smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN1N[C@@H](c2ccccc2)/C(=N\OC(=O)c2ccc(Cl)cc2)SC1=S 4365174 UEWSSSKVELLVNP-SPPQWUQUSA-N 391.905 4.020 30 30 GIEC Cc1ccc(CN2C(=O)C(=NNc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 254845669 YCFSWHAUUOSVBB-UHFFFAOYSA-N 386.411 4.266 30 30 GIEC CCC(=O)O/N=C(\N)c1ccc(Oc2cc(C)c(Cl)c(C)c2)c([N+](=O)[O-])c1 15924124 CDOSECMPPCQIPK-UHFFFAOYSA-N 391.811 4.231 30 30 GIEC CCOC(=O)[C@H](Cc1ccc(F)cc1)C(=O)CC=NOCc1ccc(C)cc1 2265279488 UKUSFYIOXFHOEV-HXUWFJFHSA-N 385.435 4.018 30 30 GIEC CC(C)(O)C#Cc1ccc(/C=N/Nc2ncc(C(F)(F)F)cc2Cl)cc1 4363124 UIUMSOPKZDCTEP-YSURURNPSA-N 381.785 4.322 30 30 GIEC S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@H]12 252428086 PQPOVKWUNMAKIQ-MEUPBVHUSA-N 380.344 4.392 30 30 GIEC CCCCCC(=O)O/N=C(\C)c1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1 4300498 DQCVQOZFDKXRMZ-XSFVSMFZSA-N 396.896 4.226 30 30 GIEC C/C(=C\C(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F 43068587 PTHJGFDUQRGSRD-DUXPYHPUSA-N 388.148 4.034 30 30 GIEC S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@@H]12 252428089 PQPOVKWUNMAKIQ-QGSGSFDRSA-N 380.344 4.392 30 30 GIEC N/C(=N\OC(=O)/C=C/c1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1 4390582 HLVOGZQMWMQXQR-XCVCLJGOSA-N 384.741 4.116 30 30 GIEC Cc1ccc(S(=O)(=O)OCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1 96331753 BDIWEUIKLCYRSG-UHFFFAOYSA-N 391.489 4.290 30 30 GIEC CCN(CC)CC#CC(C)(C)OC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 3775048 DMEPDNFRHUGNPT-XMMPIXPASA-N 385.548 4.122 30 30 GIEC in-man NC(=S)N/N=C/c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1 1035834 SFILBKXSGXEHLQ-QPSGOUHRSA-N 390.843 4.072 30 30 GIEC CC1(C)C=Cc2cc(/C(N)=N/OC(=O)c3cccc(C(F)(F)F)c3)ccc2O1 4362142 XYVIOCKXWGYIKE-UHFFFAOYSA-N 390.361 4.367 30 30 GIEC N#Cc1cnn2c1ncc1c(C=CNc3ccc(C(F)(F)F)cc3)nccc12 2265279117 FFXBYTAEHJDNEJ-UHFFFAOYSA-N 380.333 4.251 30 30 GIEC N#Cc1cccc(C#N)c1Oc1ccc(NS(=O)(=O)c2ccccc2)cc1 36047526 ZGFMGCVFQGZCTA-UHFFFAOYSA-N 375.409 4.023 30 30 GIEC COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(=S)[nH]c(O)c32)c1 1035439 ZCJJOXMPFTXNMN-AWEZNQCLSA-N 383.473 4.054 30 30 GIEC N#Cc1cnn2c1ncc1c(C=CNc3ccc(OC(F)(F)F)cc3)nccc12 2265278796 LECBDJRPPMAYLU-UHFFFAOYSA-N 396.332 4.131 30 30 GIEC CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(C)=O)CC[C@@H]4[C@@H]3C[C@@H]3O[C@@]32C1 2265351675 PTARAGMFTGDAST-PTDZCRPNSA-N 390.520 4.024 30 30 GIEC O=C(/C=C/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 1041324 ZXLOKUVSXPQRSB-MDZDMXLPSA-N 385.666 4.273 30 30 GIEC C=C(C)Cc1c(COC)nc(-c2ccc(C)c(Cl)c2)nc1OC(=O)N(C)C 1044772 OCVZHYVHTZEGBE-UHFFFAOYSA-N 389.883 4.431 30 30 GIEC CN(C)C=NC(=O)[C@@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 2265276236 ZSZGBMDULYEKCA-JOCHJYFZSA-N 388.442 4.305 30 30 GIEC C[C@@H]1CN(c2ncc(C=NNc3ccc(C(F)(F)F)cc3)s2)C[C@@H](C)O1 254304536 HYYWNEZYJFHABR-VXGBXAGGSA-N 384.427 4.222 30 30 GIEC COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(=S)[nH]c(O)c32)c1 1035438 ZCJJOXMPFTXNMN-CQSZACIVSA-N 383.473 4.054 30 30 GIEC S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21 252428088 PQPOVKWUNMAKIQ-PSXTZLGNSA-N 380.344 4.392 30 30 GIEC O=C(Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1)c1cccs1 4390822 YSRHDSANJMXGCF-UHFFFAOYSA-N 379.282 4.141 30 30 GIEC C/C(=N\OC(=O)Nc1ccccc1)c1sc2nc(C(F)(F)F)nn2c1C 4394689 IXHYZEDDIXWERH-GZIVZEMBSA-N 383.355 4.091 30 30 GIEC Cc1c(C(CSCc2cccc(C(F)(F)F)c2)=NO)sc2ncnn12 254448345 ISYOXTQRQHVWBH-UHFFFAOYSA-N 386.424 4.230 30 30 GIEC CN(C)/C=C(\Sc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)OCCO2 33365620 YZGGSNVYIDFZSY-PDGQHHTCSA-N 375.877 4.489 30 30 GIEC CCN(CC[N+](C)(C)C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1 38613478 NPWCCXQDRMJUDL-GHVJWSGMSA-N 381.460 4.414 30 30 GIEC COc1cc(C(=O)N(CCC#N)[C@H]2C[C@@H](C)CC(C)(C)C2)cc(OC)c1OC 3179740 PRDSDQOJTCTJST-WBVHZDCISA-N 388.508 4.283 30 30 GIEC C[C@@H](NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 200458092 FVCJFSZQVPBGTE-GFCCVEGCSA-N 381.709 4.225 30 30 GIEC CSc1nc(/N=C/N(C)C)n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 100381525 JWLVGASJKITCHF-QPSGOUHRSA-N 397.348 4.248 30 30 GIEC Cc1nc(-c2ccc(/C(N)=N/OC(=O)c3c(F)cccc3Cl)cc2)cs1 4394465 LRYCQGQNFBMVCJ-UHFFFAOYSA-N 389.839 4.388 30 30 GIEC CON=Cc1c(-c2ccccc2)nn(C)c1Sc1ccccc1C(=O)OC 254498115 KZDMISARAQUVKK-UHFFFAOYSA-N 381.457 4.005 30 30 GIEC CCOC(=O)c1c(C)noc1/C(C)=N/OC(=O)Nc1cccc(C(F)(F)F)c1 4394644 BZIMDIFIJMICOV-AUEPDCJTSA-N 399.325 4.151 30 30 GIEC CC(C)(C)N1C(=O)[C@@H](c2ccccc2)S/C1=N\N=C\c1cccc([N+](=O)[O-])c1 63603823 KUSXMUZUXWDLOW-OQVUGJAGSA-N 396.472 4.400 30 30 GIEC COc1ccc(C(=O)ON=Cc2c(-c3ccccc3)nc3sccn23)cc1 254750502 QXCHHVXOEKRYPN-UHFFFAOYSA-N 377.425 4.262 30 30 GIEC O=C(NC(Nc1cccc(F)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 3138646 MEXPAWXPCUDHKO-UHFFFAOYSA-N 380.263 4.489 30 30 GIEC CN1N[C@H](c2ccccc2)/C(=N\OC(=O)c2ccc(Cl)cc2)SC1=S 1040398 UEWSSSKVELLVNP-DUHXBFFASA-N 391.905 4.020 30 30 GIEC CCN(CC)c1ccc(/N=N/c2ccc(C#N)c(Cl)c2)c(NC(=O)CO)c1 33607170 BQDOGQCKDKUTMD-WCWDXBQESA-N 385.855 4.404 30 30 GIEC CC[C@H](C)/C=C(C)/C=C/C1=CC2=CC3=C(C(C)=O)C(=O)O[C@]3(C)C(=O)C2=CO1 85553559 CJMOMVNHRUTOJX-WCUWGRSFSA-N 380.440 4.043 30 30 GIEC Cc1cc([C@@]2(c3cc(C)c(O)c(C)c3)OS(=O)(=O)c3ccccc32)ccc1O 44075848 KRLYZEGKINKKSZ-QFIPXVFZSA-N 396.464 4.034 30 30 GIEC in-vitro CC1=C(OS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)CC1 2146569 BWWZSLJBVIQXSE-UHFFFAOYSA-N 388.285 4.066 30 30 GIEC CCN(CC)C(=O)[C@@H]1C2=C(C[C@@H](c3ccccc3)[C@H]1C(=O)O)CC(C)(C)CC2=O 5561476 FUXLDXFRSJXUQG-IOMROCGXSA-N 397.515 4.045 30 30 GIEC in-man C/C=C/C1=CC2=CC3=C(C(=O)CCCCCCC)C(=O)O[C@@]3(C)C(=O)C2=CO1 58568858 IIPVSGPTPPURBD-HAOIVFDCSA-N 382.456 4.411 30 30 GIEC in-vitro O=C1c2cccc3cccc(c23)C(=O)N1/N=C/c1cccc(Br)c1 1022174 PYKIOBQHOFRUPH-SRZZPIQSSA-N 379.213 4.232 30 30 GIEC CCN(CC)C(=O)[C@@H]1C2=C(C[C@H](c3ccccc3)[C@H]1C(=O)O)CC(C)(C)CC2=O 3604411 FUXLDXFRSJXUQG-DUXKGJEZSA-N 397.515 4.045 30 30 GIEC C/C(=N\OCC(=O)N=[S@](C)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 12367184 OGKKUVPWFVWFBP-FECOFQHFSA-N 378.881 4.073 30 30 GIEC CCOC(=O)[C@@H]1S[C@H](c2ccc(Cl)cc2)[C@H](C#N)[C@]1(O)c1ccccc1 248288753 IFJQETUKALJECG-HLNWXESRSA-N 387.888 4.087 30 30 GIEC C[C@H](OC(C)(C)C)[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 209465469 BXTAGOHVBJHJCS-BTYIYWSLSA-N 381.472 4.296 30 30 GIEC COc1cc(C(=O)N(CCC#N)[C@@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1OC 3179734 PRDSDQOJTCTJST-DOTOQJQBSA-N 388.508 4.283 30 30 GIEC C=CCOc1nc(Nc2ccc(Nc3ccccc3)cc2)nc(OCC=C)n1 5137915 JWTDUUYINZWIBA-UHFFFAOYSA-N 375.432 4.488 30 30 GIEC O=C(ON=C1CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 254628580 DVJYVUAKYRCLAW-OAHLLOKOSA-N 383.360 4.374 30 30 GIEC C[C@H]1CN(c2ncc(C=NNc3ccc(C(F)(F)F)cc3)s2)C[C@H](C)O1 254304534 HYYWNEZYJFHABR-RYUDHWBXSA-N 384.427 4.222 30 30 GIEC CCN(CC)c1ccc(/C=N/NC(=S)NCc2ccc(OC(C)C)cc2)cc1 12651268 OHNSHDFNXDFXTJ-LFVJCYFKSA-N 398.576 4.318 30 30 GIEC COc1cc(C(=O)N(CCC#N)[C@H]2C[C@H](C)CC(C)(C)C2)cc(OC)c1OC 3179738 PRDSDQOJTCTJST-RDJZCZTQSA-N 388.508 4.283 30 30 GIEC CN(SN(CC#N)c1ccccc1)C(=O)Oc1cccc2c1OC(C)(C)C2 33885097 MBVCFCHEZNAHNP-UHFFFAOYSA-N 383.473 4.424 30 30 GIEC O=C1/C(=C/c2ccc(-c3nnn[nH]3)cc2)[C@H](c2ccccc2)Oc2ccccc21 100223097 QAVWDMZNEFIQHK-DJAVKIJBSA-N 380.407 4.267 30 30 GIEC O=[N+]([O-])c1c(F)c(F)c(-c2c(F)c(F)c([N+](=O)[O-])c(F)c2F)c(F)c1F 111392189 FHSUVJURYZPEIO-UHFFFAOYSA-N 388.126 4.283 30 30 GIEC COc1cc(Br)cc(C=Nc2ccc3nc(C)c(C)nc3c2)c1O 254303899 NATZKSGVHZWXHN-UHFFFAOYSA-N 386.249 4.474 30 30 GIEC O=[N+]([O-])c1cccc(-c2ccc(/C=N/NC(=S)Nc3ccc(F)cc3)o2)c1 1041827 GYCGSWKPRFUJGN-RGVLZGJSSA-N 384.392 4.314 30 30 GIEC CCOC(=O)C1=C(Nc2ccccc2F)S/C(=C\c2ccccc2OC)C1=O 536554702 HSNHKUJOHOOPTH-ATVHPVEESA-N 399.443 4.378 30 30 GIEC N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1 1030554 VMYDCHCICGQOIN-UHFFFAOYSA-N 376.865 4.179 30 30 GIEC COc1ccnc(-n2cccc2C=NOCc2c(F)cccc2Cl)c1C#N 254438639 BSLFCPYXOBGSKJ-UHFFFAOYSA-N 384.798 4.096 30 30 GIEC C[C@H]1CN(c2ncc(C=NNc3ccc(C(F)(F)F)cc3)s2)C[C@@H](C)O1 254304535 HYYWNEZYJFHABR-TXEJJXNPSA-N 384.427 4.222 30 30 GIEC O=C(Nc1ccc(Cl)cc1)ONC(=O)c1ncc(C(F)(F)F)cc1Cl 1039284 NDHFAIPYXUSCHL-UHFFFAOYSA-N 394.136 4.301 30 30 GIEC CC(=O)NC(C)(C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C 2265351440 KIZBOCZDSYPMMT-PTNQBRBISA-N 387.564 4.020 30 30 GIEC N#CCc1ccc(NC(=O)c2ccccc2C(=O)Nc2ccc(CC#N)cc2)cc1 1032809 IZMBELPTRLHIMG-UHFFFAOYSA-N 394.434 4.323 30 30 GIEC CSc1ncc2c(n1)CC(C)(C)C/C2=N/OC(=O)c1ccc(Cl)cc1 4697026 YYUMYFYECOXMDW-JCMHNJIXSA-N 375.881 4.385 30 30 GIEC N#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1 1024244 NJLKDXWITLVCHW-UHFFFAOYSA-N 375.409 4.023 30 30 GIEC O=[N+]([O-])c1ccc(-c2ccc(/C=N/NC(=S)Nc3cccc(F)c3)o2)cc1 1041824 XWYHGSPVUGDYGI-RGVLZGJSSA-N 384.392 4.314 30 30 GIEC CC(C)(C)OC(=O)N1CCC(C#N)(Cc2ccc(F)c(Br)n2)CC1 1565504854 ULSRJWTVPBDSTH-UHFFFAOYSA-N 398.276 4.067 30 30 GIEC C=CC[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1OC(=O)c1ccccc1 39167938 WZIUMQXJHVGCAZ-CTNGQTDRSA-N 379.456 4.447 30 30 GIEC O=C(/C=C/S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 1041326 MTRBKEBYRGILFE-MDZDMXLPSA-N 385.666 4.273 30 30 GIEC C#CC1(NS(=O)(=O)c2ccc(SC(C)(C)C)c([N+](=O)[O-])c2)CCCCC1 4323835 UDBWNKOPNXXVCX-UHFFFAOYSA-N 396.534 4.100 30 30 GIEC CC(=O)NC(C)(C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C 2265351439 KIZBOCZDSYPMMT-CKHBNEIESA-N 387.564 4.020 30 30 GIEC CC(C)(C)c1ccc(C(=O)O/N=C(\N)Cc2ccc(-c3csnn3)cc2)cc1 4389552 RQNJMZYHZHLZTM-UHFFFAOYSA-N 394.500 4.174 30 30 GIEC C=C(C)CNCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl 33872544 RDPFDPOYAIAAQU-UHFFFAOYSA-N 391.298 4.353 30 30 GIEC N#C/C(=N\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccco1 1048643 OHSGCRZIEMNGFE-BHGWPJFGSA-N 375.228 4.492 30 30 GIEC C=CCn1c(COc2c(Br)cc(C)c3c2CCC3)n[nH]c1=S 1043377 DZWBLASOPXXFIW-UHFFFAOYSA-N 380.311 4.265 30 30 GIEC Cc1noc(-c2ccc(Cl)cc2)c1C(=O)O/N=C(\N)c1ccc(Cl)cc1 4394460 RYZQXRJDSAQDSK-UHFFFAOYSA-N 390.226 4.434 30 30 GIEC C=CCSc1nnc(-c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)n1C 2153847 BDJITWCRAXMYTB-UHFFFAOYSA-N 385.512 4.442 30 30 GIEC CCN(CC)c1ccc2cc3c(oc2c1)c(C#N)c(=O)n1c2ccccc2nc31 5139519 UTTFXJZCRVZYQF-UHFFFAOYSA-N 382.423 4.465 30 30 GIEC O=C1NC(=NOCc2ccccc2)SC1=Cc1ccccc1C(F)(F)F 2265271952 OLMUDCIHIRDCAM-UHFFFAOYSA-N 378.375 4.397 30 30 GIEC CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1ccc(Cl)cc1 5130021 VQKFEPSSBNVOMD-ZDUSSCGKSA-N 387.892 4.286 30 30 GIEC CC(=O)C(=CNc1cccc(OC(F)(F)C(F)F)c1)C(=O)Nc1ccccc1 2265279818 IDROVPGFSAOTHL-UHFFFAOYSA-N 396.340 4.447 30 30 GIEC COc1ccc(/C=N/N2C(=O)/C(=C/c3cccs3)N=C2c2ccccc2)cc1 1036482 UENXRZCUPKPCHE-PDIADDBYSA-N 387.464 4.421 30 30 GIEC COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1C=NO 254741234 KAYVCKFGCZSLAN-UHFFFAOYSA-N 387.848 4.272 30 30 GIEC C/C(CS(=O)(=O)c1ccc(Cl)cc1)=N\OC(=O)c1ccccc1Cl 4696993 FRRMYADPWRJGIJ-YBFXNURJSA-N 386.256 4.000 30 30 GIEC CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(C#N)ccc23)cc1 5138674 GNAMSYNRHDVJQM-UHFFFAOYSA-N 388.452 4.375 30 30 GIEC FC(F)(F)c1cc(NC(=S)N/N=C/c2ccccn2)cc(C(F)(F)F)c1 1048206 BTYMNVZPZXXQES-LIMNOBDPSA-N 392.328 4.440 30 30 GIEC CC(=O)c1ccc(C#N)c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 1032006 TZVFCHJQDZFPBY-UHFFFAOYSA-N 380.256 4.193 30 30 GIEC COc1cc(C(=O)N(CCC#N)[C@@H]2C[C@@H](C)CC(C)(C)C2)cc(OC)c1OC 3179736 PRDSDQOJTCTJST-NVXWUHKLSA-N 388.508 4.283 30 30 GIEC CCOC(=O)[C@@H](Cc1ccc(F)cc1)C(=O)CC=NOCc1ccc(C)cc1 2265279487 UKUSFYIOXFHOEV-FQEVSTJZSA-N 385.435 4.018 30 30 GIEC CCOC(=O)[C@@H]1S[C@H](c2ccc(Cl)cc2)[C@@H](C#N)[C@]1(O)c1ccccc1 248288752 IFJQETUKALJECG-FTEYMNFISA-N 387.888 4.087 30 30 GIEC CCOC(=O)CS/C(=N\c1ccccc1)[C@H](C#N)c1nc2ccccc2[nH]1 4334697 UVSOEJPWRWXOMO-BQHWHHKNSA-N 378.457 4.197 30 30 GIEC Cc1nn(-c2ccccc2)c(C)c1C(=O)O/N=C(\N)c1ccc(C(C)(C)C)cc1 4390268 JYSVZNQXRXWPIQ-UHFFFAOYSA-N 390.487 4.264 30 30 GIEC S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@H]21 252428087 PQPOVKWUNMAKIQ-NMUWWSQLSA-N 380.344 4.392 30 30 GIEC O=C(C(=Cc1cccc([N+](=O)[O-])c1)n1cncn1)c1ccc(Cl)cc1Cl 2265279855 ZBNXEWZFINRQKZ-UHFFFAOYSA-N 389.198 4.374 30 30 GIEC CC1(C)CC(=O)C=C(SCCS(=O)(=O)c2ccc(Cl)cc2)S1 1038117 OZTRKYXYEHTYCP-UHFFFAOYSA-N 376.952 4.173 30 30 GIEC Cc1nc(NC(=N)/N=C(\O)Nc2ccc(Cl)cc2)sc1Br 20421224 IDYKXVPPFFXIME-UHFFFAOYSA-N 388.678 4.240 30 30 GIEC C=CCSc1nnc(C)c(C=CNOCc2ccc(Cl)cc2Cl)n1 2265276934 XDDWOXSBZNMMSV-UHFFFAOYSA-N 383.304 4.457 30 30 GIEC CCN(CC)C(=O)[C@@H]1C2=C(C[C@H](c3ccccc3)[C@@H]1C(=O)O)CC(C)(C)CC2=O 607864 FUXLDXFRSJXUQG-JRGCBEDISA-N 397.515 4.045 30 30 GIEC in-man Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)ONC(=O)c1ccccc1 1048120 MPAHPHMNTNKZMP-UHFFFAOYSA-N 391.210 4.459 30 30 GIEC C[C@H](OS(=O)(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2[nH]1 4301691 NHGPSMHUGUACBF-ZETCQYMHSA-N 377.274 4.398 30 30 GIEC CN(C)C=NC(=O)[C@H](c1ccc(F)cc1)c1ccc(C(=O)c2ccccc2)cc1 2265276237 ZSZGBMDULYEKCA-QFIPXVFZSA-N 388.442 4.305 30 30 GIEC O=C(ON=C1C(=O)N(c2ccccc2)c2ccccc21)c1c(F)cccc1F 2265279464 KCBBWHFDXPPNQG-UHFFFAOYSA-N 378.334 4.204 30 30 GIEC CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](OC(C)=O)CC[C@@H]4[C@@H]3C[C@@H]3O[C@@]32C1 2265351677 PTARAGMFTGDAST-XBSZDGLDSA-N 390.520 4.024 30 30 GIEC CCOC(=O)c1ccc(NC(=S)N/N=C/c2c(Cl)cccc2Cl)cc1 1041319 CYMLOLSKYYDXBF-KEBDBYFISA-N 396.299 4.491 30 30 GIEC COc1cc(C(F)(F)F)nc2ccc(C#CCOC(=O)c3ccccc3)cc12 4344931 LZRZXYYAUKPMTF-UHFFFAOYSA-N 385.341 4.471 30 30 GIEC CC(=O)CSc1ccc(OCC(F)(F)F)c(C#N)c1OCC(F)(F)F 1040831 WUWRNFCLVWMROW-UHFFFAOYSA-N 387.301 4.122 30 30 GIEC COc1ccc(O/C(C(=O)O)=C(Cl)\C=N\Nc2ccc(Cl)cc2)cc1 2163198 ZQWNBRWRPDCOPU-KIZNAAHSSA-N 381.215 4.360 30 30 GIEC O=C(/C(Br)=N\Nc1ccc(Br)cc1)c1ccccc1 15444079 QWAIDHUVNWGWNK-NBVRZTHBSA-N 382.055 4.452 30 30 GIEC Cc1ccc(S(=O)(=O)OCC[C@H]2CC[C@H](C(=O)OC(C)(C)C)CC2)cc1 2265364186 SWLAGVNWMXDJFV-QAQDUYKDSA-N 382.522 4.239 30 30 GIEC CCOC(=O)CS/C(=N\c1ccccc1)[C@@H](C#N)c1nc2ccccc2[nH]1 4334696 UVSOEJPWRWXOMO-FOVZNYCQSA-N 378.457 4.197 30 30 GIEC CC1(C)CN(c2ccc(C(=O)CC=NOCc3ccc(Cl)cc3)cc2)C1=O 256080919 MMIKQDLKKGZJFU-UHFFFAOYSA-N 384.863 4.488 30 30 GIEC CCCCCCCCCCCCCOCCOCCOCCOCCO 100310761 XGJLRCKXPUPYKH-UHFFFAOYSA-N 376.578 4.356 30 30 GIEC N/C(=N\OC(=O)c1cccs1)c1cccc(COc2ccc(Cl)cc2)c1 4344794 FLNUGNHASGFTDK-UHFFFAOYSA-N 386.860 4.458 30 30 GIEC CCCCCCCCCCCCN1C(=O)CS(=O)(=O)[C@H]1c1cccnc1 95707557 ADOJQJKBNSUEAO-FQEVSTJZSA-N 380.554 4.258 30 30 GIEC CCOC(=O)CSc1sc(C(=O)OCC)c(-c2cccs2)c1C#N 4349755 VDDNCXIJGOKYOZ-UHFFFAOYSA-N 381.500 4.180 30 30 GIEC C/C(=N\OC(=O)c1cccc(C(F)(F)F)c1)c1csc(-c2ccno2)n1 4710119 ZLJRHXYQLUWPGJ-LSFURLLWSA-N 381.335 4.398 30 30 GIEC O=C(ON=C1CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 254628575 DVJYVUAKYRCLAW-HNNXBMFYSA-N 383.360 4.374 30 30 GIEC COc1cc(/C=N/OC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 1042299 QRXGQRAISQKUQK-AWQFTUOYSA-N 384.215 4.210 30 30 GIEC O=C(/C=C/c1ccccc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1O 38647204 WAGPHWCQZLAVCA-ACCUITESSA-N 379.437 4.089 30 30 GIEC Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC=O)c1nnc(C)n1-2 1857524084 YVZIYJGNGNZVCF-HNNXBMFYSA-N 384.892 4.389 30 30 GIEC CCCCCCCN/C(=C1\C(=O)C(=O)N(c2ccccc2)C1=O)c1ccccc1 100399770 QAWRUKAKJOZSJZ-QZQOTICOSA-N 390.483 4.100 30 30 GIEC OC(C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F 95753538 XPKCRLYGJRILBY-UHFFFAOYSA-N 386.054 4.310 30 30 GIEC CCOC(=O)c1cc(-c2csc(N/N=C/c3ccc(Cl)cc3)n2)on1 4394618 FFDYHBCDAGSHOS-QGMBQPNBSA-N 376.825 4.074 30 30 GIEC CN1N=C(Nc2ccccc2Cl)/C(=N\Nc2ccc(C(F)(F)F)cc2)C1=O 3046391 LVZPHKDECFVBQU-ZVHZXABRSA-N 395.772 4.024 30 30 GIEC O=S(=O)(c1ccccc1)n1ccc(-c2ccc(C#Cc3ccccc3)cc2)n1 1039942 BABBWCCILHLGIR-UHFFFAOYSA-N 384.460 4.187 30 30 GIEC Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc2ccccc2c1 1032565 AAJLIJSPIUKRGM-UHFFFAOYSA-N 384.464 4.482 30 30 GIEC Cc1c(C(=O)Nc2ccccc2)nn(-c2ccc(C(C)(C)C)cc2)c(=N)c1C#N 4400991 AXRDQTPHNBHYMN-UHFFFAOYSA-N 385.471 4.082 30 30 GIEC CCOC(=O)[C@@H]1S[C@H](c2ccc(Cl)cc2)[C@H](C#N)[C@@]1(O)c1ccccc1 102936358 IFJQETUKALJECG-DMUMMCEESA-N 387.888 4.087 30 30 GIEC N#Cc1ccc(/C=N/Nc2ncc(-c3ccc4c(c3)OCCCO4)s2)cc1 4394879 VAHNPGNJZADXDE-FSJBWODESA-N 376.441 4.289 30 30 GIEC C=CCSc1nsc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c1C#N 4335499 VPWCKNLUZDAGKU-UHFFFAOYSA-N 377.472 4.176 30 30 GIEC CC(C)(C)N1C(=O)[C@H](c2ccccc2)S/C1=N\N=C\c1cccc([N+](=O)[O-])c1 13467750 KUSXMUZUXWDLOW-BDDWSSEBSA-N 396.472 4.400 30 30 GIEC N#Cc1ccc(N2CCCN(C(=O)Nc3cc(Cl)cc(Cl)c3)CC2)nc1 19924734 JJZUVFVEVDGVPO-UHFFFAOYSA-N 390.274 4.004 30 30 GIEC CCOC(=O)c1noc(C)c1-c1csc(N/N=C/c2ccccc2Cl)n1 4394528 ZOQRDNHZJDFXCW-UFWORHAWSA-N 390.852 4.383 30 30 GIEC CCOC(=O)c1c(C)c(C#N)c(/N=C/N(C)C)n1-c1ccc(Cl)cc1Cl 4300709 SXWOXYBEMRNWEO-LSHDLFTRSA-N 393.274 4.362 30 30 GIEC C/C(=N\OC(=O)c1ccc(Cl)cc1)c1csc(-c2snnc2C)n1 1047854 IICRNDVSTQSPFV-UFWORHAWSA-N 378.866 4.204 30 30 GIEC CSC(C)(C)/C(=N/Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 3129389 QECMCHFMGNUCKV-FBMGVBCBSA-N 375.406 4.428 30 30 GIEC COCCCN(CCC#N)C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 3126505 LQNBCBJYEOEPTL-UHFFFAOYSA-N 396.274 4.349 30 30 GIEC CCOC(=O)CSc1nc2sccn2c1/C=N/c1ccc(Cl)cc1 1035843 QVNUBXBUJXIRFG-GIJQJNRQSA-N 379.894 4.455 30 30 GIEC COC(=O)c1cccc(/N=C/c2cc(Cl)cc(Cl)c2O)c1C(=O)OC 1026729 QMBCMLATMBAFPI-DNTJNYDQSA-N 382.199 4.023 30 30 GIEC Cc1cc(C)c2c(n1)sc1c(=O)n(/N=C/c3ccc(Cl)cc3)c(C)nc12 4335402 SRVJGDQUCVHAET-ZVBGSRNCSA-N 382.876 4.467 30 30 GIEC C/C(=N\OCC(=O)N=[S@@](C)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 4361617 OGKKUVPWFVWFBP-SUUHDTSPSA-N 378.881 4.073 30 30 GIEC COc1ccc(CCN2C(=O)CS/C2=N\c2ccc(C)cc2C)cc1OC 61966121 WNSSOPHKWZVMBX-DQRAZIAOSA-N 384.501 4.126 30 30 GIEC N/C(COc1ccc(C2SCCS2)cc1)=N/OC(=O)Nc1ccccc1 4394443 XJVQJTAHUYPZCI-UHFFFAOYSA-N 389.502 4.065 30 30 GIEC N/C(=N\OC(=O)Nc1ccccc1)c1nccnc1Sc1ccc(Cl)cc1 4361824 AYHUNGWZUWDHSK-UHFFFAOYSA-N 399.863 4.150 30 30 GIEC COc1ccc(/C(N)=N/OC(=O)c2ccc(Cl)cc2)cc1OC1CCCC1 4364337 KZMGCPISDHCDHC-UHFFFAOYSA-N 388.851 4.147 30 30 GIEC O=C(O)C(Cc1ccccc1)=NNc1nc2ccccc2nc1Cc1ccccc1 254305449 IKZPTSSNSZLPCT-UHFFFAOYSA-N 396.450 4.316 30 30 GIEC C[C@@H](OC(C)(C)C)[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 209465502 BXTAGOHVBJHJCS-VFNWGFHPSA-N 381.472 4.296 30 30 GIEC O=S(=O)(Oc1ccc(N=Cc2ccc3c(c2)OCO3)cc1)c1ccc(F)cc1 254702910 IGGCVADTJVBJRR-UHFFFAOYSA-N 399.399 4.073 30 30 GIEC CC(=O)OCCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 5138036 QLRDACXDRLGLOC-QURGRASLSA-N 381.392 4.293 30 30 GIEC CCCCCCCCCCCCN1C(=O)CS(=O)(=O)[C@@H]1c1cccnc1 95707560 ADOJQJKBNSUEAO-HXUWFJFHSA-N 380.554 4.258 30 30 GIEC C[C@H](NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 200458128 FVCJFSZQVPBGTE-LBPRGKRZSA-N 381.709 4.225 30 30 GIEC CCOC(=O)c1cnn(-c2nc(-c3ccc(C#N)cc3)cs2)c1C(F)(F)F 4394870 CQMNURLPFNISNS-UHFFFAOYSA-N 392.362 4.063 30 30 GIEC O=C(/C(=N/Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccccc1 95628202 SCSWKOOPJHDAPP-ATJXCDBQSA-N 398.871 4.422 30 30 GIEC CCOC(=O)COc1nc(-c2ccc(Cl)cc2)cc(-c2ccco2)c1C#N 1034709 WOVXWWDDZZKSSG-UHFFFAOYSA-N 382.803 4.476 30 30 GIEC FC(F)(I)C(F)(F)O[C@@](F)(Cl)C(F)(F)Cl 33609281 MAWWERMLNIJXTR-UWTATZPHSA-N 394.839 4.317 30 30 GIEC CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1C1CCCCC1 38464988 GXAKUDFZGVEXGU-INIZCTEOSA-N 378.266 4.146 30 30 GIEC Cc1cc([C@]2(c3cc(C)c(O)c(C)c3)OS(=O)(=O)c3ccccc32)ccc1O 44075851 KRLYZEGKINKKSZ-JOCHJYFZSA-N 396.464 4.034 30 30 GIEC in-vitro CCN(CC)CC#CC(C)(C)OC(=O)[C@](O)(c1ccccc1)C1CCCCC1 5846274 DMEPDNFRHUGNPT-DEOSSOPVSA-N 385.548 4.122 30 30 GIEC in-man C=CCNC(=O)CSc1nccc(-c2sc3scc(C)c3c2C)n1 2152607 WSDBPXWXSJUBMJ-UHFFFAOYSA-N 375.544 4.431 30 30 GIEC CCOC(=O)c1cncc(C#CCOC(=O)Nc2cc(Cl)cc(Cl)c2)c1 3118981 RKRHYRUSSKGVNX-UHFFFAOYSA-N 393.226 4.165 30 30 GIEC C[C@H](OC(C)(C)C)[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 209465425 BXTAGOHVBJHJCS-YCRPNKLZSA-N 381.472 4.296 30 30 GIEC CSc1sc(-c2ccnc(SCC(N)=O)n2)c(-c2ccccc2)c1C#N 2154166 BRCVCLOLUMONFK-UHFFFAOYSA-N 398.538 4.043 30 30 GIEC Clc1ccc(-c2csc(N/N=C\c3n[nH]cc3Br)n2)cc1 66343673 IEPVVYJWLULXHF-FMQZQXMHSA-N 382.674 4.395 30 30 GIEC CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1ccc(Cl)cc1 5130022 VQKFEPSSBNVOMD-CYBMUJFWSA-N 387.892 4.286 30 30 GIEC FC(F)(I)C(F)(F)O[C@](F)(Cl)C(F)(F)Cl 33609279 MAWWERMLNIJXTR-REOHCLBHSA-N 394.839 4.317 30 30 GIEC CC(C)c1ccc(S(=O)(=O)/N=C(\N)CSc2ccc(Cl)cc2)cc1 20413255 BWGNCTGWDZZGNE-UHFFFAOYSA-N 382.938 4.302 30 30 GIEC COc1cc(/C=N/N=C/c2cc(Cl)cc(Cl)c2O)cc(OC)c1OC 2158976 OSZIWTPSBXKEKY-IYJUZEOBSA-N 383.231 4.178 30 30 GIEC C=C(C)C(=O)Oc1ccc(Br)c(Br)c1Br 33506970 ZSVFYHKZQNDJEV-UHFFFAOYSA-N 398.876 4.456 30 30 GIEC CCN(CC)C(=O)[C@@H]1C2=C(C[C@@H](c3ccccc3)[C@@H]1C(=O)O)CC(C)(C)CC2=O 5561477 FUXLDXFRSJXUQG-DZFGPLHGSA-N 397.515 4.045 30 30 GIEC in-man Cc1c(/N=N/c2cccc(Br)c2)c(O)n(C(C)C)c(=O)c1C#N 39871500 GNHARKPHRBFQIE-FMQUCBEESA-N 375.226 4.493 30 30 GIEC CCN(CC)CCO/N=C(\C)c1ccc(NC(=O)c2cccnc2Cl)cc1 38802377 NORZPLOJGNKPSU-BUVRLJJBSA-N 388.899 4.070 30 30 GIEC ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@H]([C@@H]3[C@@]1(Cl)C2(Cl)Cl)[C@H]1O[C@H]41 238791482 DFBKLUNHFCTMDC-JMWULLFGSA-N 380.913 4.481 30 30 GIEC COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1Cl 1030508 XGMRVFSUVMUNCX-INIZCTEOSA-N 399.796 4.500 30 30 GIEC CCOC(=O)c1c(C)nn(-c2ccc(/N=C\c3ccc(OC)cc3)cc2)c1C 1043611 LNYSGZVIDFRQDE-UCQKPKSFSA-N 377.444 4.425 30 30 GIEC CSc1ncc2c(n1)CC(C)(C)C/C2=N\OC(=O)c1ccccc1Cl 1038380 HALYBOMJNCJBCO-PXLXIMEGSA-N 375.881 4.385 30 30 GIEC N/C(=N\OC(=O)c1ccc(C#Cc2ccccc2)o1)c1cccc(C(F)(F)F)c1 4363325 IIXOKOKZNIEKHN-UHFFFAOYSA-N 398.340 4.176 30 30 GIEC Cc1nccc(-c2cccc(N/N=C(\C#N)C(=O)c3ccc(Cl)cc3)c2)n1 1037667 IEMUSDOCZXLHBG-LGUFXXKBSA-N 375.819 4.280 30 30 GIEC CCOC(=O)[C@@H]1S[C@H](c2ccc(Cl)cc2)[C@@H](C#N)[C@@]1(O)c1ccccc1 13465998 IFJQETUKALJECG-XSYGEPLQSA-N 387.888 4.087 30 30 GIEC CC(=O)O/N=C1/C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21 1401186 FYDNEGZPIGZJST-LTGZKZEYSA-N 397.645 4.461 30 30 GIEC CN(/N=C1\CCCc2occ(C(=O)O)c21)c1ncc(Cl)cc1C(F)(F)F 4389877 APYLFPTZCHTVDN-SSDVNMTOSA-N 387.745 4.222 30 30 GIEC COc1cccc(C(=O)ON=C(C)c2sc3nc4ccccc4n3c2C)c1 254565547 BGVCOTNITXPSGB-UHFFFAOYSA-N 379.441 4.447 30 30 GIEC CCOc1ccc(-c2csc(C(=O)OC)c2N=CN(C)C)cc1OCC 1080680519 PLKWMNOCDRWBMN-UHFFFAOYSA-N 376.478 4.221 30 30 GIEC CC(=O)NC(C)(C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 2265351442 KIZBOCZDSYPMMT-ZOSNMPELSA-N 387.564 4.020 30 30 GIEC CCOc1ccc(C(=O)C=CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 2265272053 MJHCZBCIAIRCHF-UHFFFAOYSA-N 379.334 4.362 30 30 GIEC CCOC(=O)N1C/C(=C/c2ccccc2F)C(=O)/C(=C\c2ccccc2F)C1 208287664 FPAYMMBGZTYNSI-WHYMJUELSA-N 383.394 4.473 30 30 GIEC N#CCCN(CCO)c1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1 111398604 LVDNXHCLMAIUDS-QURGRASLSA-N 396.432 4.332 30 30 GIEC CC(C)(C1CCC(OC(=O)CS)CC1)C1CCC(OC(=O)CS)CC1 5138231 ZTFAPZCGOKGJRX-UHFFFAOYSA-N 388.595 4.076 30 30 GIEC CCOC(=O)C1=C(Nc2ccc(F)cc2)S/C(=C\c2ccccc2OC)C1=O 536554705 QTKUMWROWGTGMA-ATVHPVEESA-N 399.443 4.378 30 30 GIEC CC(=O)NC(C)(C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2265351441 KIZBOCZDSYPMMT-UCOMIQQPSA-N 387.564 4.020 30 30 GIEC C=CCc1c(C)nc(SCC(=O)C(C)(C)C)nc1OC(=O)N(CC)CC 1044695 ZYZWEVBQLRZCCH-UHFFFAOYSA-N 379.526 4.061 30 30 GIEC O=[N+]([O-])c1ccc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)s1 1033177 HWIPMRQRMIGLLO-KEBDBYFISA-N 385.367 4.262 30 30 GIEC COc1ccc(CCN2C(=O)CS/C2=N\c2c(C)cccc2C)cc1OC 1041895 YSAMYMSIUJSOOM-DQRAZIAOSA-N 384.501 4.126 30 30 GIEC CC(C)(C)C(COc1ccccc1[N+](=O)[O-])=NOC(=O)NC1CCCCC1 263627948 ZKXCPDSAWCNDGO-UHFFFAOYSA-N 377.441 4.435 30 30 GIEC CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1C1CCCCC1 38464987 GXAKUDFZGVEXGU-MRXNPFEDSA-N 378.266 4.146 30 30 GIEC N#C/C(=N\Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 2151210 DVRDSAAXYDHCEI-XSFVSMFZSA-N 388.663 4.370 30 30 GIEC Cc1c(C(=O)O/N=C(\N)c2ccc(OC(F)(F)F)cc2)oc2ccccc12 4336073 AIBMGMUOOSTIHB-UHFFFAOYSA-N 378.306 4.117 30 30 GIEC C[C@@H](OS(=O)(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2[nH]1 4301693 NHGPSMHUGUACBF-SSDOTTSWSA-N 377.274 4.398 30 30 GIEC O=C1/C(=C/c2ccc(-c3nnn[nH]3)cc2)[C@@H](c2ccccc2)Oc2ccccc21 100223095 QAVWDMZNEFIQHK-PZNLSKEWSA-N 380.407 4.267 30 30 GIEC CCOc1ccc(/C=N/NC(=S)Nc2cc(OC)c(Cl)cc2OC)cc1 1048195 GLPQAIQRACCHCP-RGVLZGJSSA-N 393.896 4.076 30 30 GIEC O=S(=O)(c1ccccc1)n1ccc(-c2ccc(C#Cc3ccccc3)s2)n1 4362665 TVVPKLIEYKXKKD-UHFFFAOYSA-N 390.489 4.248 30 30 GIEC CC(=O)OC1=C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 299803267 FBBCFUJOPILASK-NUGQTKNSSA-N 386.488 4.117 30 30 GIEC N#CC1(Cc2ccc(Br)cc2I)CCC1 205460579 JWZWLDXQQIXEMF-UHFFFAOYSA-N 376.035 4.290 30 30 GIEC CCOC(=O)c1cc(-c2csc(N/N=C/c3ccccc3Cl)n2)on1 4394617 GSDZLUMHZKOECN-QGMBQPNBSA-N 376.825 4.074 30 30 GIEC CC(C)(O)C#Cc1ccc(/C=N/Nc2ncc(Cl)cc2C(F)(F)F)cc1 4363129 BDPBKTSKALQNDV-YSURURNPSA-N 381.785 4.322 30 30 GIEC CCCCCCCCCCCCN1CCOCCOCCOCCOCC1 111890228 PTQYCIMKWDCVIP-UHFFFAOYSA-N 387.605 4.289 30 30 GIEC O=C(NC(=S)Nc1ccccc1Cl)c1cncc(C#Cc2ccccc2)c1 1040169 KSMMWXRGHOLDPG-UHFFFAOYSA-N 391.883 4.262 30 30 GIEC CON=CCc1snc(Sc2ncc(C(F)(F)F)cc2Cl)c1C#N 254736015 DBEUQFFXDQVMNJ-UHFFFAOYSA-N 392.815 4.408 30 30 GIEC COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1Cl 1030507 XGMRVFSUVMUNCX-MRXNPFEDSA-N 399.796 4.500 30 30 GIEC