C2=O)c2ccccc21)c1cccnc1 97967390 IWGQMVVVVNQBSK-BMSZIDLJSA-N 570.609 3.415 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)ccc1OC(C)=O 409379354 WIWVCQWHRMBIAT-SAIUNTKASA-N 785.715 3.412 50 40 KGGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 20061146 UYCLGNCROLOPCV-KPXWSTSBSA-N 522.627 3.248 50 40 KGGB CCOC(=O)C1=c2s/c(=C/c3ccccc3Br)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1Br 100563144 CRNOWSXJZRWGBK-MVDPLZLPSA-N 587.293 3.426 50 40 KGGB Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)o1 408812404 SMZVHURMCAMLOZ-PPDIBHTLSA-N 516.341 3.239 50 40 KGGB O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc1)Nc1ccccc1C(F)(F)F 409150772 DQBUTFKRCIKQRU-IURWMYGYSA-N 542.470 3.218 50 40 KGGB COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1 409159352 ZMONLULZAQXKLL-RWPZCVJISA-N 504.543 3.427 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)cc1OC 409174629 VWMUXROGSHRJOM-ATZGPIRCSA-N 576.650 3.464 50 40 KGGB CN1CCN(CN2C(=O)/C(=N/NC(=O)c3cccc4ccccc34)c3cc(Br)ccc32)CC1 100910712 QVPCESKGSRCLNU-SLEBQGDGSA-N 506.404 3.288 50 40 KGGB CC(C)C[C@H](C(=O)OCC(=O)NNC(=O)c1ccccc1)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 408688919 RIAHASVJQPFTQO-BYVAMKTGSA-N 565.626 3.298 50 40 KGGB C#CCOc1c(I)cc(/C=C(/C#N)C(=O)NC(C)C)cc1I 408771552 JCEPUYHNBJTXSL-SDQBBNPISA-N 520.108 3.339 50 40 KGGB Cc1ccc(CN(Cc2ccc(/C=N\NC(=O)C(=O)NC(C)C)o2)S(=O)(=O)c2ccc(C)cc2)cc1 408873318 STSQDQPYOMAWLU-DICXZTSXSA-N 510.616 3.262 50 40 KGGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 409138412 BJRIOTQINKXDAC-WGOQTCKBSA-N 528.518 3.241 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C 409266132 JUQGGBMLHRFUNM-KBKYJPHKSA-N 531.407 3.129 50 40 KGGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)N1CCOCC1 13770331 VMLBHIBGZIISKD-XLNRJJMWSA-N 517.611 3.090 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1 20061173 HTGKWJVMBXNOPX-KKMLCIJBSA-N 508.600 3.317 50 40 KGGB COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C(\C)c3ccc(NC(=O)c4cccnc4)cc3)CC2)cc1 97965834 VOLSBXXXNHHSCS-NDZAJKAJSA-N 535.626 3.284 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c(OC)c1 103898781 QONBXLRXESQXLV-JVWAILMASA-N 543.598 3.075 50 40 KGGB CCc1cccc(CC)c1NC(=O)COC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408677433 AOXRLZICMLIAEG-IGQFXSRTSA-N 584.305 3.461 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 408872653 NMPVOSSNCLHSMR-MUFRIFMGSA-N 569.636 3.218 50 40 KGGB COc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C#N)[C@@H](c2ccc(OC)c(Br)c2)C=3C#N)cc1Br 100262249 VFTUBUPUWIGHML-XTHAEVHISA-N 600.292 3.403 50 40 KGGB CC(C)OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 408667791 RDLKJCCTQTYPAT-UHFFFAOYSA-N 503.939 3.018 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1 408855940 ADHYSUDUBNIXQT-JVWAILMASA-N 543.598 3.075 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1cc(I)c(OCC(=O)OC)c(I)c1 408954743 ZPBSXOBRWGOAFK-QHCPKHFHSA-N 792.390 3.333 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(OC)c1OC 409121013 XHCHTALQZQLPRX-JFLMPSFJSA-N 515.563 3.193 50 40 KGGB CCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)c(OC)c2)cc1 409272887 UAANLKKMAFHGNH-UXHLAJHPSA-N 518.570 3.268 50 40 KGGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3c(-c4nonc4N)nc4ccccc43)o2)c([N+](=O)[O-])c1 409334111 RVQSLQOBVLNKSK-KKMKTNMSSA-N 544.484 3.164 50 40 KGGB COC(=O)C[C@@H]1SC2=C(C(=O)Nc3cccc(C)c3)[C@@H](c3c(F)cccc3F)C(C#N)=C(N)N2C1=O 3770442 LWOASFAXMQMFQX-PKOBYXMFSA-N 510.522 3.422 50 40 KGGB O=C(N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 13527756 QHCAIPYVCWIRJK-HZHRSRAPSA-N 515.573 3.058 50 40 KGGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)S(C)(=O)=O 28213222 TVSSGUYPALZDSX-WPWMEQJKSA-N 508.600 3.183 50 40 KGGB O=C(COc1ccccc1/C=N\NC(=O)C(=O)NCc1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 97964159 JQWGGMTWQIBQJR-AAPHRLRXSA-N 542.470 3.218 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 408881825 KRQFSHSZDCTJQR-FDAWAROLSA-N 615.108 3.240 50 40 KGGB O=C(NCc1ccc(/C=N\NC(=O)C(=O)Nc2cccc(Br)c2)o1)C(=O)Nc1cccc(Cl)c1 408885168 XKIDEUMZZFYWMU-ZRGSRPPYSA-N 546.765 3.039 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)OC)c(I)c2)c(OC)c1 408948643 CZJUMRZHVBXFEK-SGKVZYEOSA-N 759.348 3.334 50 40 KGGB C#CCOc1c(Br)cc(/C=N/NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1OC 408956550 RDQNMEZBDRANII-OTGRTMQESA-N 629.464 3.198 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)NCc1ccccc1 409158954 YSLOFRAPLYICQR-OCSSWDANSA-N 502.571 3.486 50 40 KGGB C=CCOc1ccccc1/C=N/NC(=O)COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OCC 1529548673 LIBYASKREXWXLO-SJUCLPJRSA-N 508.600 3.136 50 40 KGGB O=C(CCCCCC(=O)N/N=C1/C(=O)Nc2ccc(Cl)cc21)N/N=C1\C(=O)Nc2ccc(Cl)cc21 9871743 UNQXELWSRLJCAH-UHFFFAOYSA-N 515.357 3.189 50 40 KGGB Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1C 408688711 WZCKQNLCMSLBGH-NKFXAPPTSA-N 501.171 3.119 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 408753979 OYPBSUSHHMOUPF-NHVVDLMHSA-N 574.637 3.124 50 40 KGGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc(I)c1OC(C)=O 408766321 UHEWTBBLLPHSFW-ZVBGSRNCSA-N 524.340 3.344 50 40 KGGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 409109346 BZLMNLUSELZSON-BIZUNTBRSA-N 610.664 3.334 50 40 KGGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cc(OC)c(OC)c(OC)c2)[C@H](C(=O)OC)C(=O)N1 2312306 DQPGIOZFGMUAJH-GOTSBHOMSA-N 539.610 3.384 50 40 KGGB CCCNC(=O)C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 3085365 VGGGDBVUBNDLFZ-PYOUUQIHSA-N 520.589 3.174 50 40 KGGB COCCCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 9210082 CWMMNXYOCBYLGN-XLNRJJMWSA-N 519.627 3.383 50 40 KGGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Br)c1OCC(=O)O 59333049 RKMBXSVYXYTWKT-BOPFTXTBSA-N 500.349 3.177 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 100145306 QNPFDQPGPASYAV-MBTHVWNTSA-N 572.043 3.087 50 40 KGGB O=[P@@](NCCO)(OC[C@H](Br)CBr)OC[C@@H](Br)CBr 301054494 VJTSWFWOTCORGI-TYIBKMIFSA-N 540.809 3.026 50 40 KGGB CC(C)COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1 408664744 JWMDBTAIOQYKSE-UHFFFAOYSA-N 517.966 3.266 50 40 KGGB Cc1ccc(S(=O)(=O)N[C@H](C(=O)N/N=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)C(C)C)cc1 408767068 VHXORZNUJCPIHE-RGXRWQALSA-N 574.637 3.124 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OC(C)C)c(OC)c1 1529546663 GHNFAWQZUHTEAQ-CKWAUKHYSA-N 540.642 3.367 50 40 KGGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1OC 1087484 ISEIFRXUHRPLHY-OAQYLSRUSA-N 503.515 3.143 50 40 KGGB COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 14360879 RQUOKDJLDWZSBT-NRFANRHFSA-N 525.583 3.129 50 40 KGGB O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1)c1ccccc1 408778640 JFTCIBXVJRLBAV-RZYVVUTRSA-N 632.720 3.120 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)N(c3ccccc3)S(C)(=O)=O)cc2)cc1 408920589 JPJLOQAAAFTOHR-VEMGOHLESA-N 524.599 3.018 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)[nH]c2ccccc12 408952615 WIHFNGRPRINKCP-DEOSSOPVSA-N 505.600 3.361 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 59652135 BMPJOJGJDMTWFL-ZVHZXABRSA-N 527.515 3.166 50 40 KGGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(Cl)c(S(=O)(=O)NCc4ccco4)c3)c2)cc1 102999060 HHPDOPZIURQGNL-UHFFFAOYSA-N 619.077 3.296 50 40 KGGB O=C(CCCC(=O)N/N=C/c1cc(Br)ccc1O)N/N=C\c1cc(Br)ccc1O 103311773 XLYUVSHGUNEAFY-BKNYSILLSA-N 526.185 3.394 50 40 KGGB CCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cccc(C)c2)c(OC)c1 408607967 GCQRSNNENTUPIK-LGJNPRDNSA-N 519.396 3.150 50 40 KGGB COc1c(I)cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1I 408734899 LGLILHARMJQIEC-JVOXIWMLSA-N 538.123 3.107 50 40 KGGB Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)NNC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 409376846 DICPQYTXETXMFK-UIOOFZCWSA-N 613.579 3.446 50 40 KGGB O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)O[C@@H](CCl)CNCc1ccccc1)c1ccccc1 4285722 ZUAJUCVCIVWSBY-HJOGWXRNSA-N 539.968 3.463 50 40 KGGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(Oc3ccc(Cl)cc3Cl)nc12 100929365 NGZPKOZBRUONPB-SCZPIIQISA-N 533.393 3.312 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(OC)c2OC)c(OC)c1 408953021 LGNKRVHNHGOFFH-GLYJQWOCSA-N 605.442 3.195 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 409165763 BKGBJEAJGFDVTB-YCPBAFNGSA-N 605.216 3.353 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 409269880 AOHWKTPJCURMPB-IBBHUPRXSA-N 528.487 3.498 50 40 KGGB COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2Br)c(C(=O)O)c1OC 15134409 OKHHTEBJMHZBBC-GZIVZEMBSA-N 515.158 3.489 50 40 KGGB O=C(COc1ccccc1)N/N=C/c1cc(I)c(O)c(I)c1 408528985 YRXPSGAZSOWGMU-QGMBQPNBSA-N 522.080 3.131 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)c2cc(Cl)ccc2OC)cc1OC 408786724 VICRNXPJBIZJDJ-MZJWZYIUSA-N 562.000 3.410 50 40 KGGB COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)S(=O)(=O)c1ccccc1 408863712 OTALEQKSUPEKMT-JUGGUAMHSA-N 615.108 3.368 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1cccc(I)c1 408944634 JEEBYXVHRAUIMA-OAQYLSRUSA-N 578.432 3.176 50 40 KGGB COc1ccc(OC)c(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409132468 ZYRWSRISDUWDPC-LQKURTRISA-N 573.624 3.084 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3C)NC(=O)[C@@H]2C(=O)OC)cc1 409317184 SIKBUWAUCBQEOH-FCHUYYIVSA-N 507.568 3.200 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1sccc1Br 1529546250 DQSSGXIWQIPTGS-LCLGRWFKSA-N 537.461 3.396 50 40 KGGB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1 2622346 WDGAJLQTIUMTIG-RIYZIHGNSA-N 507.568 3.019 50 40 KGGB NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)ccc1Cl 13121562 MGBGKIYAHAXCHP-UHFFFAOYSA-N 516.004 3.231 50 40 KGGB Cc1cc(/C=N/NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c(C)n1-c1ccccc1F 100121084 KXHQLGZKZKWJIJ-FUGGPRTCSA-N 623.732 3.447 50 40 KGGB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 101007545 FZUDSKZKIYEGTP-UNZYHPAISA-N 576.703 3.293 50 40 KGGB CC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)cc1 409000716 FNYYZTSKLLUODP-VUEBRRCKSA-N 591.427 3.256 50 40 KGGB CCOC(=O)C1=c2s/c(=C\c3ccccc3I)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1I 97968846 OTDQHKCCDZGGCS-ZYNFKGNASA-N 681.293 3.110 50 40 KGGB CC1(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)OCCO1 408723479 VQLUSLNHSJLPHD-HREQHQKKSA-N 507.546 3.102 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)c(OC)c1 408923747 LMSVZYWJCRPACQ-SAHICILTSA-N 734.285 3.330 50 40 KGGB CCOC(=O)COc1c(Br)cc(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1[N+](=O)[O-] 408958039 XFYPKUBVDALDGV-CRINGMEUSA-N 692.476 3.028 50 40 KGGB O=C(O[C@H](C(=O)NNC(=O)c1cccc2ccccc12)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1 409382089 KYXKKJAROQJFKA-BJKOFHAPSA-N 526.501 3.137 50 40 KGGB CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 15134472 YAUYAYXNCDSTKB-OLQVNIRXSA-N 507.996 3.379 50 40 KGGB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)ccc2C)cc1 102998690 VEZSOXGDGWWEAA-UHFFFAOYSA-N 600.719 3.444 50 40 KGGB COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 408773300 HYHQFISVAUBZKU-RDRPBHBLSA-N 554.625 3.407 50 40 KGGB COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c1 409027398 CBLYSVCFLLNWSE-CVKSISIWSA-N 515.975 3.237 50 40 KGGB COc1c(I)cc(I)cc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C)c21 409123173 FIGUDZBJPNNRAL-GFCCVEGCSA-N 534.095 3.154 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1 409259942 ICCJQUMTEAJWOT-RWPZCVJISA-N 518.998 3.138 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 409262392 IIHAVIFZCRUZQG-OKCVXOCRSA-N 518.570 3.105 50 40 KGGB COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3c(C)cccc3C)cc2OC)cc1 409268937 ZWLGYPZRCPUCRL-RWPZCVJISA-N 504.543 3.427 50 40 KGGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(I)c(O)c(I)c2)c1 409372091 OIGMVJCYGYRMCP-UFWORHAWSA-N 552.106 3.383 50 40 KGGB O=C(N/N=C/c1cc(I)c(O)c(I)c1)c1ccccc1O 9971505 HCXRBYWWKYNPTA-REZTVBANSA-N 508.053 3.071 50 40 KGGB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)cc2)c1 408676800 AGOPKVAVFDDFBZ-YKIFOBKMSA-N 547.391 3.469 50 40 KGGB CC1(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]23)OCCO1 408723480 VQLUSLNHSJLPHD-IAWPURBLSA-N 507.546 3.102 50 40 KGGB CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408785772 ZBBURKZGPPTJAU-QDTIIGTASA-N 546.367 3.329 50 40 KGGB CC(C)NC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)o1 408878065 ZGTPPCFGYAOLRN-WGARJPEWSA-N 517.007 3.299 50 40 KGGB O=C(CNS(=O)(=O)c1ccc(I)cc1)NN(c1ccccc1)c1ccccc1 408997814 ISVJJRDJTHMCCZ-UHFFFAOYSA-N 507.353 3.439 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)ccc1OCc1ccc2c(c1)OCO2 408998134 AJVQSSZRMIHVKW-CQVQTMJSSA-N 664.712 3.162 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Br)c(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1OC 409152203 DPKMBFCCSDNGMJ-VWJSQJICSA-N 631.455 3.441 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1 409272030 XTPRTGFBMYEFBK-WKULSOCRSA-N 508.962 3.441 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccccc2)cc1 3089178 VWCCZZMKHPAPJO-PCLIKHOPSA-N 512.544 3.348 50 40 KGGB CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3OC)cc2)S(C)(=O)=O)cc1 8384528 APGKUWDWKWHFTB-CJHIPLPSSA-N 568.652 3.416 50 40 KGGB Cc1ccccc1OCC(=O)N/N=C/c1cc(I)c(O)c(I)c1 98045072 YNIGKIRZBWUJLQ-UFWORHAWSA-N 536.107 3.439 50 40 KGGB COc1cc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc(OC)c1OC 408534972 NEEQBNRVYMAZOP-DZELJBCFSA-N 593.980 3.233 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccc(C)cc2)c1 408775575 ITJHVXTTXSKYDA-MFKUBSTISA-N 512.544 3.266 50 40 KGGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cc(Cl)ccc1Cl 408688217 WNUXEKYFBAVGDG-HOWZHXDLSA-N 583.060 3.253 50 40 KGGB CC1(C(=O)N/N=C/C23c4ccccc4C(c4ccccc42)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)OCCO1 408723476 VQLUSLNHSJLPHD-GXKCNWGCSA-N 507.546 3.102 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1O 408772085 AOYPTSSASCSRTQ-CVKSISIWSA-N 542.570 3.362 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2cccc(I)c2)c(OC)c1 408958185 XOVILHWFSHQRPN-ORMFSKTFSA-N 592.390 3.020 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2ccccc2OC)cc1 409027140 AQQALRUPEXIYRU-JVWAILMASA-N 543.598 3.075 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)S(C)(=O)=O)cc1Cl 409186150 XQWYICKAFOIDNV-OCSSWDANSA-N 573.071 3.003 50 40 KGGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1 409257419 SMTGNGKWPQPPNL-IPPBACCNSA-N 508.497 3.104 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1529547302 KLXMPPDWXNJTNY-YIQTUUEOSA-N 531.978 3.133 50 40 KGGB O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1cc2c(cc1Br)OCO2 1920502 XNIHXSDNPKGMHT-ZVBGSRNCSA-N 503.338 3.366 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@H]5Cl)[C@@H]4C3=O)cc2)cc1 408691198 YUAOSZRAJAMBDO-ZKXGSZBFSA-N 545.375 3.239 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408774029 NXTFWFXJXYZLAK-WPWMEQJKSA-N 510.616 3.424 50 40 KGGB O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(=O)Nc1cccc(Cl)c1 408786339 PQQTZPWDVWEGEC-KSEXSDGBSA-N 539.795 3.263 50 40 KGGB CCOc1ccc(N2C[C@H](C(=O)NNc3cccc(OC)c3OCC(=O)NCc3ccccc3)CC2=O)cc1 408603668 GTUOYJQQCZSBEG-OAQYLSRUSA-N 532.597 3.285 50 40 KGGB O=C(COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cccc2ccccc12 408684047 JHVWIEOFDHYTEH-IOXUAXACSA-N 578.257 3.490 50 40 KGGB O=C(Cc1cccc2ccccc12)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408742083 PBRMPANBYHPNSS-KTCKORJGSA-N 509.385 3.311 50 40 KGGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(/C=N\NC(=O)C(=O)NC[C@H]3CCCO3)o2)cc1 408832946 QZDHBOIBMKDRIE-SQBGJFPKSA-N 573.071 3.378 50 40 KGGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1C 408872034 JHXIELNXSVHIQL-HUEHPZEESA-N 578.691 3.323 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)c(OC)c1 408921609 AWSYIJRPFXJTMN-QLPUOYLQSA-N 537.617 3.262 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)c1C#N 409006001 GWKOWUSGSOOOQW-OPEKNORGSA-N 531.367 3.208 50 40 KGGB COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)NNC(=O)c2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)ccc1OC(C)=O 409375770 PBNNEKAGITUHHQ-GPOMZPHUSA-N 861.766 3.129 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(Cl)cc2)cc1 19828941 MZWCFZCTTOOCIH-UHFFFAOYSA-N 512.975 3.407 50 40 KGGB O=C(NC[C@@H]1CCCO1)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 101052707 BDONKWODKKTWLD-SIRPWMCASA-N 514.214 3.022 50 40 KGGB CCOc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cccc2OC)cc1 408608194 ORRQHNXXRWUBQT-LQKURTRISA-N 520.542 3.209 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@H]3Cl)c2)cc1 408676902 AMZWJBOUWNYTFO-BDACHGGBSA-N 545.375 3.239 50 40 KGGB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)cc2)cc1 408691197 YUAOSZRAJAMBDO-QYRJXPSASA-N 545.375 3.239 50 40 KGGB C#CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC 408949498 FOUGRLBQCQOSTE-BCFKDBPXSA-N 554.987 3.081 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(OC)cc1 409171092 YBCKOXQJBPCASC-WEPAEKJRSA-N 596.422 3.081 50 40 KGGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(=O)OC)cc3)[C@H](C(=O)OC)C(=O)N2)cc1 409324197 RMFCGQASAQLWIZ-VXKWHMMOSA-N 507.568 3.145 50 40 KGGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCC(=O)O 1435024 XVTUISNUYHTWDJ-QPSGOUHRSA-N 561.139 3.121 50 40 KGGB O=C(NNS(=O)(=O)c1ccccc1)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 2655473 ZOICNYKNRRIQGL-UHFFFAOYSA-N 500.385 3.418 50 40 KGGB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1 12690205 WHFPGHPTWIEBGF-LJQANCHMSA-N 514.007 3.227 50 40 KGGB O=C(O)COc1c(I)cc(/C=N/NC(=O)c2cccs2)cc1I 97960889 XWJDLRNYLLNKPU-UBKPWBPPSA-N 556.119 3.185 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(/C)c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c1 408722515 VEQGMCXHIWDAER-IMRQLAEWSA-N 525.583 3.211 50 40 KGGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccc4c(c3)OCO4)cc2)cc1Cl 409252835 FFMIBVWNQHBLLP-VFLNYLIXSA-N 522.945 3.161 50 40 KGGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1cc(C)cc(C)c1 409258510 VHFRJUSAMMSWFA-YEEYNWEUSA-N 503.397 3.448 50 40 KGGB O=C(Cc1nnc(NC(=O)c2ccccc2)s1)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 2149565 QDQUGRBRIOGKFX-PCLIKHOPSA-N 521.580 3.251 50 40 KGGB CCOc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 4132498 VTJXECHGRCXGCW-CVKSISIWSA-N 515.486 3.017 50 40 KGGB Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccc(OCc4ccccc4)c3)CC2)cc1 30750465 VUKKWNQDQWICJT-USHMODERSA-N 506.628 3.031 50 40 KGGB Cc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)c(C)cc1Br 408683241 HRXFPUIQDRFTOS-NEBZKDRISA-N 609.109 3.470 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1c(C)n(C)c2ccccc12 408948899 PYUBLEKHDOKFCP-VWLOTQADSA-N 519.627 3.372 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(Br)c2)c(OC)c1 408955232 OJCCJCWGRPEYRH-AIZXLIHESA-N 575.416 3.186 50 40 KGGB COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC 409009928 ANJGGSOFGNATSF-WGARJPEWSA-N 508.487 3.159 50 40 KGGB COC(=O)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1 409336261 RHCRVQCLUHJSLT-PMACEKPBSA-N 513.959 3.236 50 40 KGGB O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1cccc(-n2cccc2)c1 409385729 IHGQNQDLUMSQOH-QQXSKIMKSA-N 511.376 3.241 50 40 KGGB COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)c1 408841197 JOSIVBVXXROMBG-FDAWAROLSA-N 576.631 3.329 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccc(Br)cc32)c2ccc(C)cc2)cc1 408921035 BNDSQVZIICSFRX-UHFFFAOYSA-N 557.426 3.434 50 40 KGGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1)c1ccccc1 408998058 AAAQHQGANDLZEO-KZKMUKRCSA-N 569.352 3.091 50 40 KGGB O=C(CSCc1ccc(Cl)cc1)NNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 97945336 PAEUNPHLMHKYMA-UHFFFAOYSA-N 523.065 3.182 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408870206 VNPGOXVVZKVBBZ-RDRPBHBLSA-N 597.650 3.103 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(I)c1OC 408987203 FAJSGMYUPXREMW-KYEFCJKTSA-N 577.379 3.019 50 40 KGGB COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)cc1 409136853 VDLZTGDWXHEBNB-CVKSISIWSA-N 607.426 3.189 50 40 KGGB CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 20168842 WIOIWGCOFRWMAN-HJHSVFMCSA-N 516.554 3.208 50 40 KGGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1C 39986722 SGTCETZEYAYFQL-YUMHPJSZSA-N 511.600 3.362 50 40 KGGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2COc2ccc(F)cc2)cc1CSC1=NCCS1 97966734 PNHFYEPEFSJUIZ-IPBVOBEMSA-N 583.631 3.059 50 40 KGGB Cc1ccc(COc2cccc(/C=N/NC(=O)c3nnn(-c4nonc4N)c3CSC3=NCCS3)c2)cc1 101073130 XGVUUMZODVNIIX-KKMKTNMSSA-N 549.642 3.220 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(I)c1OC 408756033 XGAYZZMIRWATRY-AOOMUMSASA-N 559.426 3.070 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCC(=O)Nc1ccc(CC)cc1 409162821 IGRPDZIHMKRPMD-WCMJOSRZSA-N 546.580 3.160 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(OCC#N)c(Br)c1 1529547935 RUFHUGCTJLXWKO-MLVHTHFLSA-N 586.468 3.236 50 40 KGGB O=C(N[C@H](C(=O)N/N=C/c1cn[nH]c1-c1ccc(F)cc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1 8781158 VYSKWRJQOOVXSE-MDUPQVTGSA-N 509.501 3.074 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(=O)(=O)c2ccccc2)cc1Cl 58918516 RXWWHCYQLWUHIO-CVKSISIWSA-N 515.975 3.465 50 40 KGGB CCOC(=O)C1=NN(c2ccccc2)C(=O)[C@@H]1[C@H](Br)[C@]1(Br)C(=O)N(c2ccccc2)N=C1C(=O)OCC 245239962 NNVYLJJPCFXTMN-FXJWSJNKSA-N 634.281 3.432 50 40 KGGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/[C@H]3C(=O)NC(=O)N(c4ccc(I)cc4)C3=O)cc2)cc1 408534842 MQQAONZMJYZZBP-PXGAOIJESA-N 609.380 3.467 50 40 KGGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)cc2)c1 408691353 ZLRQFZOJKQVXLJ-QEQKNVQMSA-N 562.362 3.369 50 40 KGGB CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OCC(=O)N/N=C/c1ccc(C(F)(F)F)cc1 59222126 CHPOCZCBTSRUBL-ZLXUYPTFSA-N 534.491 3.434 50 40 KGGB C[C@H](C(=O)NNC(=O)c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408656435 MIYYYRLDSAAQBA-TVKOCUGLSA-N 534.399 3.429 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(=O)(=O)c2ccccc2)c1 408875117 FYBPOFOHSOLCDG-MTDXEUNCSA-N 524.599 3.398 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3F)c(OC)c2)cc1 409166689 FGXOCHRJACPBIH-AMVVHIIESA-N 587.402 3.389 50 40 KGGB CCCNC(=O)CSC1=C(C#N)[C@H](c2cc(Cl)c(OCC)c(Cl)c2)[C@@H](C(=O)OC)C(=O)N1 409321853 JWLYBBCNNVVABR-DLBZAZTESA-N 500.404 3.389 50 40 KGGB COc1cc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)C(=O)O)cc2)cc(OC)c1OC 409380078 HBYRUXRWXZZQNY-URLMMPGGSA-N 685.642 3.262 50 40 KGGB COc1ccc(C(=O)N/N=C/c2cc(I)cc(I)c2O)c(O)c1 409393569 YOVSHPVQFURYTM-CNHKJKLMSA-N 538.079 3.080 50 40 KGGB COc1ccc(/C=N/NC(=O)C(=NNc2cccc(Cl)c2)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 101390610 CLHAZHMUSOGRMB-CMNXJCJSSA-N 567.002 3.443 50 40 KGGB CCc1cc(Br)ccc1NC(=O)COC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408678642 FXHDXYMMRXDAKG-MVXJNQHVSA-N 621.120 3.271 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c2ccc(C)cc2)cc1OC 408874331 AETJBQITVCRGMI-LQKURTRISA-N 557.625 3.384 50 40 KGGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(Br)cc2C)cc1 409254335 XADPPRUVZLGMHX-KWJLSGNOSA-N 503.397 3.448 50 40 KGGB COc1ccc(CC(=O)NCC(=O)N/N=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 8722671 AFJHITAPHLTENV-RWPZCVJISA-N 506.515 3.000 50 40 KGGB CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)C1 8769567 YAQVERBIMMRPTL-QCBCRBAMSA-N 520.611 3.429 50 40 KGGB COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)ccc1OCC(=O)N1CCOCC1 12530014 FFGJHWOHTFTOQB-RDRPBHBLSA-N 503.555 3.129 50 40 KGGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 16186869 LSIJFVFSLWWNEW-JVWAILMASA-N 527.599 3.062 50 40 KGGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(I)c1OCc1ccccc1 59246974 GOSHASMDFLCHDO-ZVHZXABRSA-N 523.371 3.051 50 40 KGGB COc1cccc(NC(=O)CN2C(=O)[C@@]3(C(C#N)=C(N)N(N(C)C)C4=C3C(=O)CC(C)(C)C4)c3ccccc32)c1 98009042 IMYWHKMMEJZATI-SSEXGKCCSA-N 540.624 3.048 50 40 KGGB Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)o2)cc1 100145455 FEYRESNPMPWJDW-RDRPBHBLSA-N 580.688 3.408 50 40 KGGB COc1ccc(NC(=O)COc2c(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)cccc2OC)cc1 408609754 LHOIVHSUOVRZNY-MZJWZYIUSA-N 510.934 3.464 50 40 KGGB CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 409027606 NEFMURRHTVAHCY-JVWAILMASA-N 541.582 3.146 50 40 KGGB COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)cc1OC 409152976 GVFVTTQSYWBQMH-VWJSQJICSA-N 587.004 3.331 50 40 KGGB COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)c(OC)c2)c1 409161597 WGKDVKFRNNHKSQ-RWPZCVJISA-N 504.543 3.427 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc(I)c1OCC(=O)Nc1ccc(C)cc1 409169133 PZGYLHZJXDGLFT-NLOAGFHQSA-N 580.423 3.381 50 40 KGGB COCc1c(Br)c(C)nc(OCC(=O)N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)c1C#N 409196785 XUFPSJWZSPFYMF-HOEBFWFUSA-N 541.156 3.370 50 40 KGGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC(N)=O 409220047 TUDRTCDTQXJPBQ-WUXMJOGZSA-N 511.703 3.363 50 40 KGGB CCCN1C(=O)/C(=N\NC(=O)CCCCCC(=O)N/N=C2/C(=O)N(CCC)c3ccccc32)c2ccccc21 11612323 QAMUFPRQXAHUFL-YUGUBMJKSA-N 530.629 3.491 50 40 KGGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2OCC(=O)O)cc1OC 13880681 XOJRVFYACJWQEB-DJHASFLHSA-N 503.511 3.088 50 40 KGGB N#CCC(=O)N/N=C1\C(=O)N(c2cc(Cl)ccc2Cl)C(=O)C(=O)[C@H]1c1nc2ccccc2s1 104277996 ANNQCDWSZQAHJE-OSMCOOEVSA-N 500.323 3.215 50 40 KGGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(OCC(=O)Nc2cc(C)cc(C)c2)c(OCC)c1 408612257 USVNVBWSPDFUNL-RPPGKUMJSA-N 519.396 3.068 50 40 KGGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Cl)[C@@H]3Cl)c2)c1 408691375 ZOKAAYDBTCPYLB-IOXUAXACSA-N 562.362 3.369 50 40 KGGB Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 408805468 KIJISTKLVXFWOS-PPDIBHTLSA-N 516.341 3.239 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(Br)c2)c(OC)c1 408955236 OJCCJCWGRPEYRH-VVKUOSDESA-N 575.416 3.186 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc(Br)c1OC 408994049 YDWCKHQEJRRRRA-KYEFCJKTSA-N 530.379 3.177 50 40 KGGB CC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2)[C@H](OC(=O)c2ccc(Cl)cc2)C(=O)O)cc1 409374962 CEQZCKAVWXPQGX-VXKWHMMOSA-N 602.383 3.249 50 40 KGGB COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)ccc1O 3085949 SLKXWMOIVUWADL-AFUMVMLFSA-N 503.964 3.408 50 40 KGGB O=C(CC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 150470826 PDRCBIKPCDCNSS-UHFFFAOYSA-N 705.943 3.372 50 40 KGGB Cc1c(N(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C 162398004 DVXIGKYJGBCDBC-JEPNHJGPSA-N 656.721 3.118 50 40 KGGB COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1OC 408831882 VYTCVKAJEGVMEG-WGOQTCKBSA-N 527.555 3.195 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 408837504 HITCGIUOROCJMO-LQKURTRISA-N 557.625 3.384 50 40 KGGB CCOc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(I)c1OCC(=O)O 408874226 AHXLDCKVVAVPGA-LLXCYVELSA-N 635.864 3.110 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(I)c(OCC(=O)OC)c(I)c2)c(OC)c1 408947241 AXCUGQHRGDKSIY-ZMKIWGOUSA-N 806.348 3.176 50 40 KGGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1 409263721 BTEWDUVSHZWHLY-LQKURTRISA-N 520.542 3.209 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccc(O)c(Br)c1 1529545099 VMCPJGVXRZIWDH-ZPBGBCLFSA-N 547.431 3.040 50 40 KGGB COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC 19816765 KDIWNDXXLIBGGU-JVWAILMASA-N 527.599 3.375 50 40 KGGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cc(OC)ccc2OC)cc1 59443976 ZVBVNOJTUZKCDZ-OVVQPSECSA-N 511.600 3.096 50 40 KGGB Cc1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)ccc1Br 408691111 YGXWFRDAJFRTIO-RRBVXWDCSA-N 621.120 3.406 50 40 KGGB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3C[C@H](Cl)[C@@H](Cl)C[C@H]3C2=O)c1)NNC(=O)c1ccccc1Cl 408691152 YMEYUVNBOFSILV-FPAYPSAMSA-N 552.798 3.072 50 40 KGGB C#CCOc1c(Cl)cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1OC 408947639 OBOFNZKHVAAYNJ-DEOSSOPVSA-N 571.055 3.246 50 40 KGGB COc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(I)cc2)ccc1OCC#N 409002048 LUGVXGIXSWCHHX-LWKXQZBCSA-N 618.453 3.242 50 40 KGGB N#C/C(=C/c1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1)C(=O)NC(N)=O 409222052 BRDDCYGRGCUBGQ-QCDXTXTGSA-N 618.125 3.485 50 40 KGGB CCCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)nnn2-c2nonc2N)cc1 2440656 RWFNIZZNICGTAP-KKMKTNMSSA-N 500.441 3.471 50 40 KGGB Cc1cccc(/C=N/NC(=O)CN(c2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccccc2)c1 19953043 OVLMPJXUJRCWIC-MTDXEUNCSA-N 517.611 3.138 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c2ccc(C)cc2)cc1OC 408826626 HTDATBKELPYFSN-OCSSWDANSA-N 582.679 3.261 50 40 KGGB COc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)ccc1OCC(=O)O 408840314 DJBKQKGSBFLBKV-NSKAYECMSA-N 508.478 4.070 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)S(=O)(=O)c2ccccc2)cc1Cl 408872425 NCSGLDXQABATOM-JUGGUAMHSA-N 615.108 3.368 50 40 KGGB COCCNC(=O)C(=O)N/N=C\c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)o1 408879735 CTSSFHZSVMRZKY-NUJZUDFISA-N 581.478 3.499 50 40 KGGB Cc1cc(Br)ccc1NC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC1CC1 409268373 ZGQPGEQALNGDDZ-YSURURNPSA-N 507.772 3.157 50 40 KGGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCC(=O)NCCCOC)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409312811 MRIXSUKRXSIBTO-QZTJIDSGSA-N 530.430 3.016 50 40 KGGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(OCC(=O)N4CCOCC4)c(Br)c3)oc12 409379205 VLAWRIMMLXEBMT-BRJLIKDPSA-N 561.345 3.114 50 40 KGGB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1cc(Cl)c(OCC#N)c(OC)c1 1529548034 WESGXATXKFISGO-OMHXNGIESA-N 572.043 3.136 50 40 KGGB O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O 19951149 YSISDUFBKQNKEJ-ZVHZXABRSA-N 516.373 3.493 50 40 KGGB COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 19951809 DELOEYNSDASFGX-CVKSISIWSA-N 515.975 3.481 50 40 KGGB CCOC(=O)C1=NO[C@@H](Cc2c(OC)c3c(c(OC)c2[C@H]2C(C#N)=C(N)OC4=C2C(=O)CC(C)(C)C4)OCO3)C1 100238269 GGTGZHKQWFXHLG-ORAYPTAESA-N 553.568 3.134 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 408681974 FSCQKFPEHAPVGY-KDAYCLEISA-N 596.194 3.354 50 40 KGGB CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)c(C)c3)o2)cc1 408806547 FFYKDGPMNZWBMH-QLQYKETESA-N 672.764 3.493 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(O)c(OCC)c2)c(OC)c1 408947053 ACOLGXACUYZUAQ-RQDDCGEVSA-N 605.442 3.282 50 40 KGGB O=C(COc1ccc(Br)cc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1cccc(Cl)c1 409173744 RDJGXYNHDIKYJD-KBKYJPHKSA-N 533.766 3.480 50 40 KGGB O=C(Cc1nnc(NC(=O)Nc2ccc(Br)cc2)s1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 409333251 NWELDXGCNAHXMQ-ODCIPOBUSA-N 548.335 3.274 50 40 KGGB COc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 100332643 FOXJLUIRFFCSET-MZJWZYIUSA-N 586.648 3.452 50 40 KGGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(I)c(O)c(I)c1 100460460 NUPSDKOZAYEFKG-QGMBQPNBSA-N 551.078 3.202 50 40 KGGB COc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 101602770 UVGOXHAMWONWDP-QFGCNQPLSA-N 615.643 3.467 50 40 KGGB CC(C)[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 101705447 ZRODEJMJIFWPBY-DMAWMXMSSA-N 586.233 3.123 50 40 KGGB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 408683362 LHPLSYYODXAIOM-RCVOAOTCSA-N 521.589 3.464 50 40 KGGB O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 408939949 NQSKJBDOIQYYGM-ZVHZXABRSA-N 502.390 3.496 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)c(OC)c1 408949015 DQFLPEODZYFARR-OPLYUBKWSA-N 698.321 3.404 50 40 KGGB CCOC(=O)COc1c(/C=N\NC(=O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc(Br)cc1OC 408952051 JRSXTBCSLYNNTJ-OFEZVJGSSA-N 677.505 3.128 50 40 KGGB CCOC(=O)Cn1cc(C=NNC(=O)COc2ccccc2[C@@H]2NC(=S)NC(C)=C2C(=O)OCC)c2ccccc21 408953206 XADGOYNGTFYMHD-MHZLTWQESA-N 577.663 3.089 50 40 KGGB COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)c2cccc(Cl)c2)cc1 409128614 FUYHVSSKJDWEJY-AFUMVMLFSA-N 503.964 3.408 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC(=O)N1CCOCC1 409155534 JBAXMENZSQSGKL-KKMKTNMSSA-N 602.269 3.481 50 40 KGGB O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1ccc(O)cc1 8820039 PQYFYDGVHGNVGN-MOSHPQCFSA-N 513.597 3.344 50 40 KGGB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Cl)[C@@H]5Cl)[C@@H]4C3=O)c2)c1 408691376 ZOKAAYDBTCPYLB-QEQKNVQMSA-N 562.362 3.369 50 40 KGGB CCCOc1ccc(C=NNC(=O)COc2ccccc2[C@H]2NC(=S)NC(C)=C2C(=O)OCC)cc1 408951526 UMYWTNGMTBBILW-XMMPIXPASA-N 510.616 3.360 50 40 KGGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 409256659 PYVBODOGHKOLTL-OKCVXOCRSA-N 506.534 3.317 50 40 KGGB O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1 12600576 FQEQFDVHSZPCQG-NLRVBDNBSA-N 525.656 3.195 50 40 KGGB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 12950699 OCKBQKFWOALBAK-KDURUIRLSA-N 505.600 3.182 50 40 KGGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1)c1ccccc1 20061144 UYCLGNCROLOPCV-XQEGOGQZSA-N 522.627 3.248 50 40 KGGB COc1ccc(/C=N/NC(=O)C2=NO[C@H](c3c(Br)c4c(c(OC)c3OC)OCO4)[C@H]2C)c(OC)c1 100237308 UVCBPJWGSCJZPC-KPIBPIKOSA-N 550.362 3.426 50 40 KGGB C#CCOc1ccc(/C=N/NC(=O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OCC)cc2OC)cc1Br 408957438 ULFSDZKYGFLFMR-OMXDSUCJSA-N 599.438 3.190 50 40 KGGB COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 409138233 ZRORTHLAWHMUOY-FMFFXOCNSA-N 654.742 3.458 50 40 KGGB COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(I)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 409155690 MAUVEUFFDWQXOE-UUSFDFBMSA-N 648.376 3.081 50 40 KGGB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc([N+](=O)[O-])ccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)o1 409409439 OZPRGEZHDSZUPQ-WQRHYEAKSA-N 536.409 3.195 50 40 KGGB COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 1863995 YHGCSDTXAWLZNH-UFFVCSGVSA-N 505.354 3.404 50 40 KGGB COC(=O)[C@@H](/C(=N\NC(=O)c1ccncc1)C(=O)Nc1ccccc1OC)c1nc2ccc(Cl)cc2nc1O 104297282 ZDYDZLAMGKYVRL-GBTRHPKFSA-N 548.943 3.074 50 40 KGGB C[C@H](C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 408681972 FSCQKFPEHAPVGY-JDLKNYJJSA-N 596.194 3.354 50 40 KGGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408760651 CJTGBEGJTKJEFU-OEAKJJBVSA-N 514.472 3.433 50 40 KGGB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(OC)c1 408924497 ORPVXSIPZOAYSP-IVCWAIIXSA-N 521.357 3.332 50 40 KGGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(Br)c(OC(C)=O)c(OC)c2)c(OC)c1 408947024 AAWGMPVVZMUZNK-APVBSFROSA-N 633.452 3.112 50 40 KGGB COc1cc(/C=N/NC(=O)[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC 408976673 BQICYPVGFYVXON-PYGAFPFSSA-N 502.524 3.172 50 40 KGGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 409160613 UWAOKRFXYGLWLD-FJEPWZHXSA-N 538.988 3.450 50 40 KGGB O=C(COc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1cccc(Cl)c1Cl 409255989 MYQAUBIXLAFNOW-ZQUQZTTISA-N 527.792 3.410 50 40 KGGB