smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCC)cc3)c(OC)c2)cc1 4287276 CIYUYXOOTCSTBQ-BIZUNTBRSA-N 547.608 4.372 50 50 KIGA O=C(Cc1cccc2ccccc12)N/N=C/c1cc(I)cc(I)c1O 59826885 AJOHBRRUJCHQPH-SSDVNMTOSA-N 556.141 4.447 50 50 KIGA Cc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 239203500 SMEOUXPURZGXBO-MSPXFKQSSA-N 526.269 4.272 50 50 KIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2542654 BYMQVBMRUGOBHG-WKULSOCRSA-N 538.398 4.256 50 50 KIGA CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 5989254 XAIDIEKVXPFLNK-RDRPBHBLSA-N 597.675 4.041 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Cl)c3)cc2OC)cc1 25782556 GHTUMRUHNZUKEB-OKCVXOCRSA-N 523.973 4.237 50 50 KIGA CC(C)(C)c1cc(/C=N/NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc(C(C)(C)C)c1O 101216272 PYSJQEBZVWBJSU-STBIYBPSSA-N 593.588 4.206 50 50 KIGA COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc(OC)c1OC 4335715 KRQCZDYKDVVTLM-VVEOGCPPSA-N 560.390 4.119 50 50 KIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1 4283554 QEUNXWDELFHWGA-WKULSOCRSA-N 563.399 4.332 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 2542845 SLBOXNHJVAPAHU-JFLMPSFJSA-N 524.371 4.464 50 50 KIGA Cc1cc(Br)c(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(C)c3ccc([N+](=O)[O-])cc32)c1Br 105457585 AVBJDGPQNMHWPY-PLRJNAJWSA-N 568.222 4.427 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2530491 YEIMKPJEITVRDB-VFLNYLIXSA-N 514.365 4.410 50 50 KIGA COc1ccc(-c2n[nH]c3c2[C@@H](c2cc(I)cc(I)c2O)C(C#N)=C(N)O3)cc1 8437634 BBXPZOLKHGKSNN-HNNXBMFYSA-N 612.165 4.218 50 50 KIGA COc1cc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc(OC)c1OC 102285613 RGTVPYWRYPYKGG-ATZGPIRCSA-N 555.587 4.273 50 50 KIGA COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c(OC)c1OC 2353010 MUXUWZKSLUFMRC-FOKLQQMPSA-N 504.659 4.407 50 50 KIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 4372762 XJAJFGSISPPMDA-CAUYNWHBSA-N 512.316 4.494 50 50 KIGA COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)CC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1 4527765 ITQYQSWCTGIONZ-VQGAUUQYSA-N 608.607 4.133 50 50 KIGA Cc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1[N+](=O)[O-] 239203332 SDUBDWYFLKQQRT-JNYDFHNISA-N 571.266 4.180 50 50 KIGA O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1)c1ccccc1 239309516 HQEYGQSENLGIIZ-JXYJOFSCSA-N 561.226 4.009 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2OC)cc1 4283451 QQCCQKKBMOIMEM-VULFUBBASA-N 513.344 4.215 50 50 KIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 409415668 WHAUSSRFLXDDPB-VWLOTQADSA-N 525.569 4.486 50 50 KIGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)C1 13321165 BOURNCUJCFVJSN-VZCCZUBFSA-N 520.577 4.220 50 50 KIGA CC(C)(C)[Si](OC[C@H]1[C@@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3I)(c1ccccc1)c1ccccc1 257357212 MRQSOQLDUWWOGH-RCQJKQRMSA-N 532.494 4.174 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1OC 1818974 KRSGELQCJHOCLD-CVKSISIWSA-N 518.555 4.102 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)c1ccc([N+](=O)[O-])cc1 4372593 CFRXQFPRYWNCHZ-YDZHTSKRSA-N 515.263 4.183 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1OC 2337018 UTDJKOPBERZQLH-CVKSISIWSA-N 518.555 4.102 50 50 KIGA COc1cc(/C=N/NC(=O)C2=NO[C@@H](c3c(Br)c(OC)c4c(c3Br)OCO4)[C@H]2C)cc(OC)c1OC 150400417 XCQLMTDRGMMIPM-QZOJDKBMSA-N 629.258 4.188 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)c1ccccc1Cl 2543113 IAVHJGHAKOGAIX-IPPBACCNSA-N 536.997 4.469 50 50 KIGA CCOCCCNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 13959898 NXQAZFZMQQWPQK-IEBWSBKVSA-N 512.602 4.202 50 50 KIGA COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)ccc1OCc1ccccc1 19798869 BOZWPPZMBHXVLI-UXHLAJHPSA-N 507.034 4.196 50 50 KIGA O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccccc2I)cc1)c1ccccc1I 150409388 FVQCVNOZFBOGKZ-BKHCZYBLSA-N 622.204 4.424 50 50 KIGA CO[C@@H]1[C@H](Sc2ccccc2)OC[C@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@H]1OC(C)=O 257358049 RJUJHTIZJWSARV-BWPWWFANSA-N 642.840 4.466 50 50 KIGA O=C(O)COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 730128 BFRPFXIMERAGQM-UVHMKAGCSA-N 508.987 4.444 50 50 KIGA C=C[Si]1(C)O[Si](C)(C=C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O1 195811425 BTSUMWRSCQGUHW-UHFFFAOYSA-N 568.926 4.174 50 50 KIGA C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccc(Br)cc21)[C@H]1OC=CS1 252570825 XIDBVVMIKNQHIG-HVQKEJSMSA-N 599.511 4.149 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 2542972 PMZQEYTXVDGIHF-VTNSRFBWSA-N 513.525 4.477 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC(C)=O)c(OC)c3)n2-c2ccccc2)cc1 97976890 PBCBNRIJUUHRSL-MUFRIFMGSA-N 561.620 4.128 50 50 KIGA C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@H](C)C(=O)NN=C(C)c1ccc(OC)cc1OC 245240541 PZFWZCSCXPIQEL-LJQANCHMSA-N 508.648 4.423 50 50 KIGA CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)ccc1O 1474913 YXXHWOPDNSQKCM-JVWAILMASA-N 503.584 4.290 50 50 KIGA COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1Br)S(=O)(=O)c1ccccc1 2971761 GTPHUXNQXZAVLF-AFUMVMLFSA-N 536.835 4.457 50 50 KIGA C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccc(OCc2ccccc2Cl)cc1 102268962 OBZDBKDFOAHCOE-MUFRIFMGSA-N 528.960 4.286 50 50 KIGA CCc1cc(Br)ccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 239046867 FXXUMEZLXSAOQL-HPKFOSBRSA-N 577.111 4.118 50 50 KIGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 4287367 XZZSGAVUDIQBDC-PVLQNKMRSA-N 512.316 4.494 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1OC 2542756 FBCSBUSTEDWITA-VFLNYLIXSA-N 574.815 4.219 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2)cc1 4229934 ZDCLNKPICORMOE-ZCTHSVRISA-N 536.544 4.256 50 50 KIGA COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@@H]3CCl 13904362 SDJNZXKVYYJDDM-LBPRGKRZSA-N 513.934 4.150 50 50 KIGA CCOc1ccc(CCNC(=S)NNC(=O)c2cccc(OC(F)(F)C(F)F)c2)cc1OCC 20613817 HRETYQZBEHFAOF-UHFFFAOYSA-N 503.518 4.072 50 50 KIGA O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 4259891 ZUKKSSATPUPXFK-BRJLIKDPSA-N 560.202 4.258 50 50 KIGA COC(=O)COc1c(I)cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 13942849 PXOMSBOZORPGIZ-CHHVJCJISA-N 517.323 4.409 50 50 KIGA C[C@H]1C[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](C#N)C[C@@H]1C(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 216542985 JFYZEKZPDZTLCP-FZVVOMMNSA-N 524.800 4.292 50 50 KIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3nc(SCc4ccccc4Cl)nc(N)c32)cc(OC)c1OC 12418733 QWZLEIXQRRBPCW-GOSISDBHSA-N 511.991 4.248 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)cc1 4283263 PRBBXQIWDYZNAK-RWPZCVJISA-N 570.396 4.173 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])cc2OC)cc1 4327114 YGCRQYYPVVRRIV-DCMOEJRUSA-N 507.499 4.139 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 2542959 QOAJPAODJNGAHR-IPPBACCNSA-N 542.361 4.086 50 50 KIGA CCc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(Cc4ccc(F)cc4)c4ccccc43)C3=C2COC3=O)cc1 12413347 VBHIOIPGOLSHFC-SSEXGKCCSA-N 506.537 4.198 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)sc2c1CCCC2 25584038 GHIIEMJPEWLEBI-LQKURTRISA-N 519.579 4.112 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])n2-c2ccc(C)cc2)cc1 1474494 WSVPHQJDJLVANU-CVKSISIWSA-N 502.556 4.402 50 50 KIGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 2544239 LUJRSMGBXQBWRP-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA CCOc1ccc(Br)cc1/C=N/NC(=O)CCC(=O)N/N=C/c1cc(Br)ccc1OCC 4527772 GKGDTAMYPSVIIY-BKHCZYBLSA-N 568.266 4.390 50 50 KIGA COc1cc(C=NNC(=O)CCCCCCCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 254341142 ITPIYIOQMVPDKO-UHFFFAOYSA-N 572.659 4.069 50 50 KIGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)c(O)c1 19800149 KNWKGRYBFXPKER-JVWAILMASA-N 503.584 4.290 50 50 KIGA COc1cccc(C(=O)Oc2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c2)c1 239030873 CMNKQEALFWYTSZ-CPPNMTBBSA-N 549.215 4.197 50 50 KIGA aggregator COc1cc(C=NNC(=O)COc2ccc(-n3cnnn3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 252679383 LPBGKWIUSNQKDI-UHFFFAOYSA-N 527.368 4.086 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2OC)cc1 2532100 UPRUTDMFEVXUER-VFLNYLIXSA-N 530.364 4.110 50 50 KIGA CCO[C@@H]1O[C@H](CI)[C@H]2O[C@@H](c3ccc(OC)cc3)OC[C@@]12OCOCC[Si](C)(C)C 169834604 RXIBICZNLVZWGO-BDHVOXNPSA-N 566.505 4.373 50 50 KIGA CO[C@@H]1[C@H](Sc2ccccc2)OC[C@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@@H]1OC(C)=O 257358050 RJUJHTIZJWSARV-JBFUISMNSA-N 642.840 4.466 50 50 KIGA CCn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccc(OC)cc1 2704968 AEVPZJFRDNXZLF-AUEPDCJTSA-N 569.279 4.447 50 50 KIGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(Cn2nc(C)c([N+](=O)[O-])c2C)c1 2081452 PLVLCGQGCVUGFQ-HSZRJFAPSA-N 529.553 4.247 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 2531577 FCXWPWVHXALRFU-LGJNPRDNSA-N 558.341 4.123 50 50 KIGA CCOC(=O)c1c(NC(=S)NNC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)sc(C)c1-c1ccccc1 2855921 JTZSEGZPYYCCFH-CQSZACIVSA-N 527.624 4.414 50 50 KIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 4261225 VEWUJODRIPCBPJ-UVHMKAGCSA-N 561.763 4.044 50 50 KIGA COc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 59826768 XOFISRJNVKAXTR-MUXKCCDJSA-N 528.945 4.123 50 50 KIGA O=C(Nc1ccccc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 239309568 HSDSDSHAIYTICT-KSCVBYKOSA-N 518.205 4.221 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(OCC)cc3)cc2OCC)cc1 4355163 WTVVWKZGULANTM-BIZUNTBRSA-N 547.608 4.372 50 50 KIGA CCCN(CC)CCOC(=O)[C@](O)(c1ccccc1)[C@@]1(Br)C=CC=C[C@H]1Br 252666796 CHKAKXCJZYVJBB-HMXCVIKNSA-N 501.259 4.173 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)cc2OC)cc1 4283411 NLOCUMJUJOLMEK-OKCVXOCRSA-N 523.973 4.237 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1OC 4330776 KGCQWQGHPJCTLU-VFLNYLIXSA-N 666.266 4.170 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1OC 100559067 MYBXEJCDJBSGPC-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA O=C(OC1CCCCC1)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 239274949 AZGJSUXQFRMYBY-VWQYPGANSA-N 525.237 4.458 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 2544044 YXBBHMSCIFIBJT-XODNFHPESA-N 544.789 4.210 50 50 KIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2CC(C)(C)CC3=O)s1 12401669 AZMADIRUPOTRGZ-RUZDIDTESA-N 506.657 4.110 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(OC)cc2)cc1 4347413 HNIQIDWTHDNADP-KCSSXMTESA-N 525.561 4.346 50 50 KIGA CCc1cc(Br)ccc1NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 239046872 FXXUMEZLXSAOQL-PWTXATHPSA-N 577.111 4.118 50 50 KIGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)C1 13321163 BOURNCUJCFVJSN-XLLDZARQSA-N 520.577 4.220 50 50 KIGA CC(=O)Nc1cccc(/C(C)=N/NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c1 20293890 HQWUWJWUBIYGRC-XHLNEMQHSA-N 512.676 4.128 50 50 KIGA Cc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c(C)c1 239038698 DRMRVZKNJFFMTQ-VYWDLEIRSA-N 540.296 4.435 50 50 KIGA 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](Cc1c[nH]c2ccccc12)C(=O)O 253486916 BASSDWFKLNVCFK-QCSUWEJASA-N 683.799 4.342 50 50 KIGA CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1 14165653 OJJDRUGWWQRGBA-LGUFXXKBSA-N 510.572 4.038 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 102293845 BNPQQIITFDVUIJ-OGLMXYFKSA-N 529.578 4.302 50 50 KIGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 4282950 UMXBNMDPIRGNBI-MZJWZYIUSA-N 504.344 4.272 50 50 KIGA COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4cccc(C)c4)c3N2)cc1 2794832 YVZRRKPNMCZARV-MOPGFXCFSA-N 504.538 4.492 50 50 KIGA Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 2520721 VXOMZKQFIMCEQK-CCVNUDIWSA-N 559.384 4.005 50 50 KIGA COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4cccc(C)c4)c3N2)cc1 2795267 YVZRRKPNMCZARV-RBUKOAKNSA-N 504.538 4.492 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2OCC)cc1 4347127 RUYYXPZSIZNOSK-RDRPBHBLSA-N 519.554 4.191 50 50 KIGA CCOC(=O)c1ccc(N2[C@H](c3ccc(Cl)cc3)[C@@H]3C(=O)OC(=O)[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 227195009 QLWOWCRPVGTMTE-DNVJHFABSA-N 529.932 4.212 50 50 KIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 4261216 TYIYAZACYBFNAM-DHRITJCHSA-N 512.316 4.414 50 50 KIGA Cc1cccc(NC(=O)/C(C#N)=C\c2cc(I)cc(I)c2O)c1 100145902 ZHWVBTNIWFUNDI-SDQBBNPISA-N 530.103 4.456 50 50 KIGA Cc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)n1-c1ccc2c(c1)OCCO2 2325852659 NYHANFCBQXBZAS-JVWAILMASA-N 536.635 4.492 50 50 KIGA Cn1c2ccccc2c2cc([C@H]3C(C#N)=C(N)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CCC4)ccc21 2761936 FBOWPTZEPNEFAJ-MHZLTWQESA-N 523.618 4.284 50 50 KIGA COc1c(I)cc(I)cc1/C=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 150351447 VNIJOUDLYOQUIX-MUXKCCDJSA-N 653.258 4.303 50 50 KIGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)cc1OCC 2507424 MJJMAYXUOCWQMZ-HHHXNRCGSA-N 531.609 4.432 50 50 KIGA CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](Cl)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 77302673 UEIVKNTXZOYDEL-NRUNVSGISA-N 524.953 4.273 50 50 KIGA in-vitro 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)NCCc1ccc(O)cc1 253487095 DUNUCUVGOJIKIR-MBKKOWAESA-N 616.752 4.113 50 50 KIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1OC 4302869 DULCBFTYPXCPKP-OCSSWDANSA-N 511.534 4.473 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1cccc(Br)c1 2543323 WYIYCAMGUFCZKK-VULFUBBASA-N 510.344 4.074 50 50 KIGA CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)c1O 1474614 FBTZKJPQVALLRM-LQKURTRISA-N 533.610 4.298 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2OC)cc1 2519907 IORRTAGYMKLPOE-NDZAJKAJSA-N 559.600 4.488 50 50 KIGA CC(C)(C)[Si](OC[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@H]13)[C@H]2I)(c1ccccc1)c1ccccc1 257357211 MRQSOQLDUWWOGH-NENAYYCWSA-N 532.494 4.174 50 50 KIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2542691 ZJWFSMQRIKVNPJ-WKULSOCRSA-N 538.398 4.256 50 50 KIGA CCOCCCNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 13959899 NXQAZFZMQQWPQK-PKOBYXMFSA-N 512.602 4.202 50 50 KIGA CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc1 59595624 PWEXLINQMRYWMW-CAPFRKAQSA-N 522.590 4.090 50 50 KIGA CC(C)(C)c1cc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCc3ccccc32)cc(C(C)(C)C)c1O 102278170 DCYFMQIXGDPKNC-ZMGVVAQMSA-N 571.686 4.250 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OC(=O)c1cccc(Br)c1 2521235 NUDOFYSCHRWZPB-VULFUBBASA-N 510.344 4.074 50 50 KIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1cccc(C)c1 2531648 KKTWYXKWIRGYLH-VULFUBBASA-N 510.344 4.074 50 50 KIGA COc1cccc(N2[C@H](c3ccc(Br)cc3)[C@@H]3C(=O)OC(=O)[C@@H]3C23C(=O)c2ccccc2C3=O)c1 226850778 OJHGUFXIZQAOOR-YPAWHYETSA-N 532.346 4.153 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)C(=O)Nc1ccc(Br)cc1 2506446 USEVLTNBKNMHLZ-DHRITJCHSA-N 592.187 4.362 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3I)cc2OC)cc1 4230195 IABTYYDIOHTQKY-AFUMVMLFSA-N 530.318 4.292 50 50 KIGA Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 2520720 ALADYTMIFVPERK-XKJRVUDJSA-N 594.375 4.457 50 50 KIGA CCOC(=O)c1c(NC(=S)NNC(=O)Cn2nc(C)c(Br)c2C)sc(C)c1-c1ccccc1 2856922 UJZPDKVEAZJFDZ-UHFFFAOYSA-N 550.504 4.494 50 50 KIGA CCN(CC)CCCNC(=S)NNC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 20613910 RCUOEUNHRGDGAJ-UHFFFAOYSA-N 517.877 4.115 50 50 KIGA CC(C)(/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1 207730864 LCFFREMLXLZNHE-GBOLQPHISA-N 665.774 4.415 50 50 KIGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1OC 100372205 OERVYHAOTRSQOV-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 2544231 HBNXLAQFTSJWCV-JFLMPSFJSA-N 540.370 4.164 50 50 KIGA Cc1ccc(S(=O)(=O)NCCCC[C@H](NC(=O)OCc2ccccc2)C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 71788245 AITUCSPPSVJLOY-VWLOTQADSA-N 555.609 4.252 50 50 KIGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccc(Br)c4)ccc32)cc1 1857800775 NTRHSCYSFLXZKS-QFIPXVFZSA-N 541.379 4.222 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2520382 HOBRZOQURKDRBJ-XODNFHPESA-N 500.338 4.101 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 4287026 DLZUUYQILKJZLD-DCMOEJRUSA-N 507.499 4.139 50 50 KIGA C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccc(Br)cc21)[C@H]1OC=CS1 245247788 XIDBVVMIKNQHIG-SZAKCFJLSA-N 599.511 4.149 50 50 KIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@@H]2c1ccc(Br)s1 2385000 LLBNLMLYADLRNA-LJQANCHMSA-N 533.473 4.099 50 50 KIGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1 2521115 COWFOJQGRWAWIH-VULFUBBASA-N 513.344 4.215 50 50 KIGA O=C(CNC(=O)c1ccccc1I)N/N=C/c1c2ccccc2cc2ccccc12 2544123 YNWIMWLUQUTPKN-MZJWZYIUSA-N 507.331 4.478 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)sc2c1CCCC2 4260734 WBIGKBSFYYXVEQ-MUFRIFMGSA-N 549.605 4.120 50 50 KIGA CC1=CC(=O)/C(=C(/C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C(=O)O1 253504011 KSBWHZNIKJEVNH-PYJFBHADSA-N 556.744 4.318 50 50 KIGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 4372733 LUIJPSFMGSZKGT-ZVHZXABRSA-N 500.292 4.040 50 50 KIGA CCOc1cc(C(=O)NNC(=S)Nc2sc(C)c(CC)c2C(=O)OC)cc(OCC)c1OCC 16345511 XHPUGQBOUPNORC-UHFFFAOYSA-N 509.650 4.233 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2OC)cc1 43761076 YZMJDWWFXKSBJG-RDRPBHBLSA-N 519.554 4.191 50 50 KIGA CC1=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 1077627 UCBSZSUYCMEIOY-UHFFFAOYSA-N 532.470 4.423 50 50 KIGA Cc1ccc(COc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3I)cc2)cc1 2542991 IORDOAIJGWPPFS-MZJWZYIUSA-N 527.362 4.059 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC)cc1 4287007 MYLKEHUHMZYHEW-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)N/N=C\c1ccccc1 32620502 QJESMPQPTSZXAP-LKSMXUKOSA-N 500.559 4.107 50 50 KIGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1OC 59706478 ZQVGXEYCLWYNQV-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2-c2ccccc2)cc(OC)c1OC 1474803 MRLOOPQHJKCMDW-JVWAILMASA-N 503.584 4.203 50 50 KIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1 2531635 PIAKDQSVSRMVSD-DHRITJCHSA-N 512.316 4.414 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)sc2c1CC[C@@H](C)C2 4259359 MJJIDDSFGULGMJ-PJAVDKHJSA-N 539.635 4.419 50 50 KIGA COCCOCCOCCN(c1ccc(/C=C/C2=C(C#N)C(=C(C#N)C#N)OC2(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 97972495 CDPMXQUCTGVMFA-UXBLZVDNSA-N 678.680 4.321 50 50 KIGA in-vitro COc1ccc(OC)c(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2cc(OC)ccc2OC)c1 17024761 AGJRFWXMPCBANT-CZYCKNNWSA-N 526.634 4.442 50 50 KIGA CCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2ccc(OCC)c(OC)c2)cc1OC 4527655 BMUUEMBLKHXSOH-CZYCKNNWSA-N 526.634 4.442 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1 2542864 WSVIHQLJKUNFHZ-WKULSOCRSA-N 538.398 4.256 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 8916757 INVWCRXUGHTJMX-YZSQISJMSA-N 502.556 4.484 50 50 KIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2542530 CUFIABVOMINGEQ-CCVNUDIWSA-N 508.372 4.165 50 50 KIGA NS(=O)(=O)c1ccc(NC(=S)NNC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 2855109 OYWMCYGEUNGBSX-UHFFFAOYSA-N 546.461 4.487 50 50 KIGA O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1)c1ccccc1 239275183 BHBVVDMCPHLSST-JXYJOFSCSA-N 561.226 4.009 50 50 KIGA O=C(Nc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1)c1ccccc1 239128757 KSYNWHYWPCXEMN-KSCVBYKOSA-N 518.205 4.221 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(OC)cc(OC)cc3OC)n2-c2ccc(OC)cc2)cc1 102292333 WFADRWDTMKLUTP-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1ccc(I)cc1)C(F)(F)F 1194741 DDMWMIAFFKXQMM-JLPGSUDCSA-N 514.245 4.187 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Br)c3)cc2OCC)cc1 4355529 YQCMJQIIJJBEML-OKCVXOCRSA-N 568.424 4.346 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1OC 4360079 ZMTCRZWJENAAIS-VVEOGCPPSA-N 560.390 4.119 50 50 KIGA CO[C@H]1O[C@H](CI)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 101136993 PZIHVRKLNUFQQX-GJNSLUDJSA-N 616.404 4.470 50 50 KIGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)c1 2520199 FGWVGFPJFOCWGH-XODNFHPESA-N 502.914 4.096 50 50 KIGA CCCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 252427799 GOSGOQGKGXYLID-OBRKIGFESA-N 513.226 4.316 50 50 KIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)c1ccccc1 4302912 BXNPAOLWAYAAII-UZWMFBFFSA-N 556.619 4.456 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccccc1Cl 2518582 KPUIGLDVQXRAGL-DHRITJCHSA-N 500.736 4.411 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3I)cc2)cc1 4282576 ZWPXRUWNMCGOFC-ZVHZXABRSA-N 500.292 4.283 50 50 KIGA Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc(I)cc2)C(Cl)Cl)cc1 100727716 RWVISMGKQNXELQ-HNNXBMFYSA-N 508.212 4.446 50 50 KIGA CO[C@H]1O[C@@H](CI)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 4721314 PZIHVRKLNUFQQX-BLFCVCRWSA-N 616.404 4.470 50 50 KIGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)C2CCN(Cc3ccc(F)cc3Cl)CC2)s1 16346901 AYOZQVWWNFFFBL-UHFFFAOYSA-N 513.060 4.119 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Br)c3)cc2OC)cc1 4330604 ZGELNSVQKOXYQE-OKCVXOCRSA-N 568.424 4.346 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2543178 NEHKCMKUYRSSOJ-CVKSISIWSA-N 510.344 4.156 50 50 KIGA O=C1Nc2c(Br)cc(Br)cc2/C1=N/NC(=O)c1ccccc1Br 15015345 ZXDZHCDAAYFQQW-UHFFFAOYSA-N 501.960 4.060 50 50 KIGA CCc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)N(Cc4ccc(F)cc4)c4ccccc43)C3=C2COC3=O)cc1 12413349 VBHIOIPGOLSHFC-PMERELPUSA-N 506.537 4.198 50 50 KIGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)c1 2532129 QRFYRLDHGIFBLQ-WKULSOCRSA-N 516.399 4.490 50 50 KIGA O=C(OC[C@H]1O[C@@H](N=C=S)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 25782945 AWVSFHIUQVIIOW-MOUTVQLLSA-N 503.532 4.122 50 50 KIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 4261007 CRCLJULCZABLRH-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2O[C@@]3(CO)O[C@@H]([C@@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O3 257357756 PRYNFDJQFAFJFT-PBKXMCJXSA-N 514.691 4.390 50 50 KIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Br)c1 691384 CAVMQCXAZRUDIX-CYFREDJKSA-N 505.416 4.190 50 50 KIGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)sc2c1CCCC2 2529727 XGBQEPVFWFAKIO-CCVNUDIWSA-N 506.971 4.460 50 50 KIGA O=C(OCc1ccccc1)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 239254580 YKSWNJUEZZTZGM-CPPNMTBBSA-N 533.216 4.326 50 50 KIGA COc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1Br 995771 XTUIDJMKEOUFCO-OXJNMPFZSA-N 510.392 4.118 50 50 KIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1 4347114 NASRPJJXJPDVSF-OKCVXOCRSA-N 523.973 4.237 50 50 KIGA COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)ccc1O 100614099 JPOSQSJCVYAWRU-STBIYBPSSA-N 563.636 4.307 50 50 KIGA CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C(\C)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 102277437 SXDFUYJFYVSVMG-WKULSOCRSA-N 572.457 4.114 50 50 KIGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2543164 XZZSGAVUDIQBDC-CAUYNWHBSA-N 512.316 4.494 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1OC 2531452 QPPZXPLBETVGRN-VFLNYLIXSA-N 574.815 4.219 50 50 KIGA CCOC(=O)N/N=C(/C)[C@@]1(O)[C@H](OC(C)=O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499238 DHSSQAPJYULMBQ-HHDBUSMNSA-N 518.651 4.276 50 50 KIGA biogenic COc1ccc(NS(=O)(=O)c2ccc(N3C(N)=C(C#N)C(C(F)(F)F)(C(F)(F)F)C4=C3CCC4)cc2)nn1 1076302 QWDMRUKXAXFGML-UHFFFAOYSA-N 560.480 4.349 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)c1ccccc1Cl 2542989 UZSNYXTYZVMNRE-MZJWZYIUSA-N 535.969 4.175 50 50 KIGA COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4ccc(C)cc4)c3N2)cc1 2794679 YYTAKJNGLKTUCL-MOPGFXCFSA-N 504.538 4.492 50 50 KIGA CCCSc1nc(C)cc(OC/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc([N+](=O)[O-])c2)n1 4583320 FXARXRZFHNCLGL-LHLOQNFPSA-N 510.532 4.317 50 50 KIGA O=C(N/N=C/c1ccc(Br)cc1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1086745 DHKZJPZSKRDOOB-ZVBGSRNCSA-N 507.142 4.129 50 50 KIGA COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4ccc(C)cc4)c3N2)cc1 2794682 YYTAKJNGLKTUCL-RBUKOAKNSA-N 504.538 4.492 50 50 KIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)c1 4335690 JKRMFCPQXQDXAG-ZCTHSVRISA-N 526.593 4.366 50 50 KIGA COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(OC)cc1 639112 FSSOXJQPPIWJJF-WOJBJXKFSA-N 553.946 4.477 50 50 KIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 2543878 PIZXOCNXQMYZSF-RWPZCVJISA-N 509.946 4.364 50 50 KIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 4209676 FNFOEPKLLKCUOR-LQKURTRISA-N 507.579 4.455 50 50 KIGA COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)sc2c1CCCC2 20220650 MKFLLUUKTDNNPR-UHFFFAOYSA-N 502.058 4.457 50 50 KIGA CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)NN=C2C(=O)N(C)c3ccc(Br)cc32)cc1 245328155 SLFDMIHFXPJUDJ-HMXXUXKZSA-N 580.870 4.436 50 50 KIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 4354392 SSNFWPUGIDROBR-QXUDOOCXSA-N 565.582 4.404 50 50 KIGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 8830126 WWWUXGZYUAYRJW-STBIYBPSSA-N 508.607 4.431 50 50 KIGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)OC2)[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 12375504 CCENYZUAJOXWJK-NDEPHWFRSA-N 512.928 4.289 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1 102294818 IKHUXQSUALQLRM-ZCTHSVRISA-N 542.592 4.066 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(OCC)cc3)cc2)cc1 4295834 WAXCZPVNUTYNMU-ZCTHSVRISA-N 517.582 4.364 50 50 KIGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)OC2)[C@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 12377314 VGDHEBAJSJZZTB-MUUNZHRXSA-N 512.928 4.289 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(F)cc2)cc1OC 2531596 UDLCMKSVDUGKPR-UVHMKAGCSA-N 531.334 4.354 50 50 KIGA CCOCCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 13959897 NXQAZFZMQQWPQK-HKUYNNGSSA-N 512.602 4.202 50 50 KIGA COc1cc([C@H]2C(C#N)=C(N)Oc3nc(SCc4ccccc4Cl)nc(N)c32)cc(OC)c1OC 12418730 QWZLEIXQRRBPCW-SFHVURJKSA-N 511.991 4.248 50 50 KIGA CCOC(=O)c1ccc(N2[C@H](c3ccc(Cl)cc3)[C@H]3C(=O)OC(=O)[C@H]3C23C(=O)c2ccccc2C3=O)cc1 229845669 QLWOWCRPVGTMTE-RJGXRXQPSA-N 529.932 4.212 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 2597731 UNGHUFVLSBYXNO-VULFUBBASA-N 505.943 4.167 50 50 KIGA COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1 1246771 HLLOJOAIIYSCQU-JVWAILMASA-N 503.584 4.203 50 50 KIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 4347179 XGEMJTCRAIOXIF-MUFRIFMGSA-N 538.398 4.337 50 50 KIGA O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(O)ccc1[N+](=O)[O-] 100041901 MMIAATIZRPKPPQ-KPSZGOFPSA-N 551.973 4.117 50 50 KIGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 2544145 UWFRXSKCZWXCOH-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)sc2c1CC[C@H](C)C2 4261128 OQLCTSQAMJKUAY-RWUXAASISA-N 593.658 4.375 50 50 KIGA COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1Cn1cnc([N+](=O)[O-])n1 101130251 PJDUMRGZEYXRAD-XODNFHPESA-N 578.383 4.022 50 50 KIGA COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(C)cc1 220953323 WUJCTKCCYSALQZ-VQTJNVASSA-N 504.395 4.412 50 50 KIGA CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(I)c1OCC(=O)O 9263416 ZYFKHDOKDDVKQL-AUWJEWJLSA-N 503.296 4.402 50 50 KIGA Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c2)cc1 239174123 PHTUQDYKGDCERD-BQAIHONLSA-N 575.253 4.317 50 50 KIGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(OC)cc1 639118 FSSOXJQPPIWJJF-UXHICEINSA-N 553.946 4.477 50 50 KIGA Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)cc(C)c1Cl 1750129 PNEAGPNHEGTERD-UHFFFAOYSA-N 520.605 4.087 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4259669 IUIPTWBGRPVKAH-FDAWAROLSA-N 530.556 4.196 50 50 KIGA COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 150361777 BVCUPTBAAAJJEE-NPQJPQBTSA-N 697.826 4.431 50 50 KIGA biogenic CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O[C@H]1n1cnc2c(=O)[nH]c(N)nc21 170018797 ZASBWDKOEOJQMT-WVSUBDOOSA-N 537.810 4.447 50 50 KIGA COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 239439033 ZIXMUUAZIKUGQS-UVWFNGAUSA-N 576.285 4.023 50 50 KIGA COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1 245228006 XBSAIPNQBAEJDN-KUCKGSCASA-N 531.657 4.161 50 50 KIGA O=C(OCc1ccccc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 239125194 KBRXGPJHMJHCOO-MUJBESKKSA-N 533.216 4.326 50 50 KIGA O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 4335748 HCLGXZJQHDITLP-UVHMKAGCSA-N 606.214 4.153 50 50 KIGA CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccccc1F 1143093 RJUUNKKLTGHCGX-UXHICEINSA-N 521.492 4.344 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2OC)cc1 2518696 KWCRPZCOCATJHC-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 2543837 HWXFZBJYMUILBA-IPPBACCNSA-N 514.365 4.491 50 50 KIGA COc1ccc(/C=N/NC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1Cn1cnc([N+](=O)[O-])n1 101130274 BSHJMKDIMGZQSI-XKJRVUDJSA-N 538.923 4.379 50 50 KIGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)sc2c1CCCC2 2542440 GDELCRNJFHOFDU-CCVNUDIWSA-N 506.971 4.460 50 50 KIGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)cc1 4326912 QRPSOCOVPUMSAT-AKBIMGJMSA-N 507.499 4.139 50 50 KIGA O=[n+]1c(CBr)c(CBr)n(O)c2c1[C@@H](Br)CC[C@@H]2Br 136851157 RJKMNTSZFSMIAA-WDSKDSINSA-N 510.826 4.096 50 50 KIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 4258727 UWWUKMSARIOOLJ-LGJNPRDNSA-N 564.845 4.059 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Cl)c3)cc2OCC)cc1 25782610 UQGNFEAYWCCXLX-OKCVXOCRSA-N 523.973 4.237 50 50 KIGA COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(C)(=O)=O)cc1 59832378 IAGBYRJEHSXGCA-RSXURMKNSA-N 536.576 4.426 50 50 KIGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2544450 FMTIZBUSVORHJU-UVHMKAGCSA-N 559.214 4.311 50 50 KIGA C=CCn1c(CNc2ccc(I)cc2)nnc1SCC(=O)NN=C(C)c1ccccc1 245239863 MTNUAENHSWLKGT-UHFFFAOYSA-N 546.438 4.313 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=O)Nc1ccc(Cl)cc1 4230061 HOOITFHHELKPKT-DHRITJCHSA-N 500.736 4.411 50 50 KIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 102266906 VFWRILXAFMMJHR-JVWAILMASA-N 527.419 4.165 50 50 KIGA COc1cc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc(Br)c1OCc1ccccc1C 102268955 TXQOQZSKRUOQGX-AMVVHIIESA-N 603.437 4.322 50 50 KIGA COc1ccc(C=NNC(=O)CN2CCCC[C@@H]2c2cccnc2)cc1COc1ccc(NC(C)=O)cc1 252679729 QJSJATAOSJNRAV-HHHXNRCGSA-N 515.614 4.305 50 50 KIGA biogenic COc1ccc(N=C2C=CC(C(=O)N/N=C/c3ccccc3OC(F)F)=CC2=[S@](=O)(O)C(F)F)cc1 334158974 NXXVTJZRCAIRSB-HITLOAHBSA-N 525.480 4.168 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)n2-c2ccccc2)cc1 1251637 ONDVAQIPFNMNBG-LQKURTRISA-N 533.610 4.211 50 50 KIGA COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)S(C)(=O)=O)cc1 59832382 IAGBYRJEHSXGCA-RDYICOSNSA-N 536.576 4.426 50 50 KIGA O=C(Cc1ccccc1)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 245229549 AOTISEAPCODZOJ-YBZCJVABSA-N 533.216 4.117 50 50 KIGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)c1 2544283 RNNUYLOFZYPULY-VULFUBBASA-N 510.344 4.074 50 50 KIGA COc1cc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 20228546 DHBCHOTYRFNYBW-ZGESFQQDSA-N 504.539 4.194 50 50 KIGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2544085 DHSAWCHGSKNXLQ-VULFUBBASA-N 510.344 4.074 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)cc2OCC)cc1 4283453 UUGJAASQVWKGPW-RDRPBHBLSA-N 519.554 4.191 50 50 KIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccccc1Cl 2531336 IHIIQIWNIROVKY-DHRITJCHSA-N 500.736 4.411 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(OC)c3OC)n2-c2ccccc2)cc1OC 1254532 HGPMGLGUZVKPJU-LQKURTRISA-N 533.610 4.211 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2 4260202 MFCVUTCLRJFEIB-YEVVNVGGSA-N 563.632 4.366 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)sc2c1CC[C@H](C)C2 2520178 UDBMGFJSIWLUPC-VBICMNQQSA-N 533.606 4.358 50 50 KIGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1145769 BIXLFAJOOIKGRG-IBGZPJMESA-N 559.320 4.037 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccc(C)cc1 2506457 PWPVVXIUQHTVJV-VULFUBBASA-N 510.344 4.074 50 50 KIGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2532136 QQGSFFNGRKJTLI-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1 2532283 XHRZHXWGJODYOY-DHRITJCHSA-N 512.316 4.414 50 50 KIGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)cc(Br)c1OC(=O)N1CCOCC1 718428 BRXTWJIAWTYNRS-OAQYLSRUSA-N 596.438 4.296 50 50 KIGA O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)c1ccccc1 239212550 SXFHBOXRMAKKMA-BZDUYGCESA-N 561.226 4.009 50 50 KIGA CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3O)nnc2-c2ccccc2)cc1 1474450 YHUHQXITOQJAHB-JVWAILMASA-N 503.584 4.290 50 50 KIGA C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2)C1 253390535 SNPIJBMUFQYUAE-QDBVBBLESA-N 559.692 4.162 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520299 MTHBXHMRTZBTAG-FDAWAROLSA-N 524.508 4.386 50 50 KIGA O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1)c1cccs1 239235263 VQZRLGNMYZHDBJ-HZMAYWFUSA-N 525.218 4.250 50 50 KIGA CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccc(S(N)(=O)=O)cc3)=C(C)N2)cc1 59602887 AOQURLVCSWVGKW-AREMUKBSSA-N 577.688 4.196 50 50 KIGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 4230269 BGYHYMCBGZADGS-DPNNOFEESA-N 571.634 4.234 50 50 KIGA O=C(N/N=C/c1c(Br)cc(Br)c(O)c1Br)c1ccccc1[N+](=O)[O-] 2951239 OYDFJVNCPKVFTG-NGYBGAFCSA-N 521.947 4.352 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1 4327233 ZZWABKWCEOXDSM-STBIYBPSSA-N 522.554 4.493 50 50 KIGA COc1ccc(/C=N\NC(=O)c2ccc(S(=O)(=O)c3ccc(C(=O)N/N=C\c4ccc(OC)cc4)cc3)cc2)cc1 59829311 DKZRBWFMUBRDOQ-CDSIFPFTSA-N 570.627 4.064 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)cc2OC)cc1 4354440 WUFWVJDDAZJDDD-RDRPBHBLSA-N 503.555 4.354 50 50 KIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1OC 2544514 RGXOEYPEHSLFEP-OCSSWDANSA-N 511.534 4.473 50 50 KIGA O=C(Nc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1)c1ccccc1 239128758 KSYNWHYWPCXEMN-VWQYPGANSA-N 518.205 4.221 50 50 KIGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)cc(Br)c1O 987185 HOZRVKJJBKARRY-GOSISDBHSA-N 513.348 4.179 50 50 KIGA Cc1cccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 239305859 GCHZAJKRQMZEAF-FUIGDMOMSA-N 526.269 4.126 50 50 KIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 994597 BGTYTCSYSCHXNA-VWLOTQADSA-N 525.569 4.486 50 50 KIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC)cc1 2520197 IRUZJVBRTONHNL-JFLMPSFJSA-N 539.386 4.198 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)n2-c2ccc(C)cc2)cc1OC 102309304 MJCBLAFLUISMRV-RWPZCVJISA-N 531.594 4.201 50 50 KIGA CCOc1cc(/C=N/NC(=O)c2cncc(Br)c2)c(Br)c(Br)c1O 1234890 YFOCEWFCSXUVLW-CGOBSMCZSA-N 521.991 4.237 50 50 KIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2543098 UMHUPVZYDPJSHQ-CAUYNWHBSA-N 512.316 4.494 50 50 KIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1 2544218 SKGMPWBPRUIWRC-DHRITJCHSA-N 500.736 4.411 50 50 KIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 4258678 SSSBJFYBFAWZPN-DHRITJCHSA-N 512.316 4.414 50 50 KIGA COc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=N/NC(=O)CNS(=O)(=O)c4ccccc4)cc3)sc2c1 102306839 NWUNDGOAKITJGY-MZJWZYIUSA-N 558.037 4.211 50 50 KIGA CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)sc2c1CCCC2 2374512 IVKUSDXLPFVQOP-KRWDZBQOSA-N 540.623 4.422 50 50 KIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 4230090 YFMHJGMGEOUVPB-VUTHCHCSSA-N 501.587 4.273 50 50 KIGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2544227 IPWJBBWQTNDAIW-VULFUBBASA-N 510.344 4.074 50 50 KIGA O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 239174633 QIMHZLSMQJAKQU-KSCVBYKOSA-N 518.205 4.221 50 50 KIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccc(Br)c4)ccc32)cc1OC 1857800911 QVYKMFZJRMLEHL-HSZRJFAPSA-N 543.395 4.452 50 50 KIGA C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 239309951 HYUQDSFIEIZVID-XOSFMJFASA-N 539.051 4.098 50 50 KIGA CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)c1 59596561 DOTYJOAEZIJUPD-DEOSSOPVSA-N 540.667 4.111 50 50 KIGA Cc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c(C)c1 239038697 DRMRVZKNJFFMTQ-NFIMVLNMSA-N 540.296 4.435 50 50 KIGA CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 253486990 CABHISDNAQUMTE-BHHLKQHNSA-N 688.815 4.045 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2OC)cc1 2506308 WXMRVYXDCQOILZ-VULFUBBASA-N 513.344 4.458 50 50 KIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1 4282819 KIWDKWWNRFNFEI-CCVNUDIWSA-N 508.372 4.165 50 50 KIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 4283304 DUULBTCJIRLXIJ-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 2530650 DDHLNABTYYIVBH-LGJNPRDNSA-N 564.845 4.059 50 50 KIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 4283623 HDVUTEHKIABLCG-XBKQAUABSA-N 529.593 4.373 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1 4347425 CBDFYEIIHXHUGO-XODNFHPESA-N 636.240 4.162 50 50 KIGA O=C(CI)Nc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 95696902 YRDPEKZBFANDFE-UHFFFAOYSA-N 515.259 4.039 50 50 KIGA Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCCCCCCCl)C(C)(C)C)cc1 1534206287 ADYHVGXLTSRLTE-MEEYNGGZSA-N 783.429 4.110 50 50 KIGA COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4cccc(C)c4)c3N2)cc1 2795266 YVZRRKPNMCZARV-OALUTQOASA-N 504.538 4.492 50 50 KIGA CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 106599765 FLUUAUPDYBAJPE-WVVPCBRLSA-N 545.556 4.015 50 50 KIGA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(/C=N/NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 150359834 VWNKLMCGTXKADK-DNJOOXRZSA-N 798.816 4.194 50 50 KIGA O=C(NNC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 263639859 MJUQFRIYIFLFRC-UHFFFAOYSA-N 525.196 4.401 50 50 KIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)cc1 2520190 DHYOJKKIALPADX-IPPBACCNSA-N 532.940 4.186 50 50 KIGA COc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1OC(=O)c1cccc(Br)c1 2521210 YDSUTINVXVYIGD-LGJNPRDNSA-N 501.308 4.345 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2542940 AODKUMXRPIKVBP-XKJRVUDJSA-N 518.328 4.240 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1 1246403 DGMSRYAZDXFZLA-JVWAILMASA-N 503.584 4.203 50 50 KIGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 4287160 QRJXPGPHWLNEPP-ZCTHSVRISA-N 537.528 4.222 50 50 KIGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 9195821 MVKZBZYPEJPXAL-LQKURTRISA-N 515.595 4.280 50 50 KIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)cc1 4355519 IRGPVHPCCMVYLA-WCMJOSRZSA-N 598.450 4.354 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc(OC)c1OC 2328723 ZTSPYDVEKLCGJI-JFLMPSFJSA-N 548.581 4.111 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2542854 DFQBOZJRYKRQKD-VFLNYLIXSA-N 514.365 4.410 50 50 KIGA COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 239439031 ZIXMUUAZIKUGQS-IVNPFTBOSA-N 576.285 4.023 50 50 KIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 4372709 ZWMZNVLOBIESDF-AFUMVMLFSA-N 530.318 4.048 50 50 KIGA COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc(OC)c1O 863861 CNBCBDIAFMWTKX-JFLMPSFJSA-N 503.584 4.208 50 50 KIGA Cc1sc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1CN1CCOCC1 12372401 YWSRYHSGLWWWRN-DEOSSOPVSA-N 505.600 4.102 50 50 KIGA COc1cccc(C(=O)Oc2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)c2)c1 239030874 CMNKQEALFWYTSZ-MUJBESKKSA-N 549.215 4.197 50 50 KIGA aggregator O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(F)cc1 239235596 WHGRXPIGAAXOCX-CRCHGLNGSA-N 530.232 4.103 50 50 KIGA COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2C#N)ccc1OC(=O)c1cccc(F)c1 1234612 XCSWSDQZLRNLDV-XODNFHPESA-N 526.318 4.217 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OCC)cc1 4347320 OOHRGGPEVJOYSQ-STBIYBPSSA-N 522.554 4.493 50 50 KIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2529657 AZHWCOPUKBGADW-IPPBACCNSA-N 514.365 4.491 50 50 KIGA CO[C@@H]1[C@H](Sc2ccccc2)OC[C@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O 257358052 RJUJHTIZJWSARV-VCUPSZMWSA-N 642.840 4.466 50 50 KIGA COc1ccc(-c2cc(C(=O)N/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c3ccccc3n2)c(OC)c1 1003455 PTGKFZJCCMSMIR-UVHMKAGCSA-N 500.467 4.320 50 50 KIGA CC(C)(C)[Si](OC[C@H]1[C@@H]2C(=O)O[C@@H]3[C@@H](I)[C@@H]1C[C@@H]32)(c1ccccc1)c1ccccc1 257357210 MRQSOQLDUWWOGH-GNWGRXFHSA-N 532.494 4.174 50 50 KIGA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)C3=C(CCCC3=O)N2)c1 2849637 AHWQEEIUWGTPMX-DEOSSOPVSA-N 549.580 4.200 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)n2-c2ccc(Cl)cc2)cc1 1898232 OLCXFKYZEBYPTK-CCVNUDIWSA-N 552.012 4.302 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1 2531807 DVESWYABBHOGRD-WKULSOCRSA-N 538.398 4.256 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1 4302972 MLGCAINPCRRVGR-UZWMFBFFSA-N 556.619 4.456 50 50 KIGA CCn1c(SCC(=O)N/N=C/c2cc(I)cc(I)c2O)nnc1-c1ccccc1 33358660 BZYJFBSTBKJJQC-LSHDLFTRSA-N 633.253 4.122 50 50 KIGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 4259941 ZYBOMWXIBYKTJI-GRVCRRDESA-N 538.604 4.457 50 50 KIGA O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 101018847 XJCWJVXWGWGZCU-OMTYBJBPSA-N 524.493 4.215 50 50 KIGA CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccc(S(N)(=O)=O)cc3)=C(C)N2)cc1 6184561 AOQURLVCSWVGKW-SANMLTNESA-N 577.688 4.196 50 50 KIGA CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)ccc1O 100614035 DULHQHYXMMYFNO-MUFRIFMGSA-N 563.636 4.307 50 50 KIGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)cc1 2520116 UHQQLXMEWNTVAY-XODNFHPESA-N 502.914 4.096 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCC)sc2c1CCCC2 25584219 ZGNHBZGSEXOJNP-WYMPLXKRSA-N 522.421 4.054 50 50 KIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C(N)=C(C#N)[C@H]2c1ccc(Br)s1 3669890 LLBNLMLYADLRNA-IBGZPJMESA-N 533.473 4.099 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)n2-c2ccc(C)cc2)cc1 1474462 WOMJKPXUUZLXEA-JFLMPSFJSA-N 501.568 4.192 50 50 KIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)n2-c2ccc(C)cc2)cc1 1474682 PWFFFXUJKNBMMJ-RWPZCVJISA-N 515.595 4.257 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2OCC)cc1 4347120 UZEYCMVDZAEKCF-LQKURTRISA-N 509.946 4.445 50 50 KIGA CN(C)N1C(N)=C(C#N)[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)C2=C1CC(C)(C)CC2=O 12402268 OMPUXTDSNXOMCV-MUUNZHRXSA-N 502.018 4.254 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])n2-c2ccc(OC)cc2)cc1 1824951 BUBACZZBDXSQEE-CVKSISIWSA-N 518.555 4.102 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 2532171 VWZPMHJHJKYICF-FDAWAROLSA-N 525.492 4.353 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(OCC)cc3)cc2OC)cc1 4347287 GVHHCYAHCFZUBS-BIZUNTBRSA-N 547.608 4.372 50 50 KIGA O=C(Nc1cccnc1)OC[C@H](NC(=O)C(Cl)Cl)[C@@H](OC(=O)Nc1cccnc1)c1ccc([N+](=O)[O-])cc1 2049513493 HQIIJGCPAWUQKF-OALUTQOASA-N 563.354 4.212 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2529721 WWFUJUJJFZKTPP-KKMKTNMSSA-N 504.301 4.449 50 50 KIGA COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1 2543932 BLBBHXKXACMQQF-VULFUBBASA-N 513.344 4.215 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 4282360 OFUXHWPRPCYPAM-JFLMPSFJSA-N 524.371 4.464 50 50 KIGA COc1nn([C@@H](C)C(=O)N/N=C(\C)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2)cc1[N+](=O)[O-] 8456087 DTNIPQLEPSAJEX-UYXPTBCOSA-N 542.980 4.269 50 50 KIGA Cc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c(C)c1 239038689 DRMRVZKNJFFMTQ-AOBMCSEBSA-N 540.296 4.435 50 50 KIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 4287167 NHRZJKGTSFSNEK-IBBHUPRXSA-N 556.015 4.224 50 50 KIGA CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 106599759 FLUUAUPDYBAJPE-VNIQIGACSA-N 545.556 4.015 50 50 KIGA O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(F)cc1 239235599 WHGRXPIGAAXOCX-RFPOMQOQSA-N 530.232 4.103 50 50 KIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc1 4366414 HKWNTOLXMFBPGX-ZVHZXABRSA-N 500.292 4.283 50 50 KIGA O=C(O)COc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 2698609 BENPLMLRCGFRGE-LSFURLLWSA-N 509.034 4.190 50 50 KIGA COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 4231765 NUOZCVLWUOIMTF-ZVHZXABRSA-N 502.390 4.331 50 50 KIGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 2853667 QNPYBXVZXRCUEW-AWEZNQCLSA-N 513.597 4.106 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(O)cc3)n2-c2ccc(OC)cc2)cc1 8431894 QHLWGBPLYHOFQU-WPWMEQJKSA-N 503.584 4.290 50 50 KIGA Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1 2532188 VACJDAAGXCELSP-MUFRIFMGSA-N 536.009 4.449 50 50 KIGA COc1ccc(C(=O)NNC(=S)NCCc2ccccc2)cc1COc1ccc(Br)cc1 2794612 APUQQWILHFCLTF-UHFFFAOYSA-N 514.445 4.388 50 50 KIGA Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 245380745 JUYPWMMOAJWJNI-PPTJPPEBSA-N 575.253 4.317 50 50 KIGA O=C(Cc1ccccc1)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 245229548 AOTISEAPCODZOJ-JXYJOFSCSA-N 533.216 4.117 50 50 KIGA CO[C@@H]1[C@H](Sc2ccccc2)OC[C@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 257358051 RJUJHTIZJWSARV-JPBXYORASA-N 642.840 4.466 50 50 KIGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c1 1475053 GKTSZNWDHJRQRI-JVWAILMASA-N 503.584 4.203 50 50 KIGA C=CCOc1ccc(/C=N/NC(=O)CCCCCC(=O)N/N=C/c2ccc(OCC=C)c(OC)c2)cc1OC 4527639 FOPYVHVPIUGLPD-OQIGUVFWSA-N 536.629 4.384 50 50 KIGA COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1OC 1472181 DDVAJZAMRXVLCX-QHCPKHFHSA-N 522.399 4.397 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1 2542790 XJPJRVWHILKQCZ-XODNFHPESA-N 544.789 4.210 50 50 KIGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(Cn2nc(C)c([N+](=O)[O-])c2C)c1 2081453 PLVLCGQGCVUGFQ-QHCPKHFHSA-N 529.553 4.247 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3C)cc2OC)cc1 2543210 YIZZPTSMZNEMEV-RWPZCVJISA-N 509.946 4.364 50 50 KIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 4258785 IDGGHWLBVOHVTA-WOLHVBPDSA-N 548.459 4.466 50 50 KIGA NNC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccc(Br)cc1 17306931 DENLYTNLJZEOBE-NRFANRHFSA-N 532.236 4.133 50 50 KIGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 102316101 TULSMVJOBCWWOS-IPPBACCNSA-N 520.362 4.321 50 50 KIGA O=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 3185586 LEVUGJCIFKFWLI-ZMOGYAJESA-N 536.160 4.381 50 50 KIGA CCCN(CC)CCOC(=O)[C@](O)(c1ccccc1)[C@]1(Br)C=CC=C[C@H]1Br 252666795 CHKAKXCJZYVJBB-HLAWJBBLSA-N 501.259 4.173 50 50 KIGA COc1cccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)c1 2544010 CTRBMCANQOGMRG-OCSSWDANSA-N 527.533 4.174 50 50 KIGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)c1 2544238 UZHJZWRRNSTZEO-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(I)cc(I)c1O 100612943 ADQPSOIHGRVIBI-FBCYGCLPSA-N 595.225 4.454 50 50 KIGA COc1cc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc(OC)c1OC 2542505 UGGQVEAEMLVVHE-VULFUBBASA-N 513.344 4.458 50 50 KIGA Cc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1[N+](=O)[O-] 239203330 SDUBDWYFLKQQRT-BQLFOJHWSA-N 571.266 4.180 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)n2-c2ccccc2)cc(OC)c1OC 1477479 UAPSHUGTTGHZEQ-STBIYBPSSA-N 546.653 4.269 50 50 KIGA O=C(N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2869941 GNLVWCHSUZQPMJ-VKSJCQJWSA-N 523.501 4.295 50 50 KIGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C 2542844 ZBUABSUEDVGGPN-CCVNUDIWSA-N 508.372 4.165 50 50 KIGA Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CC(C)(C)C2 12462559 GQWCEVQDGNXWCB-RUZDIDTESA-N 506.657 4.394 50 50 KIGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc(O)c2ccccc2n1 97946744 MPPKGDNAYDUHOJ-PYCFMQQDSA-N 564.627 4.273 50 50 KIGA O=C(Nc1cccnc1)OC[C@@H](NC(=O)C(Cl)Cl)[C@@H](OC(=O)Nc1cccnc1)c1ccc([N+](=O)[O-])cc1 2049513492 HQIIJGCPAWUQKF-MOPGFXCFSA-N 563.354 4.212 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1 2544032 NBYCWLOCBCZLMM-JFLMPSFJSA-N 540.370 4.164 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1 4354530 ICRNDWAATOTCRL-LQKURTRISA-N 509.946 4.445 50 50 KIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1 2543693 QITWMOUGUZPSFD-JFLMPSFJSA-N 524.371 4.328 50 50 KIGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)cc1 4230300 HTMZWKCMBQVXGF-CVKSISIWSA-N 509.360 4.189 50 50 KIGA CC(=O)O[C@H]([C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](O)C=O 170172280 TVXPYOJFXNMPNJ-ZPAWJIGKSA-N 699.005 4.361 50 50 KIGA O=C(NN=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1)C(=O)N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 261490487 NJJVENRNXRIDTP-YKBZFZJCSA-N 750.822 4.322 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc4ccccc34)cc2OC)cc1 4355703 QUQWSXMDGHPILR-KCSSXMTESA-N 525.561 4.346 50 50 KIGA C[Si]1(O)n2c3c4ccccc4c2N=C2N=C(N=c4c5ccccc5c(n41)=NC1=NC(=N3)c3ccccc31)c1ccccc12 170153559 RFJMHYRHTVTYGU-UHFFFAOYSA-N 572.664 4.497 50 50 KIGA O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)c1ccccc1 239212551 SXFHBOXRMAKKMA-IGQFXSRTSA-N 561.226 4.009 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2532006 WHJDBYPCEJUFKT-XODNFHPESA-N 500.338 4.101 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 2585035 WMDYZSVLMWLGPY-DHRITJCHSA-N 528.315 4.358 50 50 KIGA CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)nnc2-c2ccccc2)cc1 100853482 OCFYGACORGYIGZ-LQKURTRISA-N 531.594 4.039 50 50 KIGA Cc1cccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 239305860 GCHZAJKRQMZEAF-IZGRHMBUSA-N 526.269 4.126 50 50 KIGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)C3CCN(Cc4ccc(F)cc4Cl)CC3)ccc12 1120263 QWOKSYVYSBOAQJ-UHFFFAOYSA-N 502.999 4.124 50 50 KIGA COc1ccc(OC)c(/C=N/NC(=O)c2ccc(COc3ccc4c(c3)OCO4)o2)c1Br 2097776 RLEGKIYDSUROCT-YSURURNPSA-N 503.305 4.131 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1OC 100302734 FNZXGACSUPYSMZ-WPWMEQJKSA-N 532.582 4.492 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)cc2OC)cc1 2531890 ZYVCMEMLKZTFBX-JFLMPSFJSA-N 540.370 4.164 50 50 KIGA COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 43761047 MWMZSOQSGAJIQB-UVHMKAGCSA-N 500.338 4.448 50 50 KIGA COc1cc(C=NNC(=O)c2ccc(N=Cc3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC 254403442 IBZURPBMGMUHGQ-UHFFFAOYSA-N 507.543 4.253 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccc(Cl)cc1 4354095 LDFQVYWQODGHTC-XODNFHPESA-N 544.789 4.210 50 50 KIGA COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)N(C)c3c(C)cc(Br)cc32)c1 105993014 VNBHIRXMFQMHEJ-IIDSZUDYSA-N 577.435 4.043 50 50 KIGA CCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 239402565 QUKAOSSKAAGYFM-RFPOMQOQSA-N 513.226 4.455 50 50 KIGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cc(Cl)c(OCC(=O)OC)c(Cl)c1 679589 XIFCRGHMUHCXNT-LJQANCHMSA-N 503.338 4.327 50 50 KIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 2531598 CBKDZWQNGMSCCG-DHRITJCHSA-N 512.316 4.414 50 50 KIGA C/C(=N\NC(=O)CCC(=O)Nc1ccc(I)cc1)c1ccc(Br)cc1 12343116 UKPHOGMFCDIEQH-WSDLNYQXSA-N 514.161 4.313 50 50 KIGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc1 3113427 GMADIQDUSSMGHR-AFUMVMLFSA-N 514.319 4.348 50 50 KIGA COc1cc(Br)ccc1OCC(=O)N/N=C/c1ccccc1/C=N/NC(=O)COc1ccc(Br)cc1OC 150351380 KKWXLGQHSVKIMF-HZUVFDMRSA-N 648.308 4.287 50 50 KIGA CCn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nnc1-c1ccccc1 864008 PJNLSCAIYRYERU-LSHDLFTRSA-N 539.253 4.438 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 2542662 UAACLLVRBUDODE-MUFRIFMGSA-N 516.579 4.205 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2544507 STCJEVCGYPRIHF-XODNFHPESA-N 500.338 4.101 50 50 KIGA COc1ccc(Br)cc1[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 16034222 VNGYTHJVEJPTHM-UYAOXDASSA-N 510.392 4.118 50 50 KIGA C/C(=N\NC(=O)c1c(CN2CCCCC2)nnn1-c1nonc1N)c1ccc(OCc2cccc3ccccc23)cc1 102277793 ZBMBHORIRHXIAQ-UZWMFBFFSA-N 565.638 4.105 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2531946 MJPGAUXOFJOCCA-JFLMPSFJSA-N 524.371 4.464 50 50 KIGA COc1cc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)ccc1OC(C)=O 100318123 AMNFCDYEZZVYCT-OKCVXOCRSA-N 591.646 4.136 50 50 KIGA Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(Br)cn2)C2=C1C(=O)CC(C)(C)C2 1422956 UBDVBRSWNKYZCU-VWLOTQADSA-N 504.388 4.200 50 50 KIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1nnc(-c2ccccc2)s1 2529736 HOGJIJWXMJBQEP-VULFUBBASA-N 505.943 4.167 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2532178 RNKOHCRYORMWDF-JFLMPSFJSA-N 524.371 4.464 50 50 KIGA O=C(OC1CCCCC1)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 239274948 AZGJSUXQFRMYBY-KSCVBYKOSA-N 525.237 4.458 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)/C=C/c1ccccc1 2521134 ROSBFTAHGROFJH-DCDCEOKTSA-N 528.590 4.215 50 50 KIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)c1ccccc1 2530527 RKJVAFYITWBKIC-MUFRIFMGSA-N 516.579 4.205 50 50 KIGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1 59706482 BNZXUCJOWDIHSZ-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA CCOc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 239347331 MSTXHLPIQDVVNQ-YBZCJVABSA-N 556.295 4.362 50 50 KIGA COC1=CC2=C(C=O)C[C@@H]3[C@@H]4CC[C@@]5(OCO[C@]56COCO6)[C@@]4(C)C[C@H](OC(=O)C(F)(F)F)[C@@H]3[C@@]2(C)CC1 253498921 AZUQQHPTAMFSRK-UACKXVEASA-N 542.547 4.186 50 50 KIGA biogenic C=C[Si@]1(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si@@](C)(C=C)O1 1857795410 BTSUMWRSCQGUHW-ZPGRZCPFSA-N 568.926 4.174 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 2553507 OKXAJBVVXIFQIL-VULFUBBASA-N 550.394 4.276 50 50 KIGA Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)[C@H](NC(=O)c1ccccc1)c1nnc(O)c2ccccc12 252680115 WCSUTFCGMDJJOZ-XMMPIXPASA-N 539.983 4.104 50 50 KIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Br)c1 691392 CAVMQCXAZRUDIX-NTKDMRAZSA-N 505.416 4.190 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1OC 2544442 FLEYPPDPKYEVOR-VFLNYLIXSA-N 530.364 4.110 50 50 KIGA COc1ccc(/C=N/NC(=O)[C@@]2(C)CC2(Br)Br)cc1COc1ccc(C#N)cc1 2090675 BSFGJAGGKPYBBX-UEAIBJGASA-N 521.209 4.492 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)cc2OC)cc1 2518694 UEQFKWQUNXYRJZ-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA O=C(Nc1cccnc1)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](OC(=O)Nc1cccnc1)c1ccc([N+](=O)[O-])cc1 2049513495 HQIIJGCPAWUQKF-RTBURBONSA-N 563.354 4.212 50 50 KIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 4372765 XJAJFGSISPPMDA-PVLQNKMRSA-N 512.316 4.494 50 50 KIGA Cc1cc(C)cc(N2C(N)=C(C#N)[C@]3(C(=O)N(Cc4cccc(F)c4)c4ccccc43)C3=C2COC3=O)c1 12445716 GVZFDKRDKROSKO-PMERELPUSA-N 506.537 4.252 50 50 KIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)cc1 4260094 FIUDXIWGHBRSNW-FDAWAROLSA-N 517.582 4.282 50 50 KIGA O=C(NNC(=O)C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(C(F)(F)F)cc1 263639796 JBEGEWXARCOSJJ-UHFFFAOYSA-N 508.850 4.446 50 50 KIGA COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4ccccc4C)c3N2)cc1 2794755 KVSZISNOGGXEHX-RTBURBONSA-N 504.538 4.492 50 50 KIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c1 4283511 WPMRPQHIGOYREP-HNSNBQBZSA-N 535.556 4.314 50 50 KIGA COc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 20228544 DHBCHOTYRFNYBW-AQTRZRMFSA-N 504.539 4.194 50 50 KIGA COc1cccc(N2[C@H](c3ccc(Br)cc3)[C@@H]3C(=O)OC(=O)[C@H]3C23C(=O)c2ccccc2C3=O)c1 239173645 OJHGUFXIZQAOOR-BHIFYINESA-N 532.346 4.153 50 50 KIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1OC 2553732 ITBNWWPISNSUBG-VTNSRFBWSA-N 525.561 4.265 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 8916749 VYSITHUSFMNANF-YZSQISJMSA-N 502.556 4.484 50 50 KIGA O=C(N/N=C/c1ccc(F)cc1)C1=NO[C@H](CN(CCNc2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(F)cc2)C1 150352427 YXNIGENYUQHUAD-FGHOTFITSA-N 645.010 4.430 50 50 KIGA Cc1ccccc1OC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 239235697 WMWZOLIDOXWGGQ-IFVJRSKQSA-N 527.253 4.093 50 50 KIGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1OC 1240633 BUZQZYCHRCONPH-LQKURTRISA-N 533.610 4.211 50 50 KIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)c1ccc(OC)cc1 4330514 XJIVATLNGBEGSG-FMFFXOCNSA-N 586.645 4.464 50 50 KIGA COc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 239203206 RYIVNTVNSJJKNS-YRXWBPOGSA-N 579.241 4.161 50 50 KIGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@](O)(C(=O)CBr)[C@@]4(C)CC(=O)[C@@]32Br)C1 257348041 AVRCFKGYMAJDIJ-BULMARQRSA-N 548.312 4.352 50 50 KIGA CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)nnc2-c2ccccc2)cc1 1474414 BHTBOVPLJHOQOZ-JVWAILMASA-N 501.568 4.274 50 50 KIGA CC1CCN(Cc2c(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3OCc3c(Cl)cccc3Cl)nnn2-c2nonc2N)CC1 150395135 OIVHZTQPOANEMW-PNQUVVCRSA-N 629.465 4.022 50 50 KIGA Cc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1[N+](=O)[O-] 239203331 SDUBDWYFLKQQRT-IXFQNSDBSA-N 571.266 4.180 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2520127 IGZOYSADFBTPKV-XODNFHPESA-N 500.338 4.101 50 50 KIGA O=C(CSn1nnnc1-c1ccccc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 2906597 LSODIIDACATVNP-AFUMVMLFSA-N 523.416 4.328 50 50 KIGA CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 253486991 CABHISDNAQUMTE-CPDWIVBOSA-N 688.815 4.045 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)cc2)cc1 2543080 WFUMGGWLDVGOPB-CVKSISIWSA-N 510.344 4.156 50 50 KIGA 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)NCCc1ccc(O)cc1 253487096 DUNUCUVGOJIKIR-RBSSHCIJSA-N 616.752 4.113 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 4327090 FBJWWFPHWFJQJH-VULFUBBASA-N 510.344 4.074 50 50 KIGA COc1cc(Br)c(Br)c(/C=N\NC(=O)c2ccc(Br)cc2)c1O 15723843 YYLCMYKXHWGJLH-GXHLCREISA-N 506.976 4.452 50 50 KIGA CCOc1cc(/C=N/NC(=O)COc2ccc(I)cc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2839967 GJKCJUGNGLZGMP-VULFUBBASA-N 589.342 4.346 50 50 KIGA O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1)c1ccccc1 239309517 HQEYGQSENLGIIZ-YBZCJVABSA-N 561.226 4.009 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1OC 2565216 VDCOWOATJFNKGW-VFLNYLIXSA-N 574.815 4.219 50 50 KIGA COc1cc(/C=N/NC(=O)C2=NO[C@@H](c3c(Br)c(OC)c4c(c3Br)OCO4)[C@@H]2C)cc(OC)c1OC 150400423 XCQLMTDRGMMIPM-SAOFQSGKSA-N 629.258 4.188 50 50 KIGA C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 239025611 BWUKSGVBUJEPIT-AGWJJECISA-N 576.285 4.371 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OCC)cc3)cc2OC)cc1 4330704 LGJAGOUGFMSBGX-RDRPBHBLSA-N 519.554 4.191 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)/C=C/c1ccccc1 4355586 PRVHDZWPBKXUJP-TWTRLFOUSA-N 568.630 4.465 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1OC 2531362 MSQXIKSOQHJOGG-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1OC 2544185 MDBZQZRDLCGMLS-MZJWZYIUSA-N 540.370 4.083 50 50 KIGA C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)c1O 4283075 WUMUXUDZNUPUJJ-JFLMPSFJSA-N 521.371 4.224 50 50 KIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2542696 QBHCODCKSKOBEN-IPPBACCNSA-N 514.365 4.491 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 4209952 QNXAESZPWYTIFI-VULFUBBASA-N 597.394 4.118 50 50 KIGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c(OC)c1 100613986 RHOASOKZWXOLAI-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2OC)cc1 102266915 HPWUPOUNLINZMM-BIZUNTBRSA-N 572.618 4.074 50 50 KIGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1126961 GGGNZWVNXQYUPD-IBGZPJMESA-N 512.320 4.195 50 50 KIGA COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc(OC)c1OC(C)=O 1474970 GXBKEBCHWBYZPO-MUFRIFMGSA-N 545.621 4.428 50 50 KIGA O=C(CI)Nc1c(O)ccc2c1Oc1cc(O)ccc1[C@]21OC(=O)c2ccccc21 117250673 YEPIGKFMXQOFJS-QFIPXVFZSA-N 515.259 4.039 50 50 KIGA CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1O 100613974 FDPZEAADZCULSQ-MUFRIFMGSA-N 563.636 4.307 50 50 KIGA COC(=O)c1c(NC(=S)NNC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)sc(C(=O)N(C)C)c1C 2856843 COKJNSGWIXRXAS-UHFFFAOYSA-N 591.671 4.120 50 50 KIGA C[C@]1(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)CC1(Br)Br 225636162 NDYLNOCOQCPARK-HAMQKRSMSA-N 642.770 4.192 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 2543997 YSKDIAHWMWDOSU-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)c1 239121311 JSFRJPSKBGTYKR-MUJBESKKSA-N 549.215 4.197 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2OC)cc1 4259551 PZDZXURBHHJQKD-VULFUBBASA-N 513.344 4.215 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(Cl)cc1Cl 2543231 FOASRZCSTHCZAD-VFLNYLIXSA-N 514.365 4.410 50 50 KIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1 2597741 VHLLQNPRSDAKFT-JFLMPSFJSA-N 518.371 4.399 50 50 KIGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)OC2)[C@@]12C(=O)N(Cc1ccccc1F)c1ccccc12 12375506 FBZPPNZZAMSAAL-NDEPHWFRSA-N 512.928 4.289 50 50 KIGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 25584367 QGPWVAAAOPEPLE-RWPZCVJISA-N 511.542 4.286 50 50 KIGA O=C(NNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@H](Sc1ccccc1)c1ccccc1 6229189 VANDIWZLLZAPMO-JOCHJYFZSA-N 550.691 4.129 50 50 KIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1OC 2544524 WWBWZQLCCLEWJB-VTNSRFBWSA-N 525.561 4.265 50 50 KIGA CCCSc1nnc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4c3ccc(Cl)c4C)C3=C2CCCC3=O)s1 12411403 IAWSIIMPFFRBMS-QHCPKHFHSA-N 513.048 4.413 50 50 KIGA CCOc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OCC(=O)OC 59603655 YEKNLIOZUXLDSO-CXUHLZMHSA-N 522.359 4.103 50 50 KIGA C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 239174388 PYCGDVYMTKSUMD-UGLNPXEGSA-N 572.603 4.464 50 50 KIGA COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c(OC)c1 2328133 QLFPHHUFDKUIJM-FOKLQQMPSA-N 504.659 4.407 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC(C)=O)c(OC)c3)n2-c2ccccc2)cc1OC 6074018 GDJKRWUBDUCAHJ-MUFRIFMGSA-N 561.620 4.128 50 50 KIGA C[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)NNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 59603268 QPOCNTQIHMKPGQ-FQEVSTJZSA-N 590.731 4.388 50 50 KIGA N=C1O[C@@H](c2ccc(Cl)cc2Cl)C(=N\NC(=O)c2ccccc2O)/C1=N/NC(=O)c1ccccc1O 102308622 DSANEDVTSMIYAF-YTDLMQJGSA-N 526.336 4.025 50 50 KIGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@](O)(C(=O)CBr)[C@@]4(C)CC(=O)[C@@]32Br)C1 257348042 AVRCFKGYMAJDIJ-MVOUCSTRSA-N 548.312 4.352 50 50 KIGA COc1ccc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 17024752 OTWAMIYNYQEQJW-CZYCKNNWSA-N 526.634 4.442 50 50 KIGA O=C(N/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCOCC1)c1ccccc1 102303269 VYLTWJDMFSEYDQ-JVCXMKTPSA-O 521.577 4.111 50 50 KIGA CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C1 146346201 AJGGVBSVVWMZRI-RHBXAEEVSA-N 646.833 4.285 50 50 KIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 2530525 ZVWNCYKEGVKFAH-CVKSISIWSA-N 510.344 4.156 50 50 KIGA CCOC(=O)C1=NO[C@@H](Cc2c(/C=N/NC(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)c(OC)c3c(c2OC)OCO3)C1 150417254 LTHYKQZWLOXFJC-DKJIVSQDSA-N 633.683 4.464 50 50 KIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2[C@H]1c1c(F)cccc1Cl 1775978093 ZLTWVGAMNDIZAP-JOCHJYFZSA-N 514.918 4.236 50 50 KIGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1 2544253 PKXBNXXNVYYSRX-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA NNC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccc(Br)cc1 59738418 DENLYTNLJZEOBE-OAQYLSRUSA-N 532.236 4.133 50 50 KIGA O=C(N/N=C/c1cc(I)c(O)c(I)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 150347251 GRGCTHCTIOHTMY-LLADRDHOSA-N 681.224 4.251 50 50 KIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 4287164 ZSOBSESXYCQLBU-WKULSOCRSA-N 538.398 4.256 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 25584352 YPYWRBWYWNQDFT-VULFUBBASA-N 505.943 4.167 50 50 KIGA O=C(CCCCCC(=O)N/N=C/c1cc(Br)ccc1O)N/N=C/c1cc(Br)ccc1O 2506322 OBGSRQBSUGJJDW-DWGHPKEWSA-N 554.239 4.174 50 50 KIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 2520200 IDGGHWLBVOHVTA-JUCPORTRSA-N 548.459 4.466 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(C)c3)cc2OC)cc1 4282412 UBVJREJRFBQTNQ-FDAWAROLSA-N 517.582 4.282 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)cc3)cc2OCC)cc1 4292845 OQFHTFRGOMOYJK-OKCVXOCRSA-N 523.973 4.237 50 50 KIGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2532138 HVGNVNAUMFUYKB-UVHMKAGCSA-N 559.214 4.311 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2OCC)cc1 4355562 SNTKAIMANQBMJA-JVWAILMASA-N 507.499 4.141 50 50 KIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 4302473 RTVNLIGZXIXQLZ-DPNNOFEESA-N 555.587 4.355 50 50 KIGA COc1ccc(Nc2ccc(C(=O)N/N=C/C=C/c3ccc([N+](=O)[O-])o3)cc2S(=O)(=O)C(F)F)cc1 2897549 RWLZUCSXBNHMRS-JRUCXRJDSA-N 520.470 4.365 50 50 KIGA Cc1ccccc1NC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 239159566 MJGYSADTZJSDJM-JTWOFWSOSA-N 526.269 4.126 50 50 KIGA COc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)c(OC)c3)CC(=O)N2)c(OC)cc1Cl 1252584 FQVXKHORXPZPQL-CQSZACIVSA-N 517.991 4.085 50 50 KIGA COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 43761009 NXCZXVHDMSEGDW-UVHMKAGCSA-N 500.338 4.448 50 50 KIGA CCOc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 239347330 MSTXHLPIQDVVNQ-VTLVALNESA-N 556.295 4.362 50 50 KIGA N=C1O[C@H](c2ccc(Cl)cc2Cl)C(=N\NC(=O)c2ccccc2O)/C1=N/NC(=O)c1ccccc1O 102308627 DSANEDVTSMIYAF-KZSRKZFGSA-N 526.336 4.025 50 50 KIGA COc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1CSc1ccccn1 4210718 KNEHMQYQQWTURL-CCVNUDIWSA-N 505.625 4.283 50 50 KIGA O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 59826585 UAZLRPVCCNWZQU-KPSZGOFPSA-N 551.973 4.117 50 50 KIGA O=C(OCc1ccccc1)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 239254581 YKSWNJUEZZTZGM-MUJBESKKSA-N 533.216 4.326 50 50 KIGA COc1ccc(-c2nn(Cc3ccccc3Cl)cc2/C=N/NC(=O)c2cc(O)cc(O)c2)cc1OC 13321917 WAYQGZCNZJAEOR-XODNFHPESA-N 506.946 4.444 50 50 KIGA C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 239174389 PYCGDVYMTKSUMD-XYZAMXCZSA-N 572.603 4.464 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2OC)cc1 4302795 UYYKFAGPWLIBSD-FMFFXOCNSA-N 586.645 4.464 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)n2-c2ccccc2)cc(OC)c1OC 59706475 UZXXVKJNKNBJAY-OKCVXOCRSA-N 593.662 4.228 50 50 KIGA COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2Br)=C(C#N)[C@@H]1c1ccc(C)cc1 220954160 SWHARRLTXQKYMT-LEWJYISDSA-N 528.428 4.176 50 50 KIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1 4330302 FVXPJGAAAGDKHZ-OKCVXOCRSA-N 568.424 4.346 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 2532050 HMHVLDJQIOOKBJ-VFLNYLIXSA-N 514.365 4.410 50 50 KIGA O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12 2532246 AKHAUJXPODELPR-LQKURTRISA-N 521.982 4.141 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 4347423 NZZVEJSTDLXODL-WCMJOSRZSA-N 598.450 4.354 50 50 KIGA O=C(NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)c1cn(-c2ccc(Br)cc2)nn1 1875351814 KCEFAYNBVUPFCO-UHFFFAOYSA-N 504.270 4.263 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2542816 LZJOKFWWCJUCFU-VFLNYLIXSA-N 514.365 4.410 50 50 KIGA CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1Br)c1ccc(Oc2ccccc2)cc1 14186125 SRLWHGCZAAIACZ-BUVRLJJBSA-N 502.390 4.158 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2506400 QTTXIVYPDZEIFF-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 4329572 JKNBSGJAFZCJND-KPGMTVGESA-N 628.476 4.363 50 50 KIGA COc1cc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 20228542 DHBCHOTYRFNYBW-TWXWIQKESA-N 504.539 4.194 50 50 KIGA Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1 239321936 IYBXYRNDEYCVQH-ZKXGSZBFSA-N 575.253 4.317 50 50 KIGA CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2c(O)ccc3cc([N+](=O)[O-])ccc23)cc1 22065082 OYIIJVAOYNNYMA-HYMSQCFPSA-N 523.549 4.441 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 25584009 VWBYTIUUXLOMIA-DHRITJCHSA-N 510.528 4.061 50 50 KIGA Cc1ccc(-n2c(SCC(=O)N/N=C3\C(=O)Nc4ccccc43)nnc2-c2ccc(Cl)cc2)cc1 863899 NUAGNFGAKXGAMU-UHFFFAOYSA-N 502.987 4.461 50 50 KIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1OC 2543812 CTZKHROGOXXEPY-VULFUBBASA-N 513.344 4.458 50 50 KIGA CCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 239433167 XHMNNMCZBVOOBZ-DNLMCPORSA-N 513.226 4.455 50 50 KIGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)OC2)[C@@]12C(=O)N(Cc1ccccc1F)c1ccccc12 12375502 ZJPUXTFZQKTOAU-NDEPHWFRSA-N 512.928 4.289 50 50 KIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 4335827 SZQWPMDRSKXLGP-MUFRIFMGSA-N 538.398 4.337 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 4258767 NHXDLBQGZHMWGZ-NDZAJKAJSA-N 506.518 4.247 50 50 KIGA COc1nn([C@H](C)C(=O)N/N=C(\C)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1[N+](=O)[O-] 20311114 VQWJXVFUUFAMOY-TXMABLNQSA-N 506.563 4.451 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1OC 4327038 LTYDVRGPVGVUPE-ALQBTCKLSA-N 581.581 4.022 50 50 KIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Br)c1 691389 CAVMQCXAZRUDIX-YADARESESA-N 505.416 4.190 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3I)cc2)cc1OC 2530293 FHRDBVQAOXDVPJ-AFUMVMLFSA-N 530.318 4.292 50 50 KIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 3038062 IPOOEGYETVTMQF-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA O=C(Nc1cccnc1)OC[C@H](NC(=O)C(Cl)Cl)[C@H](OC(=O)Nc1cccnc1)c1ccc([N+](=O)[O-])cc1 2049513494 HQIIJGCPAWUQKF-RBUKOAKNSA-N 563.354 4.212 50 50 KIGA COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(Br)c1 2521187 CJLOGSXZWFRIRO-DHRITJCHSA-N 528.315 4.114 50 50 KIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3I)c2)cc1 2543094 GVNBCNPCKSNEQW-ZVHZXABRSA-N 500.292 4.283 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(C)c3)cc2OCC)cc1 4283443 QIFSFRJMSHXPGW-FDAWAROLSA-N 517.582 4.282 50 50 KIGA Cc1c(NC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)ccc(Br)c1Cl 245380726 IQZVDUONLNMOQN-QJPVEVLHSA-N 583.502 4.127 50 50 KIGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)c1 4261158 DECFLCZZRCPIJJ-JVWAILMASA-N 521.371 4.355 50 50 KIGA CC(C)(C)[Si](C)(C)OC1[C@H]2OC3(CO)OC([C@@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O3 169835763 PRYNFDJQFAFJFT-BLHSVFCLSA-N 514.691 4.390 50 50 KIGA O=C(OCc1ccccc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 239125193 KBRXGPJHMJHCOO-CPPNMTBBSA-N 533.216 4.326 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2OCC)cc1 4327126 LZYIWALFNRTFFG-STBIYBPSSA-N 559.604 4.311 50 50 KIGA O=C(Cc1ccccc1)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 230016794 AOTISEAPCODZOJ-VTLVALNESA-N 533.216 4.117 50 50 KIGA O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(F)cc1 239235598 WHGRXPIGAAXOCX-JMCDZUJHSA-N 530.232 4.103 50 50 KIGA CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 1761067 ORPUWRGXMPXMPJ-WGOQTCKBSA-N 502.556 4.484 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1ccc(Br)cc1 2597689 GUPSBNXSADGOQC-DHRITJCHSA-N 500.736 4.411 50 50 KIGA COc1cc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@@H]2C)ccc1OCc1ccc(Cl)c(Cl)c1 102278689 OAPGEQLYSNAPKT-VVZCZEDLSA-N 614.494 4.265 50 50 KIGA COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 239439180 ZNTMHFQXBHTUJA-XVMGYKCHSA-N 549.215 4.197 50 50 KIGA Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 245380744 JUYPWMMOAJWJNI-DMAQGEDHSA-N 575.253 4.317 50 50 KIGA CCOC(=O)c1c(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])sc2c1CCCCC2 2851769 OTUJCISGTNWTFR-CQSZACIVSA-N 520.633 4.195 50 50 KIGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(OC)cc1 4326914 QRPSOCOVPUMSAT-DCMOEJRUSA-N 507.499 4.139 50 50 KIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1 2543709 OSBWNPCRBHEVCY-JFLMPSFJSA-N 524.371 4.328 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2I)ccc1OCc1ccc(Cl)cc1 2544445 SVTOVOJUAUFEHL-XODNFHPESA-N 577.806 4.412 50 50 KIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 4329659 UMHUPVZYDPJSHQ-PVLQNKMRSA-N 512.316 4.494 50 50 KIGA COc1cc(/C=N/NC(=O)C2=NO[C@H](c3c(Br)c(OC)c4c(c3Br)OCO4)[C@H]2C)cc(OC)c1OC 150400428 XCQLMTDRGMMIPM-ABGMPKSXSA-N 629.258 4.188 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 4296165 ODEIQOSOQHOGIN-CVKSISIWSA-N 510.344 4.156 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Br)c3)cc2)cc1 4330784 IJMKGMVDRBLORS-MUFRIFMGSA-N 538.398 4.337 50 50 KIGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)cc1CN1CCOCC1 12648884 CFPVRESHGAWFIL-SANMLTNESA-N 505.018 4.486 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1OC 2542857 MRNRRUPKEFAPOG-MZJWZYIUSA-N 540.370 4.083 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1 4231969 OHNSNDAJSOPFHO-VUTHCHCSSA-N 529.574 4.479 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1 4292408 DDZRDUVKMQFWGI-LQKURTRISA-N 508.527 4.103 50 50 KIGA Cc1cc(NC(=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)c(C)cc1Br 239310211 IFWNZUBVPWZXCW-GLVWSHNYSA-N 577.111 4.171 50 50 KIGA COc1nn([C@H](C)C(=O)N/N=C(\C)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2)cc1[N+](=O)[O-] 8456084 DTNIPQLEPSAJEX-ITSLKUJBSA-N 542.980 4.269 50 50 KIGA C=C(C)Cn1c(SCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 2385188 TYMDVYCLDLXPKW-FOKLQQMPSA-N 515.393 4.434 50 50 KIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2542481 BDJKKDWTUVIMEL-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c(OC)c1 6162830 GAPAEVRDRIQEHT-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c(OC)c1 100613890 JDYYHQRRGGLMKQ-OKCVXOCRSA-N 593.662 4.228 50 50 KIGA CCOc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 239347328 MSTXHLPIQDVVNQ-JXYJOFSCSA-N 556.295 4.362 50 50 KIGA O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1cc(Cl)ccc1O 239412472 SSXJELBZSSLGOF-JYUSNPHGSA-N 562.686 4.322 50 50 KIGA COc1ccc(Br)cc1/C=N/NC(=O)CCCCC(=O)N/N=C/c1cc(Br)ccc1OC 4527687 CYJILDRCVOUVLQ-BKHCZYBLSA-N 568.266 4.390 50 50 KIGA COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 239439030 ZIXMUUAZIKUGQS-FZSDXNOGSA-N 576.285 4.023 50 50 KIGA COc1nn([C@@H](C)C(=O)N/N=C(\C)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1[N+](=O)[O-] 20311111 VQWJXVFUUFAMOY-SSGLAOATSA-N 506.563 4.451 50 50 KIGA CCOc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 239347329 MSTXHLPIQDVVNQ-VJQWSGFBSA-N 556.295 4.362 50 50 KIGA Cc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1[N+](=O)[O-] 239203333 SDUBDWYFLKQQRT-YZEAIEHJSA-N 571.266 4.180 50 50 KIGA C/C(=N\OCC(=O)N/N=C1/C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccc(Br)cc21)[C@H]1OC=CS1 245247789 XIDBVVMIKNQHIG-WIWCUFDGSA-N 599.511 4.149 50 50 KIGA C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2CCCC[C@H]2c2cccnc2)c2ccc(Br)cc21)[C@@H]1OC=CS1 252570824 XIDBVVMIKNQHIG-FQOQZQKBSA-N 599.511 4.149 50 50 KIGA Cc1ccc(NC(=O)CCCCCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 239203502 SMEOUXPURZGXBO-YEYGNOCGSA-N 526.269 4.272 50 50 KIGA C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2CCCC[C@@H]2c2cccnc2)c2ccc(Br)cc21)[C@H]1OC=CS1 252570826 XIDBVVMIKNQHIG-NHYPJBDBSA-N 599.511 4.149 50 50 KIGA COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2cccs2)c2cc(C)cc(C)c2)cc1OC 8424460 CWBSNPNUKKMXCB-XIEYBQDHSA-N 501.630 4.118 50 50 KIGA CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 29050413 OTIWAYTTYNFEKL-QFIPXVFZSA-N 539.658 4.279 50 50 KIGA in-vitro O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccc2c(c1)OCO2)c1ccncc1 1212826 AWOBBKVSUUTGKB-KIBLKLHPSA-N 547.159 4.318 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2OCC)cc1 4347072 SEFSPECIOGMDEE-JVWAILMASA-N 507.499 4.141 50 50 KIGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c([N+](=O)[O-])c1 3186621 LOOBXZFZSNRBMZ-OPEKNORGSA-N 500.508 4.475 50 50 KIGA O=C(CNC(=O)c1ccccc1I)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 4283625 IEGLSASVNZZKEB-UVHMKAGCSA-N 606.214 4.153 50 50 KIGA O=C(NNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 6229188 VANDIWZLLZAPMO-QFIPXVFZSA-N 550.691 4.129 50 50 KIGA COc1ccc(Br)cc1[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 8926351 VNGYTHJVEJPTHM-AZUAARDMSA-N 510.392 4.118 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1Cl 2518539 BMLZRCACNDJISP-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 2853666 QNPYBXVZXRCUEW-CQSZACIVSA-N 513.597 4.106 50 50 KIGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2Br)=C(C#N)[C@@H]1c1ccc(C)cc1 220954029 SWHARRLTXQKYMT-SFTDATJTSA-N 528.428 4.176 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(OC)c3OC)n2-c2ccc(OC)cc2)cc1 1258966 WECIDSTXFQEWAT-LQKURTRISA-N 533.610 4.211 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2542833 BTFUOHPZFZYUOF-XKJRVUDJSA-N 518.328 4.240 50 50 KIGA CCN(CC)C(=O)c1sc(NC(=S)NNC(=O)CSCc2ccccc2Br)c(C(=O)OC)c1C 59603134 FIAKNLIMEKCWFS-UHFFFAOYSA-N 587.587 4.339 50 50 KIGA C[C@@H]1CO[C@]2(O[C@@H]3C[C@@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@@H]5C(=O)[C@H](O)[C@]4(C)[C@@H]3[C@H]2C)[C@@H](Br)C1 257347605 MJCUKEIDOQBABA-LRMUTILNSA-N 525.524 4.317 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)/C=C/c1ccccc1 2543184 PKXCTILKUMHMIU-RWBSUTPSSA-N 507.546 4.347 50 50 KIGA Cn1c2ccccc2c2cc([C@@H]3C(C#N)=C(N)N(c4ccc(S(N)(=O)=O)cc4)C4=C3C(=O)CCC4)ccc21 2761937 FBOWPTZEPNEFAJ-HHHXNRCGSA-N 523.618 4.284 50 50 KIGA Cc1cc(Br)c(OCC(=O)N/N=C2\C(=O)N(C)c3c(Br)cc(C)cc32)c(Br)c1 101018334 DVCBFNFKTNODPD-JLPGSUDCSA-N 574.067 4.467 50 50 KIGA COc1cc(/C(C)=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1ccc(Cl)cc1 102268999 ORMSHIIZNYHFKZ-OKCVXOCRSA-N 558.986 4.295 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC 2531537 RKYZZGRRPDYHTL-CCVNUDIWSA-N 573.396 4.475 50 50 KIGA O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 2898076 NLGMZRIVOKASKK-BRJLIKDPSA-N 550.818 4.177 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)c1cccc(Br)c1 2521152 JQOBJEZFNNBYFK-MZJWZYIUSA-N 580.420 4.284 50 50 KIGA CC(=O)OC[C@H](COc1ccc(C(C)(C)c2ccc(OC[C@@H](CCl)OC(C)=O)cc2)cc1)OC(C)=O 219113337 HGHVYYKTOXUQNT-CLJLJLNGSA-N 521.006 4.435 50 50 KIGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 2518717 SCMZDPFOBWBBGY-DHRITJCHSA-N 500.736 4.411 50 50 KIGA COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 1474794 TUZTVNKCZCNTAC-LQKURTRISA-N 533.610 4.211 50 50 KIGA CCOCCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 13959896 NXQAZFZMQQWPQK-MJGOQNOKSA-N 512.602 4.202 50 50 KIGA COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2\C(=O)N(C)c3c(Br)cc(C)cc32)c1 105993016 ZQOIXFSLWXICPE-PIRRDQJDSA-N 577.435 4.043 50 50 KIGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(OC)cc1 639119 FSSOXJQPPIWJJF-PMACEKPBSA-N 553.946 4.477 50 50 KIGA CC1(C)[C@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN 3876646 AZZHMDRDRXEZHD-VWLOTQADSA-N 512.570 4.253 50 50 KIGA CCOC(=O)[C@H]([C@H](SC)c1ccc(OC(=O)c2ccccc2)cc1)N(O)C(=O)[C@@H](C)Br 5344823 ZTJWDCOIXCAEQR-MDASCCDHSA-N 510.406 4.243 50 50 KIGA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(Br)c(Cl)c1 239254654 YPBQVMMYUJXIIL-AJCKKNKHSA-N 512.423 4.385 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2OCC)cc1 4347155 PBFIPYPURNZDRU-RDRPBHBLSA-N 503.555 4.491 50 50 KIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 1208190 KNXPPGDGYKQKSJ-JVWAILMASA-N 503.584 4.203 50 50 KIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2542784 AWRHKWHLSTVANU-CCVNUDIWSA-N 508.372 4.165 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)cc3)cc2OC)cc1 4283182 LUYBUJYFBUUKFF-OKCVXOCRSA-N 523.973 4.237 50 50 KIGA O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1)c1ccccc1 239173903 OWUYUBSGXJSIGG-VWQYPGANSA-N 519.189 4.188 50 50 KIGA C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 239309947 HYUQDSFIEIZVID-JTINFKNASA-N 539.051 4.098 50 50 KIGA CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)[C@H](Br)[C@]12C 257347604 MIPHNLAZISJZFO-WFGZUINISA-N 511.453 4.262 50 50 KIGA CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccccc1F 1143089 RJUUNKKLTGHCGX-PMACEKPBSA-N 521.492 4.344 50 50 KIGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)N1 59586741 KARMXUKGIWBEKC-AREMUKBSSA-N 577.688 4.236 50 50 KIGA COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 239439178 ZNTMHFQXBHTUJA-GFBDQPOWSA-N 549.215 4.197 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1 2542971 KZYNPXSCOVBZHA-WKULSOCRSA-N 538.398 4.256 50 50 KIGA CCOc1cc(OCc2ccccc2Cl)ccc1/C=N/NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N 2520722 JZRIGPWWGFYLJD-FJEPWZHXSA-N 558.986 4.295 50 50 KIGA COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(OC)cc1 639116 FSSOXJQPPIWJJF-VQTJNVASSA-N 553.946 4.477 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Br)cc1 2506483 WDOLFXLTSDHBMQ-DHRITJCHSA-N 500.736 4.411 50 50 KIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 4330627 OOOOOLAIVWTIHF-MUFRIFMGSA-N 538.398 4.337 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1OC 2542694 URYFNAVYZROHEE-VFLNYLIXSA-N 530.364 4.110 50 50 KIGA O=C(N/N=C/c1cc(I)cc(I)c1O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 150351443 KNUFPCRNLDAWEA-VPMTWEOLSA-N 681.224 4.251 50 50 KIGA CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)[C@H](Br)[C@@]12C 257347601 MIPHNLAZISJZFO-DOFSFTTNSA-N 511.453 4.262 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1Cl 2530432 FUMMFNGSPQLZRV-DHRITJCHSA-N 500.736 4.411 50 50 KIGA COc1cc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)ccc1OC(=O)c1ccc(C)cc1 4231379 FMTDSPYSQRSKKK-LQKURTRISA-N 515.595 4.354 50 50 KIGA C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccc(OCc2c(F)cccc2Cl)cc1 102268973 QQVLLBMASBRCMU-FJEPWZHXSA-N 546.950 4.425 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 4229848 VUODVKMCUDZQIX-VULFUBBASA-N 550.394 4.276 50 50 KIGA CCN(CC)S(=O)(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)c1 59596557 DOTYJOAEZIJUPD-XMMPIXPASA-N 540.667 4.111 50 50 KIGA Cc1cc(Br)c(OCC(=O)N/N=C2\C(=O)N(C)c3c(C)cc(Br)cc32)c(Br)c1 1880592 BXDQYZFVSNBWDO-JLPGSUDCSA-N 574.067 4.467 50 50 KIGA Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)[C@@H](NC(=O)c1ccccc1)c1nnc(O)c2ccccc12 252680114 WCSUTFCGMDJJOZ-DEOSSOPVSA-N 539.983 4.104 50 50 KIGA COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)ccc1OCc1ccc(Cl)cc1Cl 12419422 OLUJIDZCQLWWJT-UVHMKAGCSA-N 511.369 4.385 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccccc2)cc(OC)c1OC 2347841 CETJIICPBVYAAY-RWPZCVJISA-N 521.574 4.342 50 50 KIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)c1 2531615 YWAKOZRIMTZDLY-CCVNUDIWSA-N 508.372 4.165 50 50 KIGA CCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1ccc(Cl)cc1 2520730 IMFFKLVWVYXGEW-FJEPWZHXSA-N 558.986 4.295 50 50 KIGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 4232010 BBXWVQRYYDURBK-FSJBWODESA-N 508.781 4.373 50 50 KIGA C=CCn1c(CNc2ccc(C)cc2)nnc1S[C@@H](C)C(=O)NN=C(C)c1ccc(OC)cc1OC 245240412 PZFWZCSCXPIQEL-IBGZPJMESA-N 508.648 4.423 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 4302546 HNNMPUPMKLLTSP-XODNFHPESA-N 544.789 4.210 50 50 KIGA C[C@@H]1CO[C@]2(O[C@@H]3C[C@@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@@H]5C(=O)[C@H](O)[C@]4(C)[C@@H]3[C@@H]2C)[C@@H](Br)C1 257347607 MJCUKEIDOQBABA-UHIBUPKJSA-N 525.524 4.317 50 50 KIGA COc1ccc(/C=N/NC(=O)[C@]2(C)CC2(Br)Br)cc1COc1ccc(C#N)cc1 2090672 BSFGJAGGKPYBBX-XPVFAOKESA-N 521.209 4.492 50 50 KIGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)OC2)[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 12377313 VGDHEBAJSJZZTB-NDEPHWFRSA-N 512.928 4.289 50 50 KIGA COC(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@H](NC(=O)OC)C(C)(C)C)C(C)(C)C 202695626 AXRYRYVKAWYZBR-IQLXHWPESA-N 704.869 4.212 50 50 KIGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 4282090 DHKHCGDSYLTIHX-RDRPBHBLSA-N 531.638 4.065 50 50 KIGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)OC2)[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 12375503 CCENYZUAJOXWJK-MUUNZHRXSA-N 512.928 4.289 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4258941 ZKFFRTKZEVNWQN-OGLMXYFKSA-N 518.595 4.119 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2OC)cc1 4335830 KUGFDAWGSAXTDM-JVWAILMASA-N 507.499 4.141 50 50 KIGA CCN(CC)C(=O)c1sc(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)c(C(=O)OC)c1C 2858438 QYLQRJPLDBXCLA-UHFFFAOYSA-N 522.718 4.287 50 50 KIGA O=C(CNC(=O)c1ccccc1I)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 4295922 HZQUIAXUMBEMRG-IPPBACCNSA-N 567.362 4.163 50 50 KIGA CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCSSCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C 575409778 CCFAWYUYTADKFF-UHFFFAOYSA-N 851.128 4.031 50 50 KIGA O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 4260018 OSLBLTRYQSLISZ-BRJLIKDPSA-N 515.751 4.149 50 50 KIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1 4330888 RIIONODSVIJAJM-ZCTHSVRISA-N 517.582 4.364 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc(Br)c1 2521233 WMNBPHWVSWSGAM-XODNFHPESA-N 544.789 4.210 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2)cc1OC 2531611 JVFYYALTFYCGOV-VULFUBBASA-N 513.344 4.215 50 50 KIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 2543033 AXGDVACWCZVDSE-DHRITJCHSA-N 500.736 4.411 50 50 KIGA Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(Br)cn2)C2=C1C(=O)CC(C)(C)C2 1422955 UBDVBRSWNKYZCU-RUZDIDTESA-N 504.388 4.200 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 4259281 LBNQCENZJVNENV-VULFUBBASA-N 550.394 4.276 50 50 KIGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 4327592 NHBZHNFHEINJHS-DPNNOFEESA-N 539.519 4.144 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3I)cc2OCC)cc1 4355124 ZARPXNILZNUIDA-OKCVXOCRSA-N 615.424 4.188 50 50 KIGA COc1ccccc1C(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 239412331 SOKITHGWRIOTPG-GFBDQPOWSA-N 549.215 4.197 50 50 KIGA Cc1cccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 239305861 GCHZAJKRQMZEAF-XMFPSASZSA-N 526.269 4.126 50 50 KIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 4372907 DKFQPJXMGXMLHR-PVLQNKMRSA-N 559.316 4.336 50 50 KIGA C=CCSc1nnc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(F)cc43)C3=C2CC(C)(C)CC3=O)s1 12402240 QLPKLSZNSBDQID-XMMPIXPASA-N 508.604 4.002 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccc(Cl)cc1 2518577 AFNVQTWUDPXIKY-DHRITJCHSA-N 500.736 4.411 50 50 KIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc(Br)c2)cc1 2520287 FMZKQPQPVDPXEI-CVKSISIWSA-N 509.360 4.189 50 50 KIGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1 4230225 ZSXBGJVVMXRQDT-STBIYBPSSA-N 552.056 4.410 50 50 KIGA COC(=O)c1c(NC(=S)NNC(=O)C2CCN(Cc3ccc(F)cc3Cl)CC2)sc2c1CCC2 16346973 BLNVCCUEKZYKFW-UHFFFAOYSA-N 525.071 4.046 50 50 KIGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)N1 59586734 KARMXUKGIWBEKC-SANMLTNESA-N 577.688 4.236 50 50 KIGA O=C(Nc1ccccc1)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 239309569 HSDSDSHAIYTICT-VWQYPGANSA-N 518.205 4.221 50 50 KIGA COc1ccccc1C(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 239412333 SOKITHGWRIOTPG-XVMGYKCHSA-N 549.215 4.197 50 50 KIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 4347194 RKKCSNLGDZPXIT-MUFRIFMGSA-N 538.398 4.337 50 50 KIGA CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccccc1F 1143092 RJUUNKKLTGHCGX-VQTJNVASSA-N 521.492 4.344 50 50 KIGA CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 5023180 FZHFJIODNQYXRK-NRFANRHFSA-N 501.536 4.490 50 50 KIGA biogenic,in-vitro COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1cccc(Br)c1 2521195 IANIBVCDVJJQCG-MZJWZYIUSA-N 543.370 4.467 50 50 KIGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccc(C)cc1 220953273 WUJCTKCCYSALQZ-UXHICEINSA-N 504.395 4.412 50 50 KIGA O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 73258019 OHPHJCOGCSDKKA-NTFVMDSBSA-N 552.996 4.293 50 50 KIGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cc(Cl)c(OCC(=O)OC)c(Cl)c1 679590 XIFCRGHMUHCXNT-IBGZPJMESA-N 503.338 4.327 50 50 KIGA COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)c1[N+](=O)[O-] 150423374 NRTXTLOPROUOKL-QPJQQBGISA-N 624.036 4.345 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(O)c(OC)c3)n2-c2ccc(C)cc2)cc1 1474454 VSXITZUJXGQTQD-RWPZCVJISA-N 533.610 4.217 50 50 KIGA CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)ccc1O 1475073 WBJIMRKTDURHIV-LQKURTRISA-N 533.610 4.298 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nnc(C)n3-c3ccccc3)cc2)cc1 4231383 YISILQZFGPGGQV-JVWAILMASA-N 501.568 4.046 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3C)cc2OCC)cc1 4327378 SFKDUZCLFIAXPK-FDAWAROLSA-N 517.582 4.282 50 50 KIGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(OCCN3CCOCC3)c(OCC)c2)s1 20562580 BJPYRRMTFGBBDZ-HMMYKYKNSA-N 527.643 4.143 50 50 KIGA COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)c1O 59826556 BYDHAFRQQPEPFY-CGOBSMCZSA-N 581.999 4.126 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2OC)cc1 4292333 GZHUNKWFZHZTQF-RDRPBHBLSA-N 503.555 4.491 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])cc2OC)cc1 4327113 YGCRQYYPVVRRIV-AKBIMGJMSA-N 507.499 4.139 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cc2OCC)cc1 4335783 SUGPGQUFYJCAQF-RDRPBHBLSA-N 519.554 4.191 50 50 KIGA CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CC)c3ccccc32)cc1 245326845 MEEKBIJHKYETHA-LPWWTZAISA-N 509.610 4.191 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)c1ccc(Cl)cc1 2519953 RMOPZTSKFOBCOE-MZJWZYIUSA-N 535.969 4.175 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1OC 2531567 HXHKUCOUNXBGKS-VFLNYLIXSA-N 574.815 4.219 50 50 KIGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1 4258883 XFMBVOUABSEWFZ-XEWRIECCSA-N 510.319 4.296 50 50 KIGA COc1cc(C(=O)NCC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc(OC)c1OC 4282686 RTKCJHKCNWEOBC-MHDJOFBISA-N 545.567 4.464 50 50 KIGA O=C(NNc1nc(-c2ccc3c(c2)OCO3)cc(=O)n1-c1ccccc1)c1ccc(Br)cc1 25575955 QEHDERJHSMFHMF-UHFFFAOYSA-N 505.328 4.148 50 50 KIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 4210521 YXWSQGAPVXXOTB-OKCVXOCRSA-N 524.606 4.449 50 50 KIGA C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 239174387 PYCGDVYMTKSUMD-SXNOLOHBSA-N 572.603 4.464 50 50 KIGA CCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 239433166 XHMNNMCZBVOOBZ-CRCHGLNGSA-N 513.226 4.455 50 50 KIGA C[C@H]1C[C@@](O)(CO[Si](C)(C)C(C)(C)C)[C@@H](C#N)C[C@@H]1C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 216542939 JFYZEKZPDZTLCP-FRFPLYAASA-N 524.800 4.292 50 50 KIGA Cc1c(NC(=O)CN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)ccc(Br)c1Cl 245380724 IQZVDUONLNMOQN-BANCJSOYSA-N 583.502 4.127 50 50 KIGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccc(Br)cc2Br)c1 1800495 QPZNKBGLPYSEMX-UHFFFAOYSA-N 514.214 4.249 50 50 KIGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccc(Br)c4)ccc32)cc1 1857800774 NTRHSCYSFLXZKS-JOCHJYFZSA-N 541.379 4.222 50 50 KIGA CCOC(=O)C1=NO[C@H](Cc2c(/C=N/NC(=O)c3sc4nc(C)cc(COC)c4c3-n3cccc3)c(OC)c3c(c2OC)OCO3)C1 150411803 AZARGHKBFAZIOK-IYDBASLASA-N 663.709 4.302 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC(C)=O)c(OC)c3)n2-c2ccccc2)cc1 863869 XWCHSOPPOPVLJB-LQKURTRISA-N 531.594 4.119 50 50 KIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 1835182 YSDIHQDLIYUOCQ-FOKLQQMPSA-N 504.659 4.407 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1OC 4302929 UBNUVTMPSSGSSS-VFLNYLIXSA-N 619.266 4.328 50 50 KIGA CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)[C@H](Br)[C@]12C 257347602 MIPHNLAZISJZFO-IXXKNVMDSA-N 511.453 4.262 50 50 KIGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(OC)cc4)c32)cc(Br)c1OC(=O)N1CCOCC1 718429 BRXTWJIAWTYNRS-NRFANRHFSA-N 596.438 4.296 50 50 KIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccccc1I 4335822 JOXIIHYPSUAWOE-XODNFHPESA-N 620.241 4.461 50 50 KIGA C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 239309945 HYUQDSFIEIZVID-BSOAVKSWSA-N 539.051 4.098 50 50 KIGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 4232155 OSFWAQVFLONFQZ-FSJBWODESA-N 508.781 4.373 50 50 KIGA CCOc1ccc(/C=N\NC(=O)CCCCCC(=O)N/N=C/c2ccc(OCC)c(OC)c2)cc1OC 33709201 BLYPNWXNWPYDEM-SVJPUMPYSA-N 512.607 4.052 50 50 KIGA Cc1ccccc1NC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 239159567 MJGYSADTZJSDJM-MRMRDUCNSA-N 526.269 4.126 50 50 KIGA N#CC1=C(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)NC(=O)C[C@@H]1c1ccccc1F 59586602 WGYFHEMBSGRAFA-GOSISDBHSA-N 563.076 4.364 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C(=O)O)n2-c2ccc(C)cc2)cc1 1474456 DZCGTSNZZAKHAD-JFLMPSFJSA-N 501.568 4.192 50 50 KIGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 4282928 ACGMKGQOIYACOE-CVKSISIWSA-N 509.360 4.189 50 50 KIGA COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)ccc1O 8564975 WJAVBHXUFGREJA-OGLMXYFKSA-N 533.610 4.298 50 50 KIGA O=C(Nc1ccccc1)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 239174634 QIMHZLSMQJAKQU-VWQYPGANSA-N 518.205 4.221 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC 2531639 YECOLXDXMRUCIA-LGJNPRDNSA-N 558.341 4.123 50 50 KIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1145766 BIXLFAJOOIKGRG-LJQANCHMSA-N 559.320 4.037 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Br)cc1 2506365 GTRFCSCHJCRMFP-DHRITJCHSA-N 500.736 4.411 50 50 KIGA CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1 150396442 AUABTJWGSMWKOO-IURWMYGYSA-N 666.424 4.451 50 50 KIGA COc1cc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c(Br)c(Br)c1O 100567536 OXKBWVVTEAGHQM-KIEOKQDQSA-N 536.176 4.369 50 50 KIGA CCOC(=O)C1=NO[C@@H](Cc2c(/C=N/NC(=O)c3sc4nc(C)cc(COC)c4c3-n3cccc3)c(OC)c3c(c2OC)OCO3)C1 150411807 AZARGHKBFAZIOK-UGMWNZOASA-N 663.709 4.302 50 50 KIGA COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C 3941496 AXRYRYVKAWYZBR-GASGPIRDSA-N 704.869 4.212 50 50 KIGA fda O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2570282 BEJKIKSAMQDRTJ-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/C=N/NC(=O)COc1c(C)cc(Br)cc1C 18102115 PWMUHLSIXXONCE-GQBJSJAWSA-N 568.266 4.107 50 50 KIGA O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(Br)c(Cl)c1 239254655 YPBQVMMYUJXIIL-ZNOWBECESA-N 512.423 4.385 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1OC 2543775 DVGAGZJMFFJRLS-VFLNYLIXSA-N 530.364 4.110 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)sc2c1CC[C@H](C)C2 4326833 LQLDMBSXVMPRHU-RWUXAASISA-N 593.658 4.375 50 50 KIGA COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 239439181 ZNTMHFQXBHTUJA-YEYGNOCGSA-N 549.215 4.197 50 50 KIGA N#CC1=C(N)N(c2nnc(SCc3ccccc3)s2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 12376574 FTCWQQWQLYSBDL-SANMLTNESA-N 512.620 4.241 50 50 KIGA Cc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c(C)c1 239038696 DRMRVZKNJFFMTQ-IZSQIBBJSA-N 540.296 4.435 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC(C)=O)c(OC)c3)n2-c2ccc(C)cc2)cc1 1474466 AMIPWYWMLRGVGA-MUFRIFMGSA-N 545.621 4.428 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 4283552 BNODVNDNJCPQRS-DHRITJCHSA-N 528.315 4.114 50 50 KIGA C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 239309949 HYUQDSFIEIZVID-LWOKPCTCSA-N 539.051 4.098 50 50 KIGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(OC)cc1 4283351 DCGZPIROQFZYED-AKBIMGJMSA-N 507.499 4.139 50 50 KIGA CCCSc1nnc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)C3=C2CCCC3=O)s1 12411402 IAWSIIMPFFRBMS-HSZRJFAPSA-N 513.048 4.413 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1OC 4302399 NVKMNRLKXIEIDV-BIZUNTBRSA-N 572.618 4.074 50 50 KIGA CC(C)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 245310054 GXUZBJYDBLMWLS-RJCFJXPSSA-N 546.687 4.471 50 50 KIGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 1240990 UIIGSMBLQHTBGA-LQKURTRISA-N 515.595 4.280 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)c1ccc(C)cc1 2506456 UKUVMPGWAKIMGO-WKULSOCRSA-N 516.579 4.124 50 50 KIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 2530440 HOCZOWSNLNLNLP-KNZXSQEYSA-N 506.356 4.465 50 50 KIGA O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1)c1cccs1 239235264 VQZRLGNMYZHDBJ-SPGVSREJSA-N 525.218 4.250 50 50 KIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 4295591 FNOBGQXCWLPQQS-CCVNUDIWSA-N 508.372 4.165 50 50 KIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 2544057 JTPWAGFNSMJXNK-IPPBACCNSA-N 514.365 4.491 50 50 KIGA C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)c(OCC=C)c1 59646142 RSDIUXTXDXJNQH-TWKHWXDSSA-N 565.648 4.179 50 50 KIGA O=C(NNS(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 263639862 MKPCSKQQLPNBSS-UHFFFAOYSA-N 587.289 4.488 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)ccc1OC(=O)c1cccc(Br)c1 2544414 WIXAOQUJWQKEPS-XODNFHPESA-N 589.240 4.320 50 50 KIGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 59602972 XDTRMQMUASDNKM-OAHLLOKOSA-N 527.624 4.029 50 50 KIGA CCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 252427798 GOSGOQGKGXYLID-KKFZBWNWSA-N 513.226 4.316 50 50 KIGA COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc(OC)c1OC(C)=O 1303385 GJRBGUIYWBTJEM-MUFRIFMGSA-N 545.621 4.428 50 50 KIGA C[C@@H]1CO[C@]2(O[C@@H]3C[C@@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@@H]5C(=O)[C@H](O)[C@]4(C)[C@@H]3[C@H]2C)[C@H](Br)C1 257347608 MJCUKEIDOQBABA-WQCWUVNNSA-N 525.524 4.317 50 50 KIGA O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1 43202741 SEGYOKHGGFKMCX-UHFFFAOYSA-N 520.494 4.199 50 50 KIGA biogenic,in-vitro COc1cccc(C(=O)Oc2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)c2)c1 239030875 CMNKQEALFWYTSZ-PJBUMPDVSA-N 549.215 4.197 50 50 KIGA aggregator O=C(Cc1ccccc1)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 230016801 AOTISEAPCODZOJ-VJQWSGFBSA-N 533.216 4.117 50 50 KIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)c1 2532216 YHYIJVBBTDSOPY-CCVNUDIWSA-N 508.372 4.165 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2OCC)cc1 4326726 YPDWLTSRDPOZCF-RDRPBHBLSA-N 503.555 4.491 50 50 KIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 4302820 FKARREGBPBNQIL-BIZUNTBRSA-N 547.608 4.372 50 50 KIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 3113536 GOBOJXUIQYSXSZ-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 1474474 PDDIFXKAIMUUGK-CVKSISIWSA-N 502.556 4.402 50 50 KIGA Cc1cc(Br)c(OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c(Br)c1 2981644 WBJZBOKKUNKMCL-UHFFFAOYSA-N 546.013 4.134 50 50 KIGA O=C(OC[C@H]1O[C@H](Br)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 101146287 JRRCGOOKGUSEFK-LUKWVAJMSA-N 525.351 4.414 50 50 KIGA COC(=O)[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](OCc2ccc(OC)cc2)[C@H](OC)O1 169836522 UPAKAELFZGOQQM-MZMMNKLXSA-N 564.751 4.462 50 50 KIGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1 1474780 MFWOZLYMZQZQAM-LQKURTRISA-N 533.610 4.211 50 50 KIGA O=C(NNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(COc2ccc(Cl)cc2Cl)o1 2853264 FBAODJJZUWXAEB-UHFFFAOYSA-N 593.474 4.388 50 50 KIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(F)cc43)C3=C2CC(C)(C)CC3=O)s1 12401668 BPVLAXWKHQYQIG-DEOSSOPVSA-N 510.620 4.225 50 50 KIGA CSCC[C@@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 14943660 ZRAPAYYXMDMJAG-IBSUQTTCSA-N 518.466 4.042 50 50 KIGA Cc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 239203501 SMEOUXPURZGXBO-XVMGYKCHSA-N 526.269 4.272 50 50 KIGA C=C(C)Cn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 2385203 XNDIJYAQOSPPNZ-FOKLQQMPSA-N 515.393 4.434 50 50 KIGA O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4282730 OSLYPLBYZAELDI-LQKURTRISA-N 521.982 4.141 50 50 KIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 4287345 KWKHDFKBNRNPFK-OKCVXOCRSA-N 523.973 4.237 50 50 KIGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 4347482 CPOLXWPIGWNYQH-UVHMKAGCSA-N 606.214 4.153 50 50 KIGA C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccc(OCc2ccc(Cl)cc2)cc1 102269004 OSAYFDUCLVYYCR-MUFRIFMGSA-N 528.960 4.286 50 50 KIGA COc1cc(C(=O)NNC(=O)c2ccc(C)c(NC(=O)c3ccc(Br)cc3)c2)cc(OC)c1OC 1875303693 JEMGEAUHRZAYOM-UHFFFAOYSA-N 542.386 4.110 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2532143 MZRXZTHNARJBGV-XODNFHPESA-N 500.338 4.101 50 50 KIGA Cc1c(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)ccc(Br)c1Cl 245380725 IQZVDUONLNMOQN-IDNXRVBGSA-N 583.502 4.127 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1OC 4302790 WQFGNYHIMAOSKO-MZJWZYIUSA-N 540.370 4.083 50 50 KIGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)cc1OC 2542901 UTVGJHLQHFDNIS-MZJWZYIUSA-N 543.370 4.467 50 50 KIGA CCN(CC)C(=O)c1sc(NC(=S)NNC(=O)c2oc3ccccc3c2C)c(C(=O)OC)c1C 2855747 LQJWLEICZBPTII-UHFFFAOYSA-N 502.618 4.011 50 50 KIGA COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccc(C)cc2)cc1 1474558 IJLLKSUHBHACKL-CVKSISIWSA-N 502.556 4.402 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1OC 2531625 QRPKKKWQVMRNGJ-RPPGKUMJSA-N 527.327 4.178 50 50 KIGA COc1cc(/C=N/NC(=O)C2=NO[C@H](c3c(Br)c(OC)c4c(c3Br)OCO4)[C@@H]2C)cc(OC)c1OC 150400435 XCQLMTDRGMMIPM-FNDFOIFHSA-N 629.258 4.188 50 50 KIGA Cc1ccccc1NC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 239159568 MJGYSADTZJSDJM-MUAQZKLTSA-N 526.269 4.126 50 50 KIGA CCOC(=O)c1ccc(N2[C@H](c3ccc(Cl)cc3)[C@@H]3C(=O)OC(=O)[C@H]3C23C(=O)c2ccccc2C3=O)cc1 245256526 QLWOWCRPVGTMTE-XPWALMASSA-N 529.932 4.212 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)sc2c1CC[C@@H](C)C2 4230308 UDBMGFJSIWLUPC-OEZLLYBRSA-N 533.606 4.358 50 50 KIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc(OC)c1OC 4372589 YZHMDDAIRSAWDZ-VULFUBBASA-N 560.344 4.300 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2OC)cc1OC 731400 QKTKMHXRXBVXPJ-MZJWZYIUSA-N 543.370 4.223 50 50 KIGA O=C(N/N=C\c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1)C(=O)N/N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 150632111 NJJVENRNXRIDTP-ZAYSQSOWSA-N 750.822 4.322 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)n2-c2ccc(OC)cc2)cc1 102289792 NLKVCVKFAGCMJU-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1OC 2531381 XGJHKTNXTZWHAR-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccccc1Cl 2542850 DGNJICFOLRNPCQ-XODNFHPESA-N 544.789 4.210 50 50 KIGA Cc1ccccc1NC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 239159569 MJGYSADTZJSDJM-VFUBHANSSA-N 526.269 4.126 50 50 KIGA O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(F)cc1 239235597 WHGRXPIGAAXOCX-DNLMCPORSA-N 530.232 4.103 50 50 KIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 4372904 DKFQPJXMGXMLHR-CAUYNWHBSA-N 559.316 4.336 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC(C)=O)c(OC)c3)n2-c2ccc(OC)cc2)cc1 100858355 MFCKONRMIJMGMA-OKCVXOCRSA-N 591.646 4.136 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 2543879 OGDUTVHUZPSJNY-MZJWZYIUSA-N 580.420 4.284 50 50 KIGA O=C(CI)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 4556614 UATCLPJEZJKNHE-UHFFFAOYSA-N 515.259 4.039 50 50 KIGA CCCCCCCC(=O)N/N=C/c1cc(I)cc(I)c1O 102991743 BGWJZYUFJNDJBP-VCHYOVAHSA-N 514.145 4.412 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)cc2OC)cc1 4282581 BWDAHGWFIZXVKC-STBIYBPSSA-N 574.055 4.175 50 50 KIGA 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](Cc1c[nH]c2ccccc12)C(=O)O 253486915 BASSDWFKLNVCFK-PHWYCABASA-N 683.799 4.342 50 50 KIGA C=CCSc1nnc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(F)cc43)C3=C2CC(C)(C)CC3=O)s1 12402241 QLPKLSZNSBDQID-DEOSSOPVSA-N 508.604 4.002 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 4259746 FIPZAXDLMKZIIQ-CVKSISIWSA-N 510.344 4.156 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 4282783 GVMVFIQQDLZCKZ-XODNFHPESA-N 500.338 4.101 50 50 KIGA N#CC1=C(N)N(c2nnc(SCc3ccccc3)s2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 12376573 FTCWQQWQLYSBDL-AREMUKBSSA-N 512.620 4.241 50 50 KIGA CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c1O 1475083 XQYZUYVAYDYUPJ-LQKURTRISA-N 533.610 4.298 50 50 KIGA O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2542642 CHHYRUBZMUBVGA-UVHMKAGCSA-N 547.780 4.404 50 50 KIGA C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 20158351 QTPZXHCMKMKOTC-VPUKRXIYSA-N 508.350 4.449 50 50 KIGA O=C(CN(c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(/C=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 150387845 SANKSWDAEDAWQZ-DNJOOXRZSA-N 798.816 4.194 50 50 KIGA C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 239025612 BWUKSGVBUJEPIT-CXBPWFIQSA-N 576.285 4.371 50 50 KIGA 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(-c2ccccc2)cc1 239038637 DOTRBXSHNQVDTM-PIOOAKDLSA-N 589.280 4.248 50 50 KIGA O=[n+]1c(CBr)c(CBr)n(O)c2c1[C@H](Br)CC[C@@H]2Br 136851203 RJKMNTSZFSMIAA-NTSWFWBYSA-N 510.826 4.096 50 50 KIGA COc1ccc(/C=N/NC(=O)Cn2nc(C)c(Br)c2C)cc1COc1ccc([N+](=O)[O-])c(C)c1 654510 VHUALWZTMKEEDP-OPEKNORGSA-N 530.379 4.217 50 50 KIGA Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1 1429250 NXKBQIBTWGXUMD-UHFFFAOYSA-N 500.423 4.056 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 2543764 YEFIVOYJVOEVQM-VULFUBBASA-N 510.344 4.074 50 50 KIGA COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc(OC)c1OC 4296154 KMCDBELPMZSBOV-VVEOGCPPSA-N 604.841 4.228 50 50 KIGA C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 239174386 PYCGDVYMTKSUMD-OJSVFPPUSA-N 572.603 4.464 50 50 KIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)CC(=O)N/N=C/c1cc(Br)ccc1OCC=C 4527754 MRWDXMOKCWIUBL-CIOBDNPFSA-N 578.261 4.332 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)n2-c2ccccc2)cc1OC 675736 IEKZDAYHUACDSC-OGLMXYFKSA-N 516.627 4.260 50 50 KIGA O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N/N=C/c1c2ccccc2cc2ccccc12 53339423 WDBWBPNZPANVGF-RDRPBHBLSA-N 565.493 4.212 50 50 KIGA O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4260827 KISGRZZYKMWOCV-BRJLIKDPSA-N 515.751 4.149 50 50 KIGA O=C(NNS(=O)(=O)c1ccc(I)cc1)c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1 263639961 PWQBPLIFHZEVFX-UHFFFAOYSA-N 563.295 4.121 50 50 KIGA O=C(N/N=C\c1cc(Br)cc(I)c1O)c1ccc(Br)cc1 59826524 IKQJTLHFLZLNDW-WSVATBPTSA-N 523.950 4.286 50 50 KIGA C=C[Si@]1(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si@](C)(C=C)O1 1857795409 BTSUMWRSCQGUHW-TYHGNQNSSA-N 568.926 4.174 50 50 KIGA O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccccc21)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 245253781 PQTDNWIXCMTGRA-GJVVQIRSSA-N 558.594 4.296 50 50 KIGA Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CC(C)(C)C2 12462558 GQWCEVQDGNXWCB-VWLOTQADSA-N 506.657 4.394 50 50 KIGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)c1 2544203 TUCUFZHCFVAKFR-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)cc2)c1 239121313 JSFRJPSKBGTYKR-YRYYUTHUSA-N 549.215 4.197 50 50 KIGA COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccc(C)cc1 220953391 WUJCTKCCYSALQZ-WOJBJXKFSA-N 504.395 4.412 50 50 KIGA CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 100867664 FZHFJIODNQYXRK-OAQYLSRUSA-N 501.536 4.490 50 50 KIGA O=C(/C=C/C(=O)OCCOc1ccccc1OCCBr)OCCOc1ccccc1OCCBr 100058106 HBIJEXKUYDILFO-MDZDMXLPSA-N 602.272 4.334 50 50 KIGA COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4ccccc4C)c3N2)cc1 2794756 KVSZISNOGGXEHX-OALUTQOASA-N 504.538 4.492 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 4330938 GYQCGZILCKFMQB-JVWAILMASA-N 507.499 4.141 50 50 KIGA COc1ccc(/C=N/NC(=O)c2c(CN3CCCC3)nnn2-c2nonc2N)cc1COc1c(Cl)cc(Cl)cc1Cl 102269044 BLLLRDXYVWZSMH-KNBZMSCYSA-N 620.885 4.140 50 50 KIGA O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccccn1)c1ccc2c(c1)OCO2 1212849 VTLIVZGREDDOFH-KIBLKLHPSA-N 547.159 4.318 50 50 KIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl 2531163 PCVMTFNIZHRSBG-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C2/C(=O)N(C)c3ccc([N+](=O)[O-])cc32)c1Br 100311806 CYICPHXRPGIOBB-NCELDCMTSA-N 568.222 4.427 50 50 KIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Br)cc1 2518525 DYUCPWMGQQFFKQ-DHRITJCHSA-N 500.736 4.411 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)sc2c1CCCC2 4260985 DJSHNLKDUYKNPX-WKULSOCRSA-N 537.569 4.251 50 50 KIGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@](O)(C(=O)CBr)[C@]4(C)CC(=O)[C@@]32Br)C1 257348043 AVRCFKGYMAJDIJ-OLOIFBPZSA-N 548.312 4.352 50 50 KIGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccc(OC)cc2)cc1 4330587 UVQGVEZLUNLUPM-FDAWAROLSA-N 511.582 4.217 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 4261326 JDKFQPRLTNIEIE-OGLMXYFKSA-N 544.029 4.167 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3C)cc2OC)cc1 4296216 SPMWPOWXKZBJHT-FDAWAROLSA-N 517.582 4.282 50 50 KIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2570264 UEMKUOGYDVUXRO-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 2531270 ULZADVMWGAHXNV-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl 2543787 AXHCXMXIWIEHQM-KVSWJAHQSA-N 532.753 4.341 50 50 KIGA O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4258930 OBTVJSSDZUWWLW-LQKURTRISA-N 521.982 4.141 50 50 KIGA CCc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(Cc4ccccc4F)c4ccccc43)C3=C2COC3=O)cc1 12413351 UEBKNWYHGGYKQR-SSEXGKCCSA-N 506.537 4.198 50 50 KIGA COc1cc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 20228548 DHBCHOTYRFNYBW-JVNZONBISA-N 504.539 4.194 50 50 KIGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc2c(c1)OCO2 1228234 VRVOEDBOHFDMNB-LUOAPIJWSA-N 517.321 4.479 50 50 KIGA CCOC(=O)c1c(NC(=S)NNC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)sc(C)c1-c1ccccc1 2855922 JTZSEGZPYYCCFH-AWEZNQCLSA-N 527.624 4.414 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1 4296363 XHRZJFAAPXEOMT-DPNNOFEESA-N 555.587 4.355 50 50 KIGA C/C(=N/NC(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1)c1cccc(NC(=O)C2CCCC2)c1 8455705 RXNGPXYWHCHXHO-WGARJPEWSA-N 543.378 4.478 50 50 KIGA COc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccccc1 4231892 QHJLAPKRPYUMHO-VUTHCHCSSA-N 529.574 4.479 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)sc2c1CCCC2 4355187 WVBOBPOOJBAGPR-MUFRIFMGSA-N 533.606 4.420 50 50 KIGA COc1nn([C@@H](C)C(=O)N/N=C(\C)c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2)cc1[N+](=O)[O-] 8456086 DTNIPQLEPSAJEX-SOQMIUECSA-N 542.980 4.269 50 50 KIGA Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2)c1CN1CCCc2ccccc21 102278244 GVPRJZUCRCOYKH-AEUUOICLSA-N 621.702 4.071 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 2544084 MXOSGTKKHVQAIO-JFLMPSFJSA-N 524.371 4.464 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 1307299 UIYPCCPYOCVBOO-LQKURTRISA-N 533.610 4.211 50 50 KIGA COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc(OC)c1OC(C)=O 1241335 JTQQAEVXHAKMHN-LQKURTRISA-N 531.594 4.119 50 50 KIGA COc1ccc(-c2n[nH]c3c2[C@H](c2cc(I)cc(I)c2O)C(C#N)=C(N)O3)cc1 8437636 BBXPZOLKHGKSNN-OAHLLOKOSA-N 612.165 4.218 50 50 KIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)c1ccc(OC)cc1 2543858 FWYFPSKNHHWFLR-OKCVXOCRSA-N 546.605 4.214 50 50 KIGA C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(C(=O)OC)cc2)nnc1-c1ccc(Br)cc1 2385197 PYPOWVJRDYPLRF-BRJLIKDPSA-N 528.432 4.313 50 50 KIGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)sc2c1CCCC2 2506436 LJFPJUBNWSMHAN-CCVNUDIWSA-N 506.971 4.460 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)ccc3OC)n2-c2ccc(OC)cc2)cc1 1253280 SEPPFSUDHFLPDD-LQKURTRISA-N 533.610 4.211 50 50 KIGA O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 2519978 GKQRIRROIGPBKK-KVSWJAHQSA-N 523.332 4.441 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 4229963 CQBNXMRMOZMZRO-CVKSISIWSA-N 510.344 4.156 50 50 KIGA COC(=O)c1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)cc1 2896270 OUXCYCJLWBINHE-ODCIPOBUSA-N 549.013 4.290 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)sc2c1CC[C@@H](C)C2 4283051 SXFDMEOFEIVXRZ-BPDRYHAWSA-N 551.596 4.497 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1 4329710 ZDSDQXOMGRXZMJ-LQKURTRISA-N 509.946 4.445 50 50 KIGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(OC)c1OC 694925 GIGJMTYIIWNTST-JVWAILMASA-N 503.584 4.203 50 50 KIGA CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cccc(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccccc1F 1143095 RJUUNKKLTGHCGX-WOJBJXKFSA-N 521.492 4.344 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3cccs3)n2-c2ccccc2)cc(OC)c1OC 2350060 PVXHDSSAHNRLOL-AFUMVMLFSA-N 509.613 4.264 50 50 KIGA COc1cc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c(Br)c(Br)c1O 100567532 OXKBWVVTEAGHQM-XEXHFRJUSA-N 536.176 4.369 50 50 KIGA 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)NCCc1ccc(O)cc1 253487097 DUNUCUVGOJIKIR-XUWBOQTGSA-N 616.752 4.113 50 50 KIGA Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 4259337 IADQGFJAAUZEND-MUFRIFMGSA-N 505.571 4.295 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1OC 4302917 MACKFOCGWKRRGJ-CCVNUDIWSA-N 610.446 4.293 50 50 KIGA C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21)c1ccc(Cl)c(Cl)c1Cl 102278358 UQJXOAIMGRMSCX-NVJOKUIPSA-N 560.833 4.300 50 50 KIGA O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 2542995 JGBQXZBADXNCQY-UVHMKAGCSA-N 561.763 4.044 50 50 KIGA Cc1ccccc1OC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 239235699 WMWZOLIDOXWGGQ-ZRDGSSAWSA-N 527.253 4.093 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1cccc(Br)c1 2521679 HVBHHZNFKZSSFA-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(OC)c3O)n2-c2ccc(C)cc2)cc1 1474496 BHYVCOZUHOJONT-JFLMPSFJSA-N 503.584 4.208 50 50 KIGA COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc(OC)c1OC 4355630 GDKUIIVDIOASJI-XZYGTATASA-N 611.607 4.031 50 50 KIGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 2532013 OLQRCNXQGOMYJM-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA O=C(CI)Nc1c(O)ccc2c1Oc1cc(O)ccc1[C@@]21OC(=O)c2ccccc21 117250671 YEPIGKFMXQOFJS-JOCHJYFZSA-N 515.259 4.039 50 50 KIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520356 YOWHEPLAHDAPDC-JVWAILMASA-N 521.371 4.355 50 50 KIGA O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1O 239412473 SSXJELBZSSLGOF-MVXJNQHVSA-N 562.686 4.322 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(C)cc3)cc2OC)cc1 4335631 FRDPTFBRBUSCKO-FDAWAROLSA-N 517.582 4.282 50 50 KIGA O=[n+]1c(CBr)c(CBr)n(O)c2c1[C@H](Br)CC[C@H]2Br 136851098 RJKMNTSZFSMIAA-PHDIDXHHSA-N 510.826 4.096 50 50 KIGA C[C@]1(C(=O)NNC(=O)[C@@H]2[C@H](C(=O)O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)CC1(Br)Br 239164916 NDYLNOCOQCPARK-LCKUSENNSA-N 642.770 4.192 50 50 KIGA CCCCCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1 252427801 GOSGOQGKGXYLID-ZXLDYLNASA-N 513.226 4.316 50 50 KIGA COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4ccccc4C)c3N2)cc1 2794754 KVSZISNOGGXEHX-MOPGFXCFSA-N 504.538 4.492 50 50 KIGA 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(-c2ccccc2)cc1 239038638 DOTRBXSHNQVDTM-XKTNGNEZSA-N 589.280 4.248 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)sc2c1CC[C@H](C)C2 2520233 MJJIDDSFGULGMJ-FYDYWCEBSA-N 539.635 4.419 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)c1ccc(Cl)cc1 2520103 SLROPLYULNMMFI-IPPBACCNSA-N 536.997 4.469 50 50 KIGA COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2cc(Br)c(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)c1 2841015 ADGSPLVXTYJMHO-IBGZPJMESA-N 541.358 4.008 50 50 KIGA CC1=CC(=O)/C(=C(/C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C[C@H](O)[C@]23C)C(=O)O1 253504025 KSBWHZNIKJEVNH-SMCAWUEPSA-N 556.744 4.318 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)c1ccccc1 102267043 GWNBMGBHWVIMRI-ZCTHSVRISA-N 542.592 4.066 50 50 KIGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 2520298 SMWFUCCOZKVLIK-VULFUBBASA-N 509.360 4.107 50 50 KIGA COc1ccccc1/C=N/NC(=O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1 1195986 SPGZOCSTHAECEL-VUTHCHCSSA-N 500.580 4.250 50 50 KIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)c(OC)c1 2521211 AMFKZOJOUQCRAM-VULFUBBASA-N 513.344 4.215 50 50 KIGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2566900 YFCCFQRLJURSCM-UVHMKAGCSA-N 559.214 4.311 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C(\C)c3ccco3)n2-c2ccccc2)cc(OC)c1OC 8837214 MZVLGIYNXWNTBS-WGOQTCKBSA-N 507.572 4.186 50 50 KIGA CCOC(=O)N/N=C(/C)[C@@]1(O)[C@H](OC(C)=O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253499242 DHSSQAPJYULMBQ-LDWBUHSHSA-N 518.651 4.276 50 50 KIGA biogenic Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 4293192 SLMIKAOMZTVAQP-HNSNBQBZSA-N 535.556 4.314 50 50 KIGA O=C(N/N=C/c1ccc(F)cc1)C1=NO[C@@H](CN(CCNc2ncc(C(F)(F)F)cc2Cl)S(=O)(=O)c2ccc(F)cc2)C1 150352432 YXNIGENYUQHUAD-ALZFIWTCSA-N 645.010 4.430 50 50 KIGA Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)c2)cc1 239174124 PHTUQDYKGDCERD-ZKXGSZBFSA-N 575.253 4.317 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)n2-c2ccccc2)cc1OC 100559072 BQEWBDXZXFFBPC-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA COc1ccc(/C=N/NC(=O)c2ccc(O[C@@H]3OCCO[C@@H]3Oc3ccc(C(=O)N/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 102941995 ZIGPMYTUCVLRRD-JIDORBFDSA-N 624.650 4.388 50 50 KIGA COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(F)c2)cc(OC)c1OC 150353368 GTFHQOWZMPWVCK-KLPHOBTLSA-N 667.282 4.476 50 50 KIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 409415667 WHAUSSRFLXDDPB-RUZDIDTESA-N 525.569 4.486 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 2544292 DDGAOJZKFQXKPA-MZJWZYIUSA-N 543.370 4.467 50 50 KIGA CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 71788211 XBMRVOHLFIZDDV-NRFANRHFSA-N 501.536 4.490 50 50 KIGA in-vitro COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)c(OC)c3)n2-c2ccc(C)cc2)cc1 1474480 ZWLSEPRBYUVJBG-JFLMPSFJSA-N 503.584 4.208 50 50 KIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)c1 4282708 UZSXCKZJRIWTNG-WPRBOHTRSA-N 520.383 4.256 50 50 KIGA COc1cc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc(OC)c1OC 4347160 ZQSCQJZFULGYQU-VVEOGCPPSA-N 560.390 4.119 50 50 KIGA CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1F 1142494 PCQGTJLVARGNTR-PMACEKPBSA-N 532.391 4.088 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2543011 YNXBQIXJASDNTN-VFLNYLIXSA-N 514.365 4.410 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(F)cc3)cc2OCC)cc1 4326924 LGQMFRACXLHWRE-KBVAKVRCSA-N 521.545 4.113 50 50 KIGA COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC(C)=O)c(OC)c3)nnc2-c2ccc(C)cc2)cc1 100858371 IXVCUUCMZPMHTH-OKCVXOCRSA-N 575.647 4.436 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)ccc3OC)n2-c2ccccc2)cc1 1308240 MKVUYQGGHUJKIA-JVWAILMASA-N 503.584 4.203 50 50 KIGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 3113446 OKTLXJVADYSZNM-AFUMVMLFSA-N 514.319 4.348 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1OC(=O)c1ccccc1 4259778 RENXLVHSKGGWDV-ZCTHSVRISA-N 536.544 4.256 50 50 KIGA Cc1cccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)c3ccccc32)c1 102298389 YDHCWKHVMFENHH-BFYITVNDSA-N 531.572 4.367 50 50 KIGA CCOC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1F 1142496 PCQGTJLVARGNTR-UXHICEINSA-N 532.391 4.088 50 50 KIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C 2391588 AUQXMWSEKBYFSQ-VULFUBBASA-N 510.344 4.074 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)sc2c1CC[C@H](C)C2 2520427 SXFDMEOFEIVXRZ-YGBXPQNZSA-N 551.596 4.497 50 50 KIGA CCc1cc(Br)ccc1NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 239046874 FXXUMEZLXSAOQL-YULKNUEKSA-N 577.111 4.118 50 50 KIGA COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)cc1OC 1472182 DDVAJZAMRXVLCX-HSZRJFAPSA-N 522.399 4.397 50 50 KIGA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)c2)cc1 239439059 ZJMFEKMJDDAULA-ZRNYENFQSA-N 579.241 4.161 50 50 KIGA O=C(N/N=C/c1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1)c1cccc(I)c1 150451394 ZHLIHMXIWFFUEG-BKHCZYBLSA-N 622.204 4.424 50 50 KIGA CC(C)(C)[Si](OC[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@H]13)[C@@H]2I)(c1ccccc1)c1ccccc1 169836466 MRQSOQLDUWWOGH-PTROGCMSSA-N 532.494 4.174 50 50 KIGA O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1cc(Cl)ccc1O 239412474 SSXJELBZSSLGOF-VNUXUXBQSA-N 562.686 4.322 50 50 KIGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 2542765 LMWNCHYMDONGDZ-VULFUBBASA-N 505.943 4.167 50 50 KIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc(OC)c1OC 4258793 WKTBIBUITOJRBE-VULFUBBASA-N 513.344 4.458 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1OC 2531434 NJWKISLHERRTBP-VFLNYLIXSA-N 574.815 4.219 50 50 KIGA CC(C)(C)[Si](C)(C)OC1[C@H]2OC3(CO)OC([C@H]2OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O3 216538022 PRYNFDJQFAFJFT-HYJCVNKISA-N 514.691 4.390 50 50 KIGA O=C(COCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 2325809690 YKWPFAMNCUFWFJ-ZXHXELASSA-N 550.615 4.462 50 50 KIGA COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4ccc(C)cc4)c3N2)cc1 2794680 YYTAKJNGLKTUCL-RTBURBONSA-N 504.538 4.492 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 4355698 IPQMHEJDMVUGCY-FABQOPTDSA-N 585.613 4.364 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 25782494 GXGZAHOVVZUYIY-NDZAJKAJSA-N 512.566 4.057 50 50 KIGA COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 263585261 GUZNBJVWGXUUJC-GHDADLFOSA-N 535.442 4.003 50 50 KIGA biogenic COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 2543854 DMLKRUIBVBATNJ-DHRITJCHSA-N 528.315 4.114 50 50 KIGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1 694900 UMYYBEUNTJEKEJ-LQKURTRISA-N 533.610 4.211 50 50 KIGA CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C(CCCC3=O)N2)cc1 13174412 YWFYBZPFLQDVPH-RUZDIDTESA-N 501.564 4.419 50 50 KIGA Cc1ccc(NC(=O)CCCCCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 239203499 SMEOUXPURZGXBO-GFBDQPOWSA-N 526.269 4.272 50 50 KIGA O=C(CC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 334162897 GLIHZOYQCUFAQC-CIOBDNPFSA-N 530.453 4.014 50 50 KIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 100613965 UKAHOIPDHGNBMA-OKCVXOCRSA-N 593.662 4.228 50 50 KIGA CCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 239402562 QUKAOSSKAAGYFM-CRCHGLNGSA-N 513.226 4.455 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1 2531143 OKUKULRJJJCVRY-VULFUBBASA-N 513.344 4.458 50 50 KIGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)c1 2544212 UWMROHSIMIICEY-VULFUBBASA-N 510.344 4.074 50 50 KIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc(OC)c1OC 4372522 WZUIBWBMBGLMQG-VULFUBBASA-N 513.344 4.458 50 50 KIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c1 4210895 OSZDYEFTLWTXDH-WKULSOCRSA-N 516.399 4.490 50 50 KIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc(OC)c1OC 731249 OTFLQIKNQNXIND-VULFUBBASA-N 513.344 4.458 50 50 KIGA Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cc(Br)c(C)o2)c2ccccc2F)cc1 2972864 QGPMBJNVZDDNKR-WYMPLXKRSA-N 508.369 4.144 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 2544296 GMHSYNYMEJYBRZ-CVKSISIWSA-N 510.344 4.156 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2OC)cc1 4283448 UEADYEKTHAGYOR-LQKURTRISA-N 509.946 4.445 50 50 KIGA CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 2520754 APSZRHQWDPWXJX-VPUKRXIYSA-N 592.875 4.377 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2)cc1OC 2531101 DMEWJWUMBUYEGU-VULFUBBASA-N 513.344 4.215 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2OCC)cc1 4330565 QPHBONRYYMTJDV-STBIYBPSSA-N 507.518 4.321 50 50 KIGA COc1cc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCC[C@H]2C)ccc1OCc1ccc(Cl)c(Cl)c1 102278694 OAPGEQLYSNAPKT-WTSWVKJSSA-N 614.494 4.265 50 50 KIGA Cc1ccccc1OC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 239235698 WMWZOLIDOXWGGQ-UBZHQMDQSA-N 527.253 4.093 50 50 KIGA O=C(COc1ccc2ccccc2c1)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21 15018487 CZWIXJVNNFGAMY-UHFFFAOYSA-N 503.150 4.216 50 50 KIGA COc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 169618777 RYIVNTVNSJJKNS-RDGPPVDQSA-N 579.241 4.161 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2OC)cc1 4230198 JTTZRMBVSVEVJP-STBIYBPSSA-N 507.518 4.321 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CC(=O)N/N=C/c3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1 4527657 REAZHWPPEUPBMG-UHQZYLKYSA-N 668.659 4.150 50 50 KIGA COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1OC(C)=O 863853 LHXXMXVXWZTZJR-LQKURTRISA-N 515.595 4.419 50 50 KIGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)c1 2544154 YIHMJWVTEOQMHO-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2531133 GRNXVKGHIIELFY-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA Cc1ccc(-c2c(C(=O)NNC(=S)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)csc2C)cc1 2856034 KFCXNRXDUVPVSU-UHFFFAOYSA-N 538.680 4.254 50 50 KIGA CC1(C)[C@@H](N(O)C(=O)Nc2cccc3ccccc23)N(c2cccc3ccccc23)C(=O)N1CC(=O)NN 3876647 AZZHMDRDRXEZHD-RUZDIDTESA-N 512.570 4.253 50 50 KIGA CCO[C@H]1O[C@H](CI)[C@H]2O[C@@H](c3ccc(OC)cc3)OC[C@@]12OCOCC[Si](C)(C)C 169834602 RXIBICZNLVZWGO-AANPDWTMSA-N 566.505 4.373 50 50 KIGA O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1cc(Cl)ccc1O 239412475 SSXJELBZSSLGOF-WITHRNOMSA-N 562.686 4.322 50 50 KIGA CCOc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccc(I)cc2)=C1C#N 1142742 PLSMHELRFXBGAN-QGZVFWFLSA-N 533.391 4.400 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 2544015 ZYIFFFDLBYUWRU-XODNFHPESA-N 544.789 4.210 50 50 KIGA c1ccc([Si](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 169816091 IVZTVZJLMIHPEY-UHFFFAOYSA-N 534.807 4.337 50 50 KIGA in-vitro O=C(Cc1ccccc1)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 239235932 XAGXBRKUABBQJO-JXYJOFSCSA-N 533.216 4.117 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 2570278 WZKOKPYCWAGIFI-XODNFHPESA-N 500.338 4.101 50 50 KIGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 4230020 PFGLAHKCDVDVBF-BRJLIKDPSA-N 544.749 4.352 50 50 KIGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 4354105 CSIAZEBGZOVRAW-PVLQNKMRSA-N 512.316 4.494 50 50 KIGA COc1ccc(Nc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2S(=O)(=O)C(F)F)cc1 1206807 YQEXWEDRTPJWLA-DHRITJCHSA-N 504.471 4.107 50 50 KIGA Cc1cc(Br)c(C(C)C)c(OCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c1Br 108936512 XJKNOLYVHWRKGU-UHFFFAOYSA-N 554.195 4.403 50 50 KIGA COC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)c2)cc1 226388236 NQXRNVDSYGCHJJ-RDGPPVDQSA-N 565.214 4.119 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)sc2c1CC[C@@H](C)C2 4326832 LQLDMBSXVMPRHU-UIUUPTCRSA-N 593.658 4.375 50 50 KIGA COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 100995640 JRIPAIAKQLDVEO-SFQUDFHCSA-N 532.603 4.327 50 50 KIGA CCOC(=O)N/N=C(/C)[C@@]1(O)[C@H](OC(C)=O)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 253499244 DHSSQAPJYULMBQ-VZEHFYSISA-N 518.651 4.276 50 50 KIGA biogenic CC(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)[C@H](Br)[C@@]12C 257347603 MIPHNLAZISJZFO-UYDOBLHSSA-N 511.453 4.262 50 50 KIGA O=C(NNS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1)c1cc(-c2ccccc2)nn1-c1ccccc1 2325879491 XFJNMJMYVRZSRP-UHFFFAOYSA-N 519.583 4.425 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 25584214 MYZKQVCJJQMOBS-LQKURTRISA-N 505.596 4.471 50 50 KIGA COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc(OC)c1O 8781163 USZJRJCOXHUXGM-QSIYUGDWSA-N 522.989 4.050 50 50 KIGA CN(C)N1C(N)=C(C#N)[C@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)C2=C1CC(C)(C)CC2=O 12402269 OMPUXTDSNXOMCV-NDEPHWFRSA-N 502.018 4.254 50 50 KIGA CCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 239433168 XHMNNMCZBVOOBZ-JMCDZUJHSA-N 513.226 4.455 50 50 KIGA COc1ccc(Br)cc1S(=O)(=O)N1CCN(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1 230556036 GXWJFUQYAZHPNA-UHFFFAOYSA-N 617.682 4.341 50 50 KIGA N#C/C(=C\NC1CCCCC1)S(=O)(=O)C(=CNC1CCCCC1)S(=O)(=O)/C(C#N)=C/NC1CCCCC1 105523291 GIYBZGSNDXHYIQ-SIHVKLMXSA-N 549.763 4.112 50 50 KIGA COc1cc(OCc2cccc3ccccc23)cc(Br)c1/C=N/NC(=O)c1c(CN2CCCC2)nnn1-c1nonc1N 150628847 SRMZWHJDGLHDFC-VWJSQJICSA-N 646.506 4.096 50 50 KIGA COC(=O)N[C@H](C(=O)N[C@H](Cc1ccccc1)[C@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C 169305254 AXRYRYVKAWYZBR-SEVDZJIVSA-N 704.869 4.212 50 50 KIGA COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2Br)=C(C#N)[C@H]1c1ccc(C)cc1 220954219 SWHARRLTXQKYMT-NHCUHLMSSA-N 528.428 4.176 50 50 KIGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(OC)cc1 4283353 DCGZPIROQFZYED-DCMOEJRUSA-N 507.499 4.139 50 50 KIGA COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)nnc2-c2ccc(C)cc2)cc1 1477646 MESGWOSNKSZLDV-JFLMPSFJSA-N 501.568 4.192 50 50 KIGA CCOc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2521821 ZEVVVKASIKQQBA-MZJWZYIUSA-N 550.420 4.040 50 50 KIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(C)cc4)cc3)cc2)cc1 2325809598 NDKJOIMCPWBKJK-CQFWSYKGSA-N 606.635 4.359 50 50 KIGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(Br)cc4)ccc32)cc1 1775977265 SLWBLPNIYCICJU-JOCHJYFZSA-N 541.379 4.222 50 50 KIGA O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 4335706 NMPKNVNFYFHDOW-UVHMKAGCSA-N 606.214 4.153 50 50 KIGA CCn1c(SCC(=O)N/N=C/c2cc(I)cc(I)c2O)nc2ccccc21 5358958 LJOCAXAPPIJXGX-ZVBGSRNCSA-N 606.227 4.213 50 50 KIGA COc1ccc(/C=N/NC(=O)c2ccc(O[C@H]3OCCO[C@@H]3Oc3ccc(C(=O)N/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 102959750 ZIGPMYTUCVLRRD-CFEPFWQUSA-N 624.650 4.388 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccccc3O)n2-c2ccccc2)cc1OC 8564993 YMEXQXVBSRBFHU-WPWMEQJKSA-N 503.584 4.290 50 50 KIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 102307782 PDLUMKATKKJVKL-LQKURTRISA-N 523.578 4.155 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OCc1ccccc1 25540141 PDWDUUBAJJYHSS-ZCTHSVRISA-N 528.609 4.426 50 50 KIGA CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@](O)(C(=O)CBr)[C@]4(C)CC(=O)[C@@]32Br)C1 257348044 AVRCFKGYMAJDIJ-OSEUIIPYSA-N 548.312 4.352 50 50 KIGA O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1)c1cccs1 239174157 PJYKVEFVBMYUHC-HZMAYWFUSA-N 525.218 4.250 50 50 KIGA COC1=CC2=C(C=O)C[C@@H]3[C@@H]4CC[C@@]5(OCO[C@]56COCO6)[C@@]4(C)C[C@@H](OC(=O)C(F)(F)F)[C@H]3[C@@]2(C)CC1 253498919 AZUQQHPTAMFSRK-FANBXXDCSA-N 542.547 4.186 50 50 KIGA biogenic CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cc2OC)cc1 4296190 XYKCFAOXWPVOLU-RDRPBHBLSA-N 519.554 4.191 50 50 KIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 4329931 MUNXZWLGNLPTOO-CAUYNWHBSA-N 512.316 4.494 50 50 KIGA C=C(C)Cn1c(SCC(=O)N/N=C/c2cccc(OC)c2O)nnc1-c1ccc(Br)cc1 2522015 VCLXAEOIKNVPPN-BHGWPJFGSA-N 516.421 4.240 50 50 KIGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)c1 2544443 KZVBRHJVNSFTJJ-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Cl 2566794 TXIRXZLULIHBQU-XODNFHPESA-N 500.338 4.101 50 50 KIGA Cc1ccc(S(=O)(=O)/N=C(/CCl)N2[C@@H](C)CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)cc1 245253740 MBJLQWGHXZIFAS-SJWSHXFESA-N 512.097 4.007 50 50 KIGA COc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)c2)cc1 169618773 ZJMFEKMJDDAULA-YRPNKDGESA-N 579.241 4.161 50 50 KIGA Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1 239119617 IYBXYRNDEYCVQH-BQAIHONLSA-N 575.253 4.317 50 50 KIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 2532290 VTADCBZXINLCSQ-DHRITJCHSA-N 512.316 4.414 50 50 KIGA CC(=O)Oc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)cc1 32666310 FAFHSTADDRCVKJ-USHMODERSA-N 505.596 4.217 50 50 KIGA COc1cc(C=NNC(=O)[C@@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc(Br)c1O 238882188 CRACOWSRGGTVCB-OAHLLOKOSA-N 521.371 4.252 50 50 KIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 4329933 MUNXZWLGNLPTOO-PVLQNKMRSA-N 512.316 4.494 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1 4360078 XCUWRJPPONUFHK-RDRPBHBLSA-N 519.554 4.191 50 50 KIGA COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1C#N 833306 TUGFLUQHLJUPSM-KKMKTNMSSA-N 510.392 4.107 50 50 KIGA CC1=CC(=O)/C(=C(/C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@@H]4C[C@H](O)[C@]23C)C(=O)O1 253504018 KSBWHZNIKJEVNH-RNANQQJQSA-N 556.744 4.318 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccco3)n2-c2ccccc2)cc(OC)c1OC 2311681 NJPPFUBMRLXGFW-ZRBLEXLRSA-N 519.583 4.461 50 50 KIGA COC(=O)Cc1[nH]nc2c1[C@H](c1ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c1)C(C#N)=C(N)O2 12371392 HDYURAWXVLXJID-OAQYLSRUSA-N 515.353 4.238 50 50 KIGA O=C(N/N=C/c1c(Sc2nc3ccccc3s2)nc2ccccn2c1=O)c1cccc([N+](=O)[O-])c1 19912297 BWNTYROUTMGYOB-ZMOGYAJESA-N 502.537 4.128 50 50 KIGA COC1=CC2=C(C=O)C[C@@H]3[C@@H]4CC[C@@]5(OCO[C@]56COCO6)[C@@]4(C)C[C@H](OC(=O)C(F)(F)F)[C@H]3[C@@]2(C)CC1 253498924 AZUQQHPTAMFSRK-UVEBJVLLSA-N 542.547 4.186 50 50 KIGA biogenic COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1OC 2544478 TWSXNKSLVMKRFH-KPGMTVGESA-N 529.524 4.095 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3coc4ccccc4c3=O)n2-c2ccccc2)cc(OC)c1OC 2869809 NIGBGRVBCSMUNK-FJEPWZHXSA-N 571.615 4.309 50 50 KIGA COc1nn([C@H](C)C(=O)N/N=C(\C)c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2)cc1[N+](=O)[O-] 8456085 DTNIPQLEPSAJEX-JBUWZOIISA-N 542.980 4.269 50 50 KIGA CCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 239402564 QUKAOSSKAAGYFM-JMCDZUJHSA-N 513.226 4.455 50 50 KIGA O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2521099 NSVJOTRMJVVUHP-RPPGKUMJSA-N 540.812 4.295 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2OC)cc1 4303100 FQLHQYXVFNOEAT-RDRPBHBLSA-N 503.555 4.491 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nnc(C)n3-c3ccccc3)cc2OC)cc1 102303932 GBOBSWULJMLOBV-LQKURTRISA-N 531.594 4.055 50 50 KIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 2542983 DIZOBQLOGUTJDP-VULFUBBASA-N 550.394 4.276 50 50 KIGA COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1cccc(Br)c1 2569209 LBXVVNQAEQVJRH-DHRITJCHSA-N 528.315 4.114 50 50 KIGA N#CC1=C(N)N(c2cccc(F)c2)C2=C(C(=O)OC2)[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 12375508 HBJZEPJBEDFIAU-NDEPHWFRSA-N 512.928 4.289 50 50 KIGA C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc21)c1cccs1 245228002 VNYAXOWYUCAKBH-NHQMONGTSA-N 507.660 4.214 50 50 KIGA COc1ccc(/C=N/NC(=O)c2ccc(COc3ccc(I)cc3)o2)cc1Cn1cc([N+](=O)[O-])cn1 8454799 BMTRRSDINVLVGZ-KBKYJPHKSA-N 601.357 4.389 50 50 KIGA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)C3=C(CCCC3=O)N2)c1 2849636 AHWQEEIUWGTPMX-XMMPIXPASA-N 549.580 4.200 50 50 KIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 4296233 KGAVJKRXTZOITR-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA Cc1ccccc1OC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 239235696 WMWZOLIDOXWGGQ-FUQKJMROSA-N 527.253 4.093 50 50 KIGA COc1ccccc1C(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 239412334 SOKITHGWRIOTPG-YEYGNOCGSA-N 549.215 4.197 50 50 KIGA COc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1Br 995768 XTUIDJMKEOUFCO-UZLBHIALSA-N 510.392 4.118 50 50 KIGA O=C(CC(=O)N/N=C/c1cc(Br)cc(Br)c1O)N/N=C/c1cc(Br)cc(Br)c1O 4527763 YNYAWKKMXHWPCG-RLPPIGNGSA-N 655.923 4.138 50 50 KIGA O=C(O)COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2321039 JLNIRVXSLWSNSG-MZJWZYIUSA-N 521.986 4.294 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2OC)cc1 4354886 MJHGKKRXDCWZCE-STBIYBPSSA-N 559.604 4.311 50 50 KIGA COC1=CC2=C(C=O)C[C@@H]3[C@@H]4CC[C@@]5(OCO[C@]56COCO6)[C@@]4(C)C[C@@H](OC(=O)C(F)(F)F)[C@@H]3[C@@]2(C)CC1 253498920 AZUQQHPTAMFSRK-QPQSBLSESA-N 542.547 4.186 50 50 KIGA biogenic COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1OC 2531318 TXHWOTCSFMCEIH-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)cc1 2531644 ORMCYNUALUQKJY-MZJWZYIUSA-N 543.370 4.223 50 50 KIGA Cc1c(NS(=O)(=O)c2cc(C(=O)NNc3ccc(C(F)(F)F)cn3)ccc2Cl)c(=O)n(-c2ccccc2)n1C 1875350617 UVABZPZZTDFNPJ-UHFFFAOYSA-N 580.976 4.109 50 50 KIGA C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)NNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 59603272 QPOCNTQIHMKPGQ-HXUWFJFHSA-N 590.731 4.388 50 50 KIGA CCOC(=O)c1c(NC(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2)sc2c1CCCC2 2374511 IVKUSDXLPFVQOP-QGZVFWFLSA-N 540.623 4.422 50 50 KIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccc(Br)c4)ccc32)cc1OC 1857800912 QVYKMFZJRMLEHL-QHCPKHFHSA-N 543.395 4.452 50 50 KIGA C[C@@H]1CO[C@]2(O[C@@H]3C[C@@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@@H]5C(=O)[C@H](O)[C@]4(C)[C@@H]3[C@@H]2C)[C@H](Br)C1 257347606 MJCUKEIDOQBABA-QNMKVTKWSA-N 525.524 4.317 50 50 KIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C 994598 BGTYTCSYSCHXNA-RUZDIDTESA-N 525.569 4.486 50 50 KIGA Cc1cc(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)c(C)cc1Br 239310213 IFWNZUBVPWZXCW-WBENQTIBSA-N 577.111 4.171 50 50 KIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2544521 OUDNODKPICEFMB-IPPBACCNSA-N 514.365 4.491 50 50 KIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)cc1 2543964 KBPUCBGMSPSMIB-JFLMPSFJSA-N 540.370 4.164 50 50 KIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 3116162 ZVPSDEHSDHIZFR-UVHMKAGCSA-N 561.763 4.044 50 50 KIGA COc1ccc(Br)cc1[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 16034223 VNGYTHJVEJPTHM-QUCCMNQESA-N 510.392 4.118 50 50 KIGA COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2cc(Br)c(OC(C)=O)c(OC)c2)C(C#N)=C(N)O3)c1 2841014 ADGSPLVXTYJMHO-LJQANCHMSA-N 541.358 4.008 50 50 KIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 4335797 QFXCVKVPPFTNBX-RWPZCVJISA-N 510.388 4.307 50 50 KIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2I)c1 4292423 RRSBKQTWTCBITI-XODNFHPESA-N 620.241 4.461 50 50 KIGA C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 239025614 BWUKSGVBUJEPIT-JAACQLHSSA-N 576.285 4.371 50 50 KIGA CCOc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)cc1 4283402 NEAHOLMXJNZBKL-LQKURTRISA-N 508.527 4.103 50 50 KIGA O=S(=O)(Sc1cccc(I)c1)c1cccc(I)c1 334161946 HRHASJLXVSXDNH-UHFFFAOYSA-N 502.136 4.377 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)C(=O)Nc1ccc(Cl)cc1 4230237 WSRBOLBSNWTOGV-DHRITJCHSA-N 547.736 4.253 50 50 KIGA Cc1c(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)ccc(Br)c1Cl 245380727 IQZVDUONLNMOQN-XOKVJCJLSA-N 583.502 4.127 50 50 KIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1 4347493 KTKFHFQSDLXCEY-OKCVXOCRSA-N 568.424 4.346 50 50 KIGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 59602974 XDTRMQMUASDNKM-HNNXBMFYSA-N 527.624 4.029 50 50 KIGA CCC(=O)Oc1c(C(=O)c2ccccc2)c(=O)c(=O)c1=P(c1ccccc1)(c1ccccc1)c1ccccc1 100330983 LBQKYQBBUDVBPH-UHFFFAOYSA-N 532.532 4.355 50 50 KIGA Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc(I)cc2)C(Cl)Cl)cc1 100727719 RWVISMGKQNXELQ-OAHLLOKOSA-N 508.212 4.446 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2529713 FBWIEQAXYKBEEI-KKMKTNMSSA-N 504.301 4.449 50 50 KIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)cc1 2544079 XLLLVLJKYCWAJD-RWPZCVJISA-N 554.397 4.337 50 50 KIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc1 4330341 CIPRPSJJTSDHQS-CVKSISIWSA-N 541.345 4.162 50 50 KIGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 8448758 XVBJAZWECVSEOD-XFTSGTMQSA-N 537.326 4.007 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(O)cc3)n2-c2ccccc2)cc(OC)c1OC 8564963 CADYLGLFJRTWLN-OGLMXYFKSA-N 533.610 4.298 50 50 KIGA O=C(NN=Cc1cc(Br)cc(I)c1O)N/N=C/c1cc(Br)cc(I)c1O 250733271 GAVYAYBUPBJGMP-RTHHJEJESA-N 707.886 4.499 50 50 KIGA COC(=O)[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](OCc2ccc(OC)cc2)[C@H](OC)O1 169836519 UPAKAELFZGOQQM-PUCLRWMGSA-N 564.751 4.462 50 50 KIGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c1 1254864 UZQFBFWVPDTMBG-LQKURTRISA-N 533.610 4.211 50 50 KIGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(C)cc1 4259069 FUPQTKLQBNHTDD-VULFUBBASA-N 509.360 4.107 50 50 KIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2I)ccc1OC(=O)c1ccc(Cl)cc1 4355600 VGQLCJLGWZROAX-IPPBACCNSA-N 605.816 4.443 50 50 KIGA 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](Cc1c[nH]c2ccccc12)C(=O)O 150361132 BASSDWFKLNVCFK-MAGGCPBXSA-N 683.799 4.342 50 50 KIGA biogenic O=C(Nc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1)c1ccccc1 239030816 CJFQDENFHFBRCK-KSCVBYKOSA-N 518.205 4.221 50 50 KIGA CC(C)C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 245310055 GXUZBJYDBLMWLS-TVLLWILJSA-N 546.687 4.471 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)/C=C/c1ccccc1 2543236 JZFHRCOBHSTIBE-PHGNHDHESA-N 522.355 4.165 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1 4302824 LJBFEFMTKLBFPL-HNSNBQBZSA-N 551.555 4.014 50 50 KIGA O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1I 2898308 INYOMAYSTMVUKU-CNHKJKLMSA-N 523.950 4.286 50 50 KIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 3209691 LYGNUXZCDDQWBU-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(F)cc2)cc1 2543919 KYRFMJBFAJSLTP-LGJNPRDNSA-N 501.308 4.345 50 50 KIGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)sc2c1CCCC2 4210068 ZQIMVHMCRMAYOZ-CCVNUDIWSA-N 598.422 4.411 50 50 KIGA O=C(COc1ccc(Cl)cc1Br)N/N=C/C=N/NC(=O)COc1ccc(Cl)cc1Br 100428871 WSTUVZZUGSXTAF-QVKIOAGYSA-N 581.048 4.180 50 50 KIGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)c1 3113415 FNALCJINMJBBRU-AFUMVMLFSA-N 514.319 4.348 50 50 KIGA COc1cccc(C(=O)Oc2cccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@H]3Br)c2)c1 239030876 CMNKQEALFWYTSZ-YRYYUTHUSA-N 549.215 4.197 50 50 KIGA aggregator COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1OC 2544219 MSRMHUPBIGQEII-OCSSWDANSA-N 511.534 4.473 50 50 KIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 4229713 HPJPHYBTVWQQAY-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA CCOC(=O)c1sc(NC(=S)NNC(=O)CSCc2ccccc2Br)c(C(=O)OCC)c1C 59602971 DBLYXWWFWSXOSU-UHFFFAOYSA-N 574.544 4.423 50 50 KIGA O=C(COCC(=O)N/N=C/c1ccccc1OCc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 2325809544 HNZIAHYTZXMFLV-ZXHXELASSA-N 550.615 4.462 50 50 KIGA Cc1sc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)cc1CN1CCOCC1 12372402 YWSRYHSGLWWWRN-XMMPIXPASA-N 505.600 4.102 50 50 KIGA COc1ccc(/C=N/NC(=O)c2ccc(COc3ccc(I)cc3)cc2)cc1Cn1cnc([N+](=O)[O-])n1 101130301 BLLDBRNBXYHEDT-XODNFHPESA-N 612.384 4.191 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2542909 BYWQFTDDMUTMQG-VFLNYLIXSA-N 514.365 4.410 50 50 KIGA COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OC)C(C)(C)C)C(C)(C)C 150349471 AXRYRYVKAWYZBR-MLMSKLGMSA-N 704.869 4.212 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3I)cc2)cc1 4326732 DGKDRQQVTHWETE-MUFRIFMGSA-N 585.398 4.179 50 50 KIGA COO[C@](OC)([C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)C[C@@H]1O)C(c1ccccc1)(c1ccccc1)c1ccccc1 150349215 UUBWKPGYPWDWSR-JIEQNZJTSA-N 639.709 4.318 50 50 KIGA O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1)c1cccs1 239174158 PJYKVEFVBMYUHC-SPGVSREJSA-N 525.218 4.250 50 50 KIGA CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 253486992 CABHISDNAQUMTE-NQPHQUMASA-N 688.815 4.045 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC)cc3OC)n2-c2ccccc2)cc1 1474925 RAHBZVGLAMIWCR-LQKURTRISA-N 533.610 4.211 50 50 KIGA C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O 239025613 BWUKSGVBUJEPIT-GKRFIZMWSA-N 576.285 4.371 50 50 KIGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)cc1 2585031 CXRGRYBOLWULMV-VULFUBBASA-N 513.344 4.458 50 50 KIGA O=C(O)COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 1474756 CMWSDHAXCAXGNP-MZJWZYIUSA-N 521.986 4.294 50 50 KIGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)sc2c1CCCC2 4229845 DNZQUQJSZWBQHY-CCVNUDIWSA-N 506.971 4.460 50 50 KIGA CCc1cc(Br)ccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 239046870 FXXUMEZLXSAOQL-OOLZNYFQSA-N 577.111 4.118 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1 2543826 QRVOFQDESRIOSR-XODNFHPESA-N 544.789 4.210 50 50 KIGA COO[C@@](OC)([C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)C[C@@H]1O)C(c1ccccc1)(c1ccccc1)c1ccccc1 150349216 UUBWKPGYPWDWSR-BBFBYKIMSA-N 639.709 4.318 50 50 KIGA CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 150361764 CABHISDNAQUMTE-ZJWNLNDTSA-N 688.815 4.045 50 50 KIGA biogenic Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C/c1cn(Cc2ccc(Br)cc2)nc1-c1ccc(Cl)cc1 150621240 GQLJUYVNDGJKOF-HIWRWHBISA-N 664.956 4.310 50 50 KIGA COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)Nc3c(C)cc(Br)cc32)c1 1210353 DSTSWWPOCSANJF-BKUYFWCQSA-N 563.408 4.018 50 50 KIGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1 2544074 XVXLYSIVJNKLBQ-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OC(=O)c1cccc(Br)c1 2544429 ZJXFQDNQIAQANF-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA O=C(N/N=C/c1ccc(Br)cc1)c1cccc(C(=O)N/N=C/c2ccc(Br)cc2)n1 2990468 NJMTZTLHBJZZLB-DWGHPKEWSA-N 529.192 4.134 50 50 KIGA C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)c(OC)c1 4330009 ORTUVSCENFVDBS-STBIYBPSSA-N 504.539 4.189 50 50 KIGA COc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)c(OC)c3)CC(=O)N2)c(OC)cc1Cl 1252585 FQVXKHORXPZPQL-AWEZNQCLSA-N 517.991 4.085 50 50 KIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc4c(c3)OCCO4)ccc2[C@@H]1c1c(F)cccc1Cl 1775978098 ZLTWVGAMNDIZAP-QFIPXVFZSA-N 514.918 4.236 50 50 KIGA N#CC(C#N)=C1c2cc(S(=O)(=O)NCc3ccccc3)ccc2-c2ccc(S(=O)(=O)NCc3ccccc3)cc21 1877602 AUGZMEOZBGTUJJ-UHFFFAOYSA-N 566.664 4.473 50 50 KIGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(C)cc1 220953205 WUJCTKCCYSALQZ-PMACEKPBSA-N 504.395 4.412 50 50 KIGA N#CC1=C(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)NC(=O)C[C@H]1c1ccccc1F 59586595 WGYFHEMBSGRAFA-SFHVURJKSA-N 563.076 4.364 50 50 KIGA Cc1cc(Br)c(OCC(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)c(Br)c1 1228125 AZFHFVBVPAJNCF-KQWNVCNZSA-N 560.040 4.158 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 43761046 YFDVPKXFIVMKJO-XODNFHPESA-N 500.338 4.101 50 50 KIGA O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1)c1ccccc1 239173902 OWUYUBSGXJSIGG-KSCVBYKOSA-N 519.189 4.188 50 50 KIGA CCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 239433169 XHMNNMCZBVOOBZ-RFPOMQOQSA-N 513.226 4.455 50 50 KIGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)OC2)[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12 12375505 FBZPPNZZAMSAAL-MUUNZHRXSA-N 512.928 4.289 50 50 KIGA CCOc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccc(I)cc2)=C1C#N 1142744 PLSMHELRFXBGAN-KRWDZBQOSA-N 533.391 4.400 50 50 KIGA CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC 20177044 UBYDZECKVAQKLU-NTEUORMPSA-N 520.405 4.252 50 50 KIGA COc1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1Br 995769 XTUIDJMKEOUFCO-JXFKEZNVSA-N 510.392 4.118 50 50 KIGA CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C(CCCC3=O)N2)cc1 13174411 YWFYBZPFLQDVPH-VWLOTQADSA-N 501.564 4.419 50 50 KIGA CCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1c(F)cccc1Cl 2520725 RVDUTXKNBXKSRL-XAZZYMPDSA-N 576.976 4.434 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 2542817 OYCXSTGKUPYSKM-JFLMPSFJSA-N 540.370 4.164 50 50 KIGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520153 GDKWAZKHCHUSOL-OGLMXYFKSA-N 512.547 4.308 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(O)c(OC)c3)n2-c2ccccc2)cc1 4518197 ZRPQSEZJEQLCAZ-WPWMEQJKSA-N 503.584 4.290 50 50 KIGA O=C(Cc1ccccc1)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1 239235933 XAGXBRKUABBQJO-YBZCJVABSA-N 533.216 4.117 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 4302817 DZFLFRWFRNMKAR-IURWMYGYSA-N 590.416 4.127 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(OC)c3OC)n2-c2ccccc2)cc1 9271735 BWYFQPVAFARYQU-JVWAILMASA-N 503.584 4.203 50 50 KIGA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(OCc4ccccc4C)cc3)CC2)cc1 20368213 WPZPGAPILURMEF-VUTHCHCSSA-N 505.640 4.433 50 50 KIGA C[C@]1(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)CC1(Br)Br 225636219 NDYLNOCOQCPARK-QXMUCUFTSA-N 642.770 4.192 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl 2543073 SQIHTQUACNETEY-XODNFHPESA-N 500.338 4.101 50 50 KIGA CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C1/SC(C(N)=O)=C(N)N1c1ccccc1 2671030 LRVSJLNBZSTOBC-KOEQRZSOSA-N 531.619 4.132 50 50 KIGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4258761 MOXQFOHYAOHQJK-BRJLIKDPSA-N 500.298 4.243 50 50 KIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 4292339 NSYXPFRXRBMLAO-KCSSXMTESA-N 525.561 4.346 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(O)cc3)n2-c2ccccc2)cc1OC 8564984 CKJPGJHKIGWYOU-WPWMEQJKSA-N 503.584 4.290 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)cc2OC)cc1 4329571 FWJMRXQVOOGUGN-RDRPBHBLSA-N 519.554 4.191 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC)cc3OC)n2-c2ccc(OC)cc2)cc1 100858353 ROSAATPTALWHFR-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA N#CC1=C(N)N(c2cccc(F)c2)C2=C(C(=O)OC2)[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 12375507 HBJZEPJBEDFIAU-MUUNZHRXSA-N 512.928 4.289 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)NNC(=S)Nc3ccccc3)n2-c2ccccc2)cc1OC 2573381 WIOPZZRUKYIZDP-UHFFFAOYSA-N 520.640 4.061 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 4355444 GIDBLNZIDXIQGM-FJEPWZHXSA-N 556.388 4.476 50 50 KIGA COc1cc(C(=O)NNC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc(OC)c1OC 1875303756 LYBGYZXSOKPGLD-UHFFFAOYSA-N 532.475 4.450 50 50 KIGA O=C(CNS(=O)(=O)c1ccccc1)N/N=C\c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12 102271013 PEOITWGTEHLMCU-NTFVMDSBSA-N 521.982 4.141 50 50 KIGA COc1ccc(/C=N/NC(=O)c2ccc(O[C@@H]3OCCO[C@H]3Oc3ccc(C(=O)N/N=C/c4ccc(OC)cc4)cc3)cc2)cc1 102959754 ZIGPMYTUCVLRRD-WIXVYVKMSA-N 624.650 4.388 50 50 KIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1OC 2544473 WTIGYVPECNHFNC-VTNSRFBWSA-N 525.561 4.265 50 50 KIGA CCOC(=O)C1=NO[C@H](Cc2c(/C=N/NC(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)c(OC)c3c(c2OC)OCO3)C1 150417246 LTHYKQZWLOXFJC-XVVOJSSASA-N 633.683 4.464 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3cccc(F)c3)n2-c2ccccc2)cc(OC)c1OC 1474778 VAOLABJMMIZWMW-RWPZCVJISA-N 521.574 4.342 50 50 KIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2542467 KVAJIQLODVGHLX-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)sc2c1CCCC2 4282896 PWLKEUJNNSENHJ-MUFRIFMGSA-N 533.606 4.420 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1OC 100302722 CHWDHIOKTOXCDB-WPWMEQJKSA-N 532.582 4.492 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2OC)cc1 4259594 MRJJIHPBRIDAIE-RDRPBHBLSA-N 503.555 4.491 50 50 KIGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccc(C(F)(F)F)c4)ccc32)cc1 1857799787 BPZGTCQBQSRZEB-JOCHJYFZSA-N 530.480 4.478 50 50 KIGA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(OCCN2CCOCC2)cc1 20220721 QCVPYOFWXRWCMN-OQKWZONESA-N 517.607 4.458 50 50 KIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)c2)cc1 4360247 UMHSFVUOVTZNJJ-ZCTHSVRISA-N 542.592 4.066 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2OC)cc1OC 4302555 VQTCXVWKRAXEOT-VULFUBBASA-N 513.344 4.458 50 50 KIGA Cc1cc(NC(=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)c(C)cc1Br 239310214 IFWNZUBVPWZXCW-XXDARYRJSA-N 577.111 4.171 50 50 KIGA CCOC(=O)[C@H]([C@@H](SC)c1ccc(OC(=O)c2ccccc2)cc1)N(O)C(=O)[C@@H](C)Br 71775035 ZTJWDCOIXCAEQR-CCKFTAQKSA-N 510.406 4.243 50 50 KIGA COc1ccc(/C=N/NC(=O)c2cccc(COc3ccc(I)cc3)c2)cc1Cn1cnc([N+](=O)[O-])n1 101130290 PFMSHKGQGIQVPY-XODNFHPESA-N 612.384 4.191 50 50 KIGA COc1cc(/C=N/NC(=O)c2ccccc2I)ccc1OC(=O)c1ccccc1 4372546 FBKFQLPJXQNTBH-ZVHZXABRSA-N 500.292 4.283 50 50 KIGA CCOC(=O)c1c(NC(=S)NNC(=O)C(O)(c2ccccc2)c2ccccc2)sc2c1CCCC2 2852398 UDHGNMOFWRCNGA-UHFFFAOYSA-N 509.653 4.057 50 50 KIGA COc1cc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 102283857 JEHREZVTAJBDCR-VVEOGCPPSA-N 604.841 4.228 50 50 KIGA C=C[Si@@]1(C)O[Si](c2ccccc2)(c2ccccc2)O[Si](c2ccccc2)(c2ccccc2)O[Si@](C)(C=C)O1 1857795408 BTSUMWRSCQGUHW-LQFQNGICSA-N 568.926 4.174 50 50 KIGA Cc1cc(C)cc(N2C(N)=C(C#N)[C@@]3(C(=O)N(Cc4cccc(F)c4)c4ccccc43)C3=C2COC3=O)c1 12445714 GVZFDKRDKROSKO-SSEXGKCCSA-N 506.537 4.252 50 50 KIGA COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 16346606 YNTJTILQEZKFEF-UHFFFAOYSA-N 501.455 4.014 50 50 KIGA COc1cc(C(=O)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc(OC)c1OC 1227886 OXDFUJHQQHLZJG-UHFFFAOYSA-N 512.562 4.327 50 50 KIGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1 4292356 HTUOIQGALUDMRD-HNSNBQBZSA-N 535.556 4.314 50 50 KIGA COC(=O)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)c2)cc1 239165194 NQXRNVDSYGCHJJ-YRXWBPOGSA-N 565.214 4.119 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OC)c2)sc2c1CCCC2 4282626 SIEVBBPHYQWGAT-OKCVXOCRSA-N 563.632 4.429 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C(\C)c3ccccc3O)n2-c2ccccc2)cc(OC)c1OC 100951760 SUNDDOCBKYMTAU-OGLMXYFKSA-N 533.610 4.298 50 50 KIGA Cc1cc(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)c(C)cc1Br 239310212 IFWNZUBVPWZXCW-IEOISPECSA-N 577.111 4.171 50 50 KIGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 4354101 CSIAZEBGZOVRAW-CAUYNWHBSA-N 512.316 4.494 50 50 KIGA C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2)C1 253390531 SNPIJBMUFQYUAE-OHRROKDASA-N 559.692 4.162 50 50 KIGA Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 2520728 WSKLUNAVWYLXTI-KBVAKVRCSA-N 530.548 4.396 50 50 KIGA O=C(Nc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1)c1ccccc1 239030819 CJFQDENFHFBRCK-VWQYPGANSA-N 518.205 4.221 50 50 KIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(F)cc3)cc2OC)cc1 4347495 CZILYNQCRLQKDM-KBVAKVRCSA-N 521.545 4.113 50 50 KIGA CCSc1nc(C)c(CC)c(OC/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2cccc([N+](=O)[O-])c2)n1 4583322 UKYWPJCRXWZOKH-SZXQPVLSSA-N 524.559 4.489 50 50 KIGA CC(C)(C)C(=O)OC[C@H]1O[C@@H](N=C=S)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C 60272738 QCEYERYMOHEQHK-UJWQCDCRSA-N 557.706 4.277 50 50 KIGA 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(-c2ccccc2)cc1 230022790 DOTRBXSHNQVDTM-FVZFRCBOSA-N 589.280 4.248 50 50 KIGA CCc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)N(Cc4ccccc4F)c4ccccc43)C3=C2COC3=O)cc1 12413353 UEBKNWYHGGYKQR-PMERELPUSA-N 506.537 4.198 50 50 KIGA CC(C)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 245310052 GXUZBJYDBLMWLS-MVEAFLSBSA-N 546.687 4.471 50 50 KIGA COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@H]3CCl 3799703 SDJNZXKVYYJDDM-GFCCVEGCSA-N 513.934 4.150 50 50 KIGA C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)NN=C(C)c1ccc(OC)cc1OC 253470691 WBLWWFWTYBTRMT-UHFFFAOYSA-N 515.039 4.379 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2OCC)cc1 4347163 BULAVNIIXZHZPK-RDRPBHBLSA-N 503.555 4.491 50 50 KIGA O=C(NNS(=O)(=O)c1csc(-c2ccc(F)cc2)n1)c1cc(-c2ccccc2)nn1-c1ccccc1 1875353462 TYQCUNRLLVDLLX-UHFFFAOYSA-N 519.583 4.425 50 50 KIGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCc4ccc(OC)c(OC)c4)c(=O)c32)cc1OCC 2691293 MJJMAYXUOCWQMZ-MHZLTWQESA-N 531.609 4.432 50 50 KIGA CO[C@@H]1O[C@@H](CI)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 4721315 PZIHVRKLNUFQQX-COPGRJHTSA-N 616.404 4.470 50 50 KIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1 100559074 VVAIWNLNXKYFBE-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA 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)NCCc1ccc(O)cc1 150361772 DUNUCUVGOJIKIR-SUYVGKOCSA-N 616.752 4.113 50 50 KIGA biogenic COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4ccccc4C)c3N2)cc1 2794757 KVSZISNOGGXEHX-RBUKOAKNSA-N 504.538 4.492 50 50 KIGA COc1ccc(C=NNC(=O)CN2CCCC[C@H]2c2cccnc2)cc1COc1ccc(NC(C)=O)cc1 252679730 QJSJATAOSJNRAV-MHZLTWQESA-N 515.614 4.305 50 50 KIGA biogenic COc1cc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1c(F)cccc1Cl 2520732 PSKNZKYFRNRUIX-VVEOGCPPSA-N 562.949 4.044 50 50 KIGA O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 1307634 OCAUYEKZQRQRPR-UHFFFAOYSA-N 533.411 4.262 50 50 KIGA COc1ccc(CC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cc1OC 1836478 SYJVOTWEYGKBCU-COOPMVRXSA-N 508.372 4.076 50 50 KIGA COc1ccccc1NC(=O)[C@H](Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 239439032 ZIXMUUAZIKUGQS-UCUXEFDGSA-N 576.285 4.023 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1OC 2542809 OBCSFNFWWLZKEJ-UVHMKAGCSA-N 560.788 4.428 50 50 KIGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 4302481 HDBHWAQJWUHFOK-UVHMKAGCSA-N 514.763 4.202 50 50 KIGA O=C(COc1ccc(Cl)cc1Cl)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 827867 UBACSPIDCUZUAN-UHFFFAOYSA-N 521.980 4.370 50 50 KIGA Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2531464 FVAMONCJULQELE-STBIYBPSSA-N 515.591 4.104 50 50 KIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1 4209404 XVDJYOXTPGLKDN-UVHMKAGCSA-N 561.763 4.044 50 50 KIGA COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4ccc(C)cc4)c3N2)cc1 2794681 YYTAKJNGLKTUCL-OALUTQOASA-N 504.538 4.492 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc(Br)c1 2568801 ILGKZRADOMPDIS-XODNFHPESA-N 544.789 4.210 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 2544298 YMAFGNABIFHHKB-JFLMPSFJSA-N 540.370 4.164 50 50 KIGA O=C(Cc1ccccc1)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1 230016773 XAGXBRKUABBQJO-VTLVALNESA-N 533.216 4.117 50 50 KIGA COC(=O)c1cccc(-c2ccc(C=NNC(=O)N/N=C/c3ccc(-c4cccc(C(=O)OC)c4)o3)o2)c1 250481299 WRLHENHEKDBMOR-GJQIEGAISA-N 514.494 4.447 50 50 KIGA COc1ccc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC 4527652 GLDDKINOCUBJJC-UOSOPFLXSA-N 512.607 4.052 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 2542891 LXWQBERYMDFXSB-VFLNYLIXSA-N 530.364 4.110 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc(OC)c1OC 2349640 VVMQPHHURSGTAK-JFLMPSFJSA-N 548.581 4.111 50 50 KIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@]3(C(=O)N(C)c4ccccc43)C3=C2CC(C)(C)CC3=O)s1 12401670 AZMADIRUPOTRGZ-VWLOTQADSA-N 506.657 4.110 50 50 KIGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(Br)cc4)ccc32)cc1 1775977278 SLWBLPNIYCICJU-QFIPXVFZSA-N 541.379 4.222 50 50 KIGA CC(=O)c1cccc(-c2ccc(C=NNC(=O)C(=O)N/N=C/c3ccc(-c4cccc(C(C)=O)c4)o3)o2)c1 245324830 AFPFPDRIMJJNCH-CTPKECNBSA-N 510.506 4.212 50 50 KIGA COc1c(O)ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)c1[N+](=O)[O-] 1087548 VOKCIUXWGQLZKU-CGOBSMCZSA-N 581.999 4.126 50 50 KIGA C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCc2ccccc21)c1ccc(-c2ccccc2)cc1 102278378 RJHCFPPRURMGRS-DXJNIWACSA-N 533.596 4.006 50 50 KIGA Cc1cc(Br)cc(C)c1OCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 1228216 IVQJIOMRTMFPKH-UHFFFAOYSA-N 560.040 4.442 50 50 KIGA CC1=CC(=O)/C(=C(/C)NNC(=O)CC[C@H](C)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C(=O)O1 253504007 KSBWHZNIKJEVNH-DVFQOAOOSA-N 556.744 4.318 50 50 KIGA O=C(N/C(C(=O)N1CCOCC1)=C(/S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 101131719 QCOVXXZCEAFQAI-UHFFFAOYSA-O 553.644 4.368 50 50 KIGA CCCCCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1 252427800 GOSGOQGKGXYLID-WJQMWINMSA-N 513.226 4.316 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)cc2OCC)cc1 4295917 VULYGPITNWIFBN-RDRPBHBLSA-N 503.555 4.354 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 2531826 BVECNFGNWHJNMU-MZJWZYIUSA-N 528.334 4.295 50 50 KIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1126959 GGGNZWVNXQYUPD-LJQANCHMSA-N 512.320 4.195 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)sc2c1CCCC2 4360153 UIZTVNMLCMYMQK-MUFRIFMGSA-N 549.605 4.120 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)o3)n2-c2ccccc2)cc(OC)c1OC 1210725 XWHVJOPDLOOKGH-VULFUBBASA-N 507.572 4.104 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2OC)cc1 2531926 GTZYFFQLEGHWMM-OKCVXOCRSA-N 546.605 4.214 50 50 KIGA C/C(=N\NC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)c2ccc(Br)o2)cc1 8456149 BNDDNNYWCAHOQL-AUEPDCJTSA-N 523.185 4.253 50 50 KIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 102306903 JFGRXBWNWHRQAO-DHRITJCHSA-N 534.432 4.220 50 50 KIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc1OC 102316341 ZCCWLRYBWSHHTF-AFUMVMLFSA-N 530.318 4.292 50 50 KIGA C[C@]1(C(=O)NNC(=O)[C@H]2[C@H](C(=O)O)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)CC1(Br)Br 239164915 NDYLNOCOQCPARK-JJGFNLKYSA-N 642.770 4.192 50 50 KIGA CCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1 239402563 QUKAOSSKAAGYFM-DNLMCPORSA-N 513.226 4.455 50 50 KIGA O=C(CCCCCCC(=O)Nc1ccc(CNC(=O)OCCOCCOCCOC(=O)NCCOCCOCCCCCCCl)cc1)NO 218780703 QJTGTGYXESVKJU-UHFFFAOYSA-N 719.273 4.289 50 50 KIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 4283185 MZXMETHRXXLWJV-FJEPWZHXSA-N 525.989 4.215 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2OCC)cc1 4303245 LVEPCIFCTGHDGH-LQKURTRISA-N 509.946 4.445 50 50 KIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 2531280 KQMBMVXATQFDAX-LGJNPRDNSA-N 530.762 4.419 50 50 KIGA COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc(OC)c1OC(C)=O 12560999 STNDWWNXKBQDJI-FOKLQQMPSA-N 518.642 4.015 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)sc2c1CCCC2 4259110 SZGIRVJLBFFOPH-OKCVXOCRSA-N 579.631 4.129 50 50 KIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OCC)cc2)cc1 4283236 KGAQWVPNJSCZKK-OKCVXOCRSA-N 568.424 4.346 50 50 KIGA 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(-c2ccccc2)cc1 230022796 DOTRBXSHNQVDTM-HSEQCXDYSA-N 589.280 4.248 50 50 KIGA COc1c2c(c(Br)c3c1OCO3)CCN(C)C(C(=O)c1cccc(NC(=O)CCl)c1)=C2 263586526 VGUVIJGSLVUJQU-UHFFFAOYSA-N 507.768 4.075 50 50 KIGA biogenic COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 2531141 TYGMPFYKYXFKOC-VULFUBBASA-N 510.344 4.074 50 50 KIGA CC(C)(C)C(=O)OC[C@H]1O[C@@H](N=C=S)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C 60272715 QCEYERYMOHEQHK-ICBNADEASA-N 557.706 4.277 50 50 KIGA in-vitro COc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 2521764 XBVRZARJBIAUPG-KNZXSQEYSA-N 522.355 4.165 50 50 KIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2OC)cc1 4229920 VSJNHFBJAUZZGW-BIZUNTBRSA-N 566.570 4.264 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2OC)cc1 4287025 DLZUUYQILKJZLD-AKBIMGJMSA-N 507.499 4.139 50 50 KIGA CCOCCN(Cc1ccc(CN(CCOCC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl 8214685 MSJLJWCAEPENBL-UHFFFAOYSA-N 502.266 4.024 50 50 KIGA in-man COC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(OC)c(OCc3ccc(Cl)c(Cl)c3)c1)C(C#N)=C(N)O2 12371391 HDYURAWXVLXJID-NRFANRHFSA-N 515.353 4.238 50 50 KIGA CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@@H]1c1ccccc1F 1142495 PCQGTJLVARGNTR-VQTJNVASSA-N 532.391 4.088 50 50 KIGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(OC)ccc4OC)c32)cc(Br)c1O 987186 HOZRVKJJBKARRY-SFHVURJKSA-N 513.348 4.179 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2I)ccc1OC(=O)c1ccccc1Cl 2542673 WBOZWWKTQZUGJC-XODNFHPESA-N 591.789 4.053 50 50 KIGA COc1ccc(Br)cc1[C@H]1[C@H]2CN(C(=O)OC(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 16034224 VNGYTHJVEJPTHM-ICSRJNTNSA-N 510.392 4.118 50 50 KIGA COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3C[C@H]4[C@H](Br)[C@@H]3Br)cc2)c1 239121312 JSFRJPSKBGTYKR-PJBUMPDVSA-N 549.215 4.197 50 50 KIGA COc1cc(/C=N/NC(=O)CC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1OC(=O)c1ccccc1 4527760 CVUPZZWQKFGBIE-VQGAUUQYSA-N 608.607 4.133 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc(Br)c1 2521675 XPNADZWSOFFHTJ-XODNFHPESA-N 544.789 4.210 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OC(=O)c1cccc(Br)c1 2544427 GSLRWODUMMHKBK-VULFUBBASA-N 510.344 4.074 50 50 KIGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCOCC2)c1)c1nc(O)c2ccccc2n1 97946747 UOHFFZNLNHMMDU-XLNRJJMWSA-N 564.627 4.273 50 50 KIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OC(=O)c1ccc(OC)cc1 2529710 BNLNETKEQRNLKF-RWPZCVJISA-N 509.946 4.364 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2I)ccc1OC(=O)c1cccc(Br)c1 4327005 JQDATBZTHZLGGX-XODNFHPESA-N 636.240 4.162 50 50 KIGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 2531082 CSFZILSRGDCJCL-STBIYBPSSA-N 515.591 4.104 50 50 KIGA CCOc1cc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc(Br)c1OCc1cccc2ccccc12 2542027 ZVUYXRFDBKXGRI-VFLNYLIXSA-N 591.426 4.198 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)sc2c1CCCC2 4261293 DETYSRBNPFEAMV-VULFUBBASA-N 525.608 4.173 50 50 KIGA BrCc1cc(I)cc(I)c1I 118743004 NKCRQIRPMHPBII-UHFFFAOYSA-N 548.725 4.395 50 50 KIGA COc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)c1 2531633 DGJFOJDKIMUMGF-VULFUBBASA-N 513.344 4.458 50 50 KIGA COc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)Nc4cccc(C)c4)c3N2)cc1 2795265 YVZRRKPNMCZARV-RTBURBONSA-N 504.538 4.492 50 50 KIGA COc1cc(C=NNC(=O)[C@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc(Br)c1O 238882185 CRACOWSRGGTVCB-HNNXBMFYSA-N 521.371 4.252 50 50 KIGA CSCC[C@@H]1N[C@]2(C(=O)N(CCCCl)c3ccccc32)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 252431049 ZRAPAYYXMDMJAG-MGPQRACWSA-N 518.466 4.042 50 50 KIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 71775014 GYAPJRWZMJZOFJ-ZCTHSVRISA-N 526.593 4.366 50 50 KIGA O=[n+]1c(CBr)c(CBr)n(O)c2c1[C@@H](Br)CC[C@H]2Br 136851049 RJKMNTSZFSMIAA-RITPCOANSA-N 510.826 4.096 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(OC)cc(OC)cc3OC)n2-c2ccccc2)cc1 863877 PWTFFCUAJAVQON-LQKURTRISA-N 533.610 4.211 50 50 KIGA COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 43761077 JAXUQRVOIFFVMA-VFLNYLIXSA-N 514.365 4.239 50 50 KIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1 2520418 WJSYSWQJLVPFRN-CVKSISIWSA-N 509.360 4.189 50 50 KIGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)c1 4302677 IXZQNINICXJKRX-VULFUBBASA-N 510.344 4.074 50 50 KIGA CCOC(=O)c1c(NC(=S)NNC(=O)[C@H](C)Oc2ccc(C)cc2[N+](=O)[O-])sc2c1CCCCC2 2851770 OTUJCISGTNWTFR-AWEZNQCLSA-N 520.633 4.195 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC(C)=O)c(OC)c3)n2-c2ccccc2)cc(OC)c1OC 100328928 DWHRLUYLDCRTRN-WCMJOSRZSA-N 621.672 4.145 50 50 KIGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)cc2Br)=C(C#N)[C@H]1c1ccc(C)cc1 220954087 SWHARRLTXQKYMT-RTWAWAEBSA-N 528.428 4.176 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)cc2OCC)cc1 4355159 ISZGBSVSVICDRU-OKCVXOCRSA-N 523.973 4.237 50 50 KIGA O=C(CC(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1)N/N=C/c1ccccc1OC(=O)c1ccccc1 4527764 HTKOVXOEUNBALY-YMQWWVFYSA-N 548.555 4.116 50 50 KIGA COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O 2388493 VXMQJWODJVRNJV-FBCYGCLPSA-N 506.976 4.452 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2OC)cc1 2531901 QYUJGUTXVAHWPH-RWPZCVJISA-N 509.946 4.364 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(OC)cc2)cc1 4335744 LETLVTWLUODKAZ-OKCVXOCRSA-N 568.424 4.346 50 50 KIGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)OC2)[C@]12C(=O)N(Cc1ccccc1F)c1ccccc12 12375501 ZJPUXTFZQKTOAU-MUUNZHRXSA-N 512.928 4.289 50 50 KIGA COc1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C(=O)OC(C)(C)C)C[C@H]32)cc1Br 995770 XTUIDJMKEOUFCO-OXQOHEQNSA-N 510.392 4.118 50 50 KIGA O[Si](c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)[Si](O)(c1ccccc1)c1ccccc1 169817564 PNKFOXAXCIVBES-UHFFFAOYSA-N 763.206 4.252 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)sc2c1CC[C@@H](C)C2 4261127 OQLCTSQAMJKUAY-UIUUPTCRSA-N 593.658 4.375 50 50 KIGA COc1cc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc(OC)c1OC 4292330 BUVYEAPCRGMQNQ-ATZGPIRCSA-N 555.587 4.273 50 50 KIGA CCOc1ccc(CC(=O)NNC(=S)Nc2sc(Cc3ccccc3)cc2C(=O)OC)cc1OCC 16346053 RPTCNSRERABENA-UHFFFAOYSA-N 527.668 4.483 50 50 KIGA COc1cccc(C(=O)Oc2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)c1 239121310 JSFRJPSKBGTYKR-CPPNMTBBSA-N 549.215 4.197 50 50 KIGA CCOC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)[C@H]1c1ccccc1F 1142497 PCQGTJLVARGNTR-WOJBJXKFSA-N 532.391 4.088 50 50 KIGA Cc1ccc(S(=O)(=O)/N=C(/CCl)N2[C@H](C(C)C)N(S(=O)(=O)c3ccc(C)cc3)C[C@H]2C)cc1 137283339 MBJLQWGHXZIFAS-ZCLJSIPYSA-N 512.097 4.007 50 50 KIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2 4260208 MFCVUTCLRJFEIB-NZEOBHLKSA-N 563.632 4.366 50 50 KIGA CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CC(=O)N/N=C\c1ccccc1 32620501 QJESMPQPTSZXAP-IVRBHCBNSA-N 500.559 4.107 50 50 KIGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 43190522 MAQSREUZAYJQCH-VULFUBBASA-N 510.344 4.074 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)n2-c2ccc(OC)cc2)cc1 100858351 QACPWIIHPQSBAL-MUFRIFMGSA-N 563.636 4.220 50 50 KIGA COc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1 2544291 RFVPYVYHIWHVAI-OCSSWDANSA-N 527.533 4.174 50 50 KIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)n2-c2ccc(C)cc2)cc1 1474476 PXMSEXNTQPNYMX-CVKSISIWSA-N 502.556 4.402 50 50 KIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Br)c1 691386 CAVMQCXAZRUDIX-DVECYGJZSA-N 505.416 4.190 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1OC 2531450 RBYOCDPEWKAICG-UVHMKAGCSA-N 560.788 4.428 50 50 KIGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Cl)c3)C3=C2C(=O)CCC3)cc1CN1CCOCC1 12648882 CFPVRESHGAWFIL-AREMUKBSSA-N 505.018 4.486 50 50 KIGA CO[C@@H]1O[C@H](CI)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 101136985 PZIHVRKLNUFQQX-KIXIZIRYSA-N 616.404 4.470 50 50 KIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1 2531263 QLUIBANNALTASZ-UVHMKAGCSA-N 516.337 4.319 50 50 KIGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4282227 CMGGBUVLOAYOLP-LGJNPRDNSA-N 529.778 4.452 50 50 KIGA COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 150363818 ZGZNJWNJYXNUQG-DPNNOFEESA-N 665.656 4.114 50 50 KIGA CCn1c(SCC(=O)N/N=C/c2cc(I)cc(I)c2O)nnc1-c1ccc(OC)cc1 150392119 KEHAUNGCXXEQQS-AUEPDCJTSA-N 663.279 4.131 50 50 KIGA Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=NNC(N)=O)c1cc(S(=O)(=O)Nc3ccccc3C)ccc1-2 2689990 AWVMOUNTJWGXRL-UHFFFAOYSA-N 575.672 4.306 50 50 KIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 4347308 PHVZZJSOWYGIBJ-IURWMYGYSA-N 590.416 4.127 50 50 KIGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccc(C(F)(F)F)c4)ccc32)cc1 1857799788 BPZGTCQBQSRZEB-QFIPXVFZSA-N 530.480 4.478 50 50 KIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2542905 CSXUBOCSWUMTEM-IPPBACCNSA-N 514.365 4.491 50 50 KIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)c1ccc(C)cc1 4260864 AEVARCTYIFMDRU-BIZUNTBRSA-N 556.619 4.374 50 50 KIGA COc1ccccc1C(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 239412332 SOKITHGWRIOTPG-MSPXFKQSSA-N 549.215 4.197 50 50 KIGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 1234293 WSTRDHQGFWQEOV-UHFFFAOYSA-N 509.198 4.495 50 50 KIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1 71775016 ALJYXAHRWMZSRF-ZCTHSVRISA-N 526.593 4.366 50 50 KIGA COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc(OC)c1OC 2324866 HCPRHWDXINKEOG-JFLMPSFJSA-N 548.581 4.111 50 50 KIGA COc1ccccc1C(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1 239439179 ZNTMHFQXBHTUJA-MSPXFKQSSA-N 549.215 4.197 50 50 KIGA O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 4282685 DWUAUTFIFFMAGY-XEWRIECCSA-N 576.856 4.150 50 50 KIGA O=C(Cc1ccccc1)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 230016778 XAGXBRKUABBQJO-VJQWSGFBSA-N 533.216 4.117 50 50 KIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(F)cc43)C3=C2CC(C)(C)CC3=O)s1 12401667 BPVLAXWKHQYQIG-XMMPIXPASA-N 510.620 4.225 50 50 KIGA CC(C)C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 245310053 GXUZBJYDBLMWLS-NYLIRDPKSA-N 546.687 4.471 50 50 KIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3I)cc2OC)cc1 4354552 NWDWOPSALZABIF-OKCVXOCRSA-N 615.424 4.188 50 50 KIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2C)c1 2542725 MFCAONFEJVSLPR-CCVNUDIWSA-N 508.372 4.165 50 50 KIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1 2553602 KBYFGMFWIOCJRJ-JFLMPSFJSA-N 540.370 4.164 50 50 KIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2531628 ASLWTPVIGANHCD-DHRITJCHSA-N 528.315 4.358 50 50 KIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1 2542785 MRLRRBGLFULMSY-VFLNYLIXSA-N 530.364 4.110 50 50 KIGA N=[C]SCCCCOC(=O)Oc1c(I)cc([N+](=O)[O-])cc1I 409415879 XWGOLOVEQRFPFS-UHFFFAOYSA-N 549.104 4.317 50 50 KIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 2544132 DPRMVPFZTOOSDE-DHRITJCHSA-N 500.736 4.411 50 50 KIGA BrCCOc1c(I)cc(I)cc1I 100070874 SRYZDGUCAJJSFM-UHFFFAOYSA-N 578.751 4.274 50 50 KIGA Cc1cccc(NC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1 239305862 GCHZAJKRQMZEAF-YEMRUFCGSA-N 526.269 4.126 50 50 KIGA O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1)c1ccccc1 245229570 BHBVVDMCPHLSST-YBZCJVABSA-N 561.226 4.009 50 50 KIGA COc1cccc(N2[C@H](c3ccc(Br)cc3)[C@H]3C(=O)OC(=O)[C@H]3C23C(=O)c2ccccc2C3=O)c1 230084976 OJHGUFXIZQAOOR-FDFHNCONSA-N 532.346 4.153 50 50 KIGA