smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 4295720 SSGGBXKBBKIBNN-AWQFTUOYSA-N 396.230 3.099 50 50 GGGA O=C(NNC(=S)Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCO2 1119331 GQKVGZDNNMSKHE-UHFFFAOYSA-N 384.244 3.354 50 50 GGGA CCNC(=S)NNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 8684274 MJRMHIGKPHYMAU-UHFFFAOYSA-N 380.473 3.039 50 50 GGGA CCOC(=O)/C(C#N)=C(\O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 13125045 OGBMUWVBBNUUKA-MSUUIHNZSA-N 381.344 3.203 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccc(OC)cc2)nnc1-c1ccccc1 2597492 AOYRVDABXCKDHN-FYJGNVAPSA-N 395.488 3.216 50 50 GGGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 4229132 RUUQJWMXJJPHRE-FSJBWODESA-N 377.444 3.489 50 50 GGGA O=C(NNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(F)cc1F 2855753 XUSISMMMPMJPRW-UHFFFAOYSA-N 377.372 3.133 50 50 GGGA COc1ccc(OC)c(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c1 694825 RUGAGUGIONZSCW-WSDLNYQXSA-N 398.850 3.366 50 50 GGGA Cc1ccc(OCC(=O)N/N=C/c2ccc(I)o2)cc1C 1207936 HNXYTJKDRJKEBO-CAOOACKPSA-N 398.200 3.030 50 50 GGGA C#CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 2838602 JYNZZBHEQCTCGE-KRWDZBQOSA-N 399.244 3.276 50 50 GGGA O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(OCc2ccccc2)cc1 4599941 NHJJZAYYQXGJGF-OEAKJJBVSA-N 385.427 3.161 50 50 GGGA CCCc1n[nH]c2c1[C@H](c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2 5564107 JHGJCBBDIBIKPL-QGZVFWFLSA-N 390.399 3.393 50 50 GGGA C[C@@H](Cl)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 1875363698 SGDABYMTLMUVQU-AUUYWEPGSA-N 388.870 3.065 50 50 GGGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc2c(c1)OCO2 102294202 QOSQTQACTVAJHI-LPYMAVHISA-N 375.469 3.122 50 50 GGGA CCCCCn1c(=O)c(C(=O)N/N=C/c2ccccn2)c(O)c2ccccc21 100174105 IKDAZGJLGLUGKV-OEAKJJBVSA-N 378.432 3.056 50 50 GGGA COc1ccc([C@@H]2C(C#N)=C(N)N3C(=O)c4ccccc4SC3=C2C#N)cc1 4753632 VEUCGSKEFFGZGI-GOSISDBHSA-N 386.436 3.470 50 50 GGGA CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1 2543884 PDFGIEGHVBRKRS-HYARGMPZSA-N 386.448 3.499 50 50 GGGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2csc(C)c2)s1 6708520 VYFGRXWZASLHGP-UHFFFAOYSA-N 383.520 3.098 50 50 GGGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Br 1227943 IFAGEZZGTNPZPF-OAHLLOKOSA-N 375.222 3.272 50 50 GGGA Cc1cc(C)nc(S[C@@H](C)C(=O)N/N=C/c2ccc(Br)cc2)n1 1193136 VXFHLPITPCLDRF-BEAUZRKQSA-N 393.310 3.487 50 50 GGGA N#CCCn1cc(/C=N/NC(=O)c2ccncc2)c(-c2ccc(Cl)cc2)n1 2824958 MSADCNRQSZZNBW-FSJBWODESA-N 378.823 3.276 50 50 GGGA CCOc1ccc(Br)cc1C1C(C#N)=C(N)SC(N)=C1C#N 20072954 BIPYJSZSMBUPIQ-UHFFFAOYSA-N 377.267 3.066 50 50 GGGA O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccccn1 1213764 XQMJGQUKCMEYAI-REZTVBANSA-N 399.042 3.076 50 50 GGGA COCCCNC(=S)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1 2856161 GWWJNTTUGKIIFO-QGZVFWFLSA-N 389.546 3.052 50 50 GGGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(O)cc1O 2553065 CHPVDHGNVKJERS-VXLYETTFSA-N 391.221 3.189 50 50 GGGA COc1cccc(C(=O)N/N=C\c2ccc(OC)c(CN3CCSCC3)c2)c1 32573541 OLPORDHUHQLVKR-HMAPJEAMSA-N 399.516 3.017 50 50 GGGA CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OC)c(C)c2OC)C(C#N)=C(N)O1 729277 BHVXBUSDYVYTHK-KRWDZBQOSA-N 386.448 3.437 50 50 GGGA COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)cc2c1OCO2 8566107 BONZVIWKSZCHRS-AWEZNQCLSA-N 394.412 3.094 50 50 GGGA Cc1c(/C=N/NC(=O)[C@@H]2CCCCO2)c2ccccn2c1CCc1ccncc1 1875265729 ZGNPANCBGBMHKH-LWROZRRASA-N 390.487 3.447 50 50 GGGA CCc1c(C(=O)NCCSSCCC(=O)O)cnn1-c1ccccc1C 1875388486 CRLMQPSFIMZACT-UHFFFAOYSA-N 393.534 3.329 50 50 GGGA COc1cc(/C=N/NC(=O)C[C@@H]2C(C)=NN=C2O)ccc1OCc1ccccc1 16971824 UALDXLQPOFBTOS-ORWNMUSCSA-N 394.431 3.077 50 50 GGGA O=C(O)COc1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1 1191677 SHMSSMCDAABBTB-AWQFTUOYSA-N 392.864 3.187 50 50 GGGA O=C(NNS(=O)(=O)c1ccccc1)c1cc2cc3ccccc3nc2s1 1399206 HETALHKHOFRYHD-UHFFFAOYSA-N 383.454 3.073 50 50 GGGA Cc1cc(-c2n[nH]c3c2[C@]2(C(=O)Nc4ccccc42)C(C#N)=C(N)O3)c(C)s1 5130383 NSPALQARYPMKDZ-HXUWFJFHSA-N 389.440 3.080 50 50 GGGA CCCCCCn1c(=O)c(C(=O)N/N=C/c2cccnc2)c(O)c2ccccc21 100730141 IUUGBEMDLYPDBO-BUVRLJJBSA-N 392.459 3.446 50 50 GGGA CC(C)(C)c1nc(CC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)CCl)cs1 1875384471 QGWQGYWUWPFNPY-TZMCWYRMSA-N 385.961 3.013 50 50 GGGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1cccs1 22920738 HGGLOFLXEHQDLX-RCCKNPSSSA-N 390.940 3.060 50 50 GGGA COCCCOc1ccc(C(=O)NNc2nc3ccc(OC)cc3cc2C)cn1 272567188 YKGPYKWHCXPWOC-UHFFFAOYSA-N 396.447 3.119 50 50 GGGA O=C(N/N=C/c1ccccc1O)/C(=C\c1cccs1)NC(=O)c1ccccc1 2940837 CMLSZRNFANOPNR-NIUVQHNQSA-N 391.452 3.375 50 50 GGGA Cc1ccc(C(=O)N/N=C2\C(=O)N(C)c3c(C)cc(Br)cc32)cc1 100260279 LBCBMEPBOVIQEM-HKWRFOASSA-N 386.249 3.176 50 50 GGGA Cc1ccc(C(=O)N/N=C2\C(=O)N(C)c3c(Br)cc(C)cc32)cc1 18207166 MTDHMCSMTJCAGJ-HKWRFOASSA-N 386.249 3.176 50 50 GGGA C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1ccc([N+](=O)[O-])cc1 5296793 XVUBHCNAGMHQKW-CIAFOILYSA-N 375.388 3.238 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@@H]2C1 4730561 FIBCZOKUUCHZNF-IEBWSBKVSA-N 377.879 3.475 50 50 GGGA CCCCCCC(=O)NNC(=S)Nc1sc2c(c1C(=O)OC)CCC2 6635144 WVUFOROAZJBFBR-UHFFFAOYSA-N 383.539 3.311 50 50 GGGA C=C(C)Cn1c(SCC(=O)N/N=C/c2ccccc2)nc2ccccc2c1=O 799240 CNPDHTGZJHUMHH-WSDLNYQXSA-N 392.484 3.215 50 50 GGGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 2543026 VVQKIFQWRLWNDM-BUVRLJJBSA-N 389.411 3.463 50 50 GGGA Cn1c(SCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc21 8683444 NSKPVIWWYIXTDV-HOGMWEGNSA-N 395.444 3.389 50 50 GGGA Cc1cccc(C2(C(=O)NNC(=O)[C@H]3Cc4ccccc4O3)CCCCC2)c1 748274387 SUUSULLMVRTTDH-HXUWFJFHSA-N 378.472 3.348 50 50 GGGA Cc1c(Br)c(C(=O)N/N=C/c2c(O)ccc3ccccc23)nn1C 679824 VZMWEVJCADCLRO-DJKKODMXSA-N 387.237 3.114 50 50 GGGA CCN(CC)C(=O)Nc1ccc(C(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1 34828285 XEBSXSUNDZAMFY-HMAPJEAMSA-N 398.463 3.341 50 50 GGGA O=C(CCl)NC1CC2(CCCCN2C(=O)[C@H]2Cc3c(Cl)cccc32)C1 1875383534 YBEODCMJRPWAKK-IHBYNMNLSA-N 381.303 3.248 50 50 GGGA Cn1nncc1CN(Cc1ccc(-c2ccccc2F)s1)C(=O)CCl 1875384050 KOWRLHDKYVPQHF-UHFFFAOYSA-N 378.860 3.450 50 50 GGGA CN(C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl)c1cccnc1 225509169 ANQXOSADXQVPSM-UHFFFAOYSA-N 385.276 3.358 50 50 GGGA CC(=O)[C@H](C(=O)Nc1ccc(C)cc1)[C@@H]1C(=O)c2ccccc2C(=O)[C@@H]1Cl 100742370 FGKNCAPISWXPGB-OKZBNKHCSA-N 383.831 3.442 50 50 GGGA COC(=O)c1ccc2c(c1)N(C(=O)CCl)C(=O)/C2=C(/OC)c1ccccc1 115963009 SGESEGRPYLHYDV-ISLYRVAYSA-N 385.803 3.100 50 50 GGGA C[C@]12C[C@H](O)[C@H](Br)C[C@]1(C)C2(Br)Br 104291107 UNNVKMAHOLSSIG-KVPKETBZSA-N 376.914 3.417 50 50 GGGA O=C(CCl)NCc1ccc(CNC(=O)[C@H]2CCc3cc(F)ccc32)c(F)c1 1875383776 DTRDJNHWQSNNCF-KRWDZBQOSA-N 392.833 3.166 50 50 GGGA O=C(O)CCSSCCNC(=O)c1cccc(Oc2ccncc2)c1 1875388899 UUYHJVUCVVQMCG-UHFFFAOYSA-N 378.475 3.460 50 50 GGGA CC(C)Cn1cc(C(=O)NCCSSCCC(=O)O)c(C(F)F)n1 1875388788 QCDKJNSSXKUJGR-UHFFFAOYSA-N 381.470 3.063 50 50 GGGA CCOc1ccc(N[C@H](C)C(=O)NN=C(C)c2ccc(OC)cc2OC)cc1 252428141 QZBUTBWYYQQHAD-OAHLLOKOSA-N 385.464 3.443 50 50 GGGA Cc1ccc2c(c1Br)/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)C(=O)N2 100315891 MOAQMRZCMWOVNR-QWHCGFSZSA-N 398.260 3.334 50 50 GGGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)c1 4229932 PCFFMCXNMLUVPJ-MFKUBSTISA-N 387.439 3.285 50 50 GGGA O=C(CN1C(=O)CCCc2ccccc21)NNc1c(F)cc(Cl)cc1F 2325736535 ZXCGYKDWOJVEAC-UHFFFAOYSA-N 379.794 3.431 50 50 GGGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)ccc1OCC#N 2799107 LUWALZJXYNPMKP-MRXNPFEDSA-N 388.221 3.022 50 50 GGGA O=C(CCl)NC[C@H]1CC[C@H](NC(=O)c2cc(C(F)F)ccc2F)CC1 1875382982 ANAJKDFTLLENJS-UMSPYCQHSA-N 376.806 3.407 50 50 GGGA O=C(CCl)NC[C@@H](NC(=O)c1nocc1-c1ccccc1)C1CCCCC1 1875384873 XWUXDCNQVJQTNV-QGZVFWFLSA-N 389.883 3.375 50 50 GGGA CCCOc1ccc(C(=O)NNC(=O)c2ccc3cc(C)cn3c2)cc1OC 225807612 OUTJUWRRISXHFE-UHFFFAOYSA-N 381.432 3.120 50 50 GGGA COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cc(OC)c(O)c(OC)c1 4751339 PSAPDXIKPNGSSO-GOSISDBHSA-N 396.399 3.164 50 50 GGGA NC(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1 2520075 FZVOXOFDONVSRS-ZTXDFWGGSA-N 388.221 3.070 50 50 GGGA O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1CNNC(=O)Nc1ccccc1 100799721 RJNDVCNWVBWHLY-IPBOWWOCSA-N 387.480 3.308 50 50 GGGA in-vivo COc1ccc(-c2ccc(/C=C(\C#N)c3n[nH]c(N)c3C#N)o2)c([N+](=O)[O-])c1 5034140 AEFYPRYETBAGRP-UXBLZVDNSA-N 376.332 3.105 50 50 GGGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)cc3OC)[nH]n2)cc1 5615661 ZJPQLELCJCRXIX-LPYMAVHISA-N 394.431 3.257 50 50 GGGA O=C(O)CCSSCCNC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl 1875388766 POHPLZHFUQVPSZ-AWEZNQCLSA-N 394.345 3.474 50 50 GGGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1cccc(I)c1 1051143 AMECHKAAVNHNBQ-OAHLLOKOSA-N 389.196 3.092 50 50 GGGA Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239046935 FZXKEKPUTZRFRZ-CQSLXQFASA-N 384.657 3.158 50 50 GGGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@H]1c1cccnc1 5593702 LZZWYMFFLSNYGY-AWEZNQCLSA-N 394.232 3.452 50 50 GGGA O=C(CCl)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccn(C2CCCCC2)n1 1875383672 BUZBMWKYGPUHGA-GOEBONIOSA-N 380.920 3.032 50 50 GGGA CC(=O)c1cccc(NC(=S)NNC(=O)CSCc2ccc(C)cc2)c1 6400709 AWNGLUHDHOJARO-UHFFFAOYSA-N 387.530 3.449 50 50 GGGA N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc(S(N)(=O)=O)cc1 6828625 OALJCHCJZYSRPS-DHZHZOJOSA-N 396.255 3.186 50 50 GGGA COc1ccccc1/C=C1\SC(=S)N(CC(=O)NNc2ccccc2)C1=O 13573518 DYPIDZDKVLAFNW-WJDWOHSUSA-N 399.497 3.040 50 50 GGGA COc1ccccc1[C@@H](C)CC(=O)N1CCC(CCNC(=O)CCl)CC1 1875384594 UPEJMNPJMGNQFC-HNNXBMFYSA-N 380.916 3.173 50 50 GGGA O=C(CCl)N[C@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)s2)C12CCC2 1875383928 HJPMWMPEPUIFJV-UWVGGRQHSA-N 380.819 3.163 50 50 GGGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 35183023 SCZCVVZJNYLHEX-XMOVILSBSA-N 379.372 3.371 50 50 GGGA Cc1nc(C)c(C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)o1 1875383623 AUNRSFHNVDDIIZ-KRWDZBQOSA-N 385.851 3.271 50 50 GGGA O=C(COc1cccc(Cl)c1Cl)NNC(=S)NC1CCCCC1 2550053 VPGGYKYNWZGSJQ-UHFFFAOYSA-N 376.309 3.200 50 50 GGGA N#C/C(=C/c1ccc(COc2ccc(C#N)cc2)o1)C(=O)NCc1ccncc1 17078424 XLSJHNUWWAMNTF-WQRHYEAKSA-N 384.395 3.349 50 50 GGGA Cc1ccc(C(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)cn1 18125817 XXXGFNRGJBFPRO-NJNXFGOHSA-N 384.439 3.113 50 50 GGGA Cc1nc2ccc(C(=O)N[C@@H]3C[C@@H](NC(=O)CCl)C34CCC4)cc2s1 1875383933 HKAFHUYZULGIRA-HUUCEWRRSA-N 377.897 3.001 50 50 GGGA Cc1oc(C(C)C)nc1C(=O)NCc1ccc(CNC(=O)CCl)cc1F 1875383860 FYDHBUOAZPJCOR-UHFFFAOYSA-N 381.835 3.031 50 50 GGGA Cn1nnc2c(CN(CCc3ccc(Cl)cc3)C(=O)CCl)cccc21 1875384485 QNBBMXNMJOXDTE-UHFFFAOYSA-N 377.275 3.432 50 50 GGGA CCc1sc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)cc1Br 792568 SJSXWMUFKLRKCO-ZDUSSCGKSA-N 383.267 3.328 50 50 GGGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC)c(OC)c1 102293568 PYWQOSQKOJOPCA-HZHRSRAPSA-N 391.512 3.411 50 50 GGGA Cc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1Cl 239165303 NXCCJOCNSXHYLU-IFLCCBJRSA-N 384.657 3.158 50 50 GGGA O=C(Cc1nsc2ccccc12)NC[C@H](NC(=O)CCl)c1ccccc1 1875384070 KZCHJHWKQVHRPI-INIZCTEOSA-N 387.892 3.051 50 50 GGGA O=C(N/N=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520277 DDYJFDZSGFGDFI-HZHRSRAPSA-N 386.411 3.028 50 50 GGGA CC(C)(Cc1ccc(O)cc1)NC(=O)CC(=O)N/N=C/c1ccc(Cl)cc1 2954755 UDKWFLLIUHPZNI-LPYMAVHISA-N 387.867 3.023 50 50 GGGA CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(OC)c2)c1 5059113 YXHYQZHYZKZKRS-DHDCSXOGSA-N 396.399 3.103 50 50 GGGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccccc1C(F)(F)F 4209744 BFDOQLSUEPGDSD-NUGSKGIGSA-N 383.757 3.239 50 50 GGGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)cc2)c1 4302612 YXUGAJLOQGRVQE-SGSZHJQISA-N 388.423 3.398 50 50 GGGA CN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2)c2cc(Br)ccc21 5648767 LWNOPRZMZXRVDI-RGEXLXHISA-N 392.640 3.213 50 50 GGGA CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 714337 PHWAKSNEUKZFMY-CQSZACIVSA-N 375.226 3.098 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nc2ccccc21 4888946 AHRCYIBVMWPNJH-YBFXNURJSA-N 383.433 3.207 50 50 GGGA Cc1scc(C(=O)NNC(=S)NC[C@H]2CCCO2)c1-c1ccccc1 8684217 DQWDMCWMDQSIFY-CQSZACIVSA-N 375.519 3.011 50 50 GGGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 38179162 DVIYVFZJNJTMLW-CIAFOILYSA-N 378.388 3.472 50 50 GGGA O=C(N/N=C\c1cccc2ccccc12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4459467 YTOZJVVCQPPNFS-GHRPQRKGSA-N 375.403 3.482 50 50 GGGA C[C@H](Cl)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 1875363699 SGDABYMTLMUVQU-IFXJQAMLSA-N 388.870 3.065 50 50 GGGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1 17145883 UZSWWTNZCARJAT-SRZZPIQSSA-N 382.807 3.281 50 50 GGGA O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1CC[N+](=O)[O-] 4090790 NOTJTTDEWJEMFT-UHFFFAOYSA-N 388.733 3.330 50 50 GGGA CC(C)(C)C(=O)NNC(=O)COc1ccc2ccccc2c1Br 4810972 UBDRJHGRSGICKV-UHFFFAOYSA-N 379.254 3.175 50 50 GGGA CC(C)C(=O)c1ccc([C@H](C)C(=O)NNc2nc(-c3ccncc3)no2)cc1 374826177 FBPRWNWFSWBYRQ-ZDUSSCGKSA-N 379.420 3.217 50 50 GGGA COCCCNC(=S)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 2856162 GWWJNTTUGKIIFO-KRWDZBQOSA-N 389.546 3.052 50 50 GGGA COc1ccc(C(=O)NN(C)c2nc3ccccc3nc2C(F)(F)F)cc1 5342986 CRZSHNSTAVYLBP-UHFFFAOYSA-N 376.338 3.438 50 50 GGGA COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2O)c(OC)c1OC 6181701 FYXHYGWGWKWRHG-WSDLNYQXSA-N 380.400 3.335 50 50 GGGA N#Cc1c(NC(=O)C(=O)N/N=C/c2c[nH]c3ccccc23)sc2c1CCCC2 4210043 SGMVXKBBILCLTA-FOKLQQMPSA-N 391.456 3.069 50 50 GGGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1OC 1474999 WEKWCOJXYBGZIN-CIAFOILYSA-N 398.488 3.223 50 50 GGGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)c(C)s1 1022107 NOOGUMFYSXYJEL-ZDUSSCGKSA-N 383.267 3.464 50 50 GGGA CC1(C)C[C@@H](NC(=O)C(Cl)Cl)C[C@@](C)(CNC(=O)C(Cl)Cl)C1 695837 QDZKVAGCIPOBRA-XLKFXECMSA-N 392.154 3.411 50 50 GGGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(SC)cc3)[C@@H]2C1 5488741 GGBSXWZQGOBIFI-RTBURBONSA-N 375.501 3.154 50 50 GGGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl 4295666 PZKKUJFUTVDCOH-KEBDBYFISA-N 380.231 3.481 50 50 GGGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(Br)cc1 752561 NEQCPFZJRKJIFO-CQSZACIVSA-N 377.238 3.484 50 50 GGGA Cc1cccc(C(=O)N[C@@H](C)C(=O)NNc2ccc(Br)c(C)c2)c1 114888321 CYQIUICZPQRSPD-ZDUSSCGKSA-N 390.281 3.328 50 50 GGGA COc1cc(C(=O)NN=Cc2ccc(Br)cc2)cc(OC)c1OC 254842996 RCMJIYYXJOWOOP-UHFFFAOYSA-N 393.237 3.239 50 50 GGGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 4282294 UOHPLVVAOVSDDA-YDZHTSKRSA-N 387.867 3.399 50 50 GGGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)cc1O 4419026 FSCGDDROHDFZJQ-HXPMCKFVSA-N 378.384 3.202 50 50 GGGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@H]1c1ccc(F)cc1)S(=O)(=O)CC2 1429886 YWJJUSSXWRJFBZ-SFHVURJKSA-N 399.422 3.293 50 50 GGGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1 4593332 GPDXFMLWAJFHNE-AWEZNQCLSA-N 385.401 3.360 50 50 GGGA C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1cccc([N+](=O)[O-])c1 5009427 YUUOHVCMUSBIOU-CIAFOILYSA-N 375.388 3.238 50 50 GGGA Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc2ccccc2c1O 722644 LPPKBLUEUBYUCX-UHFFFAOYSA-N 384.819 3.347 50 50 GGGA COc1ccc(N([C@@H](C)C(=O)NN=C2CCCCCCC2)S(C)(=O)=O)cc1 1191601 RHTHFJHPYUVKQS-HNNXBMFYSA-N 395.525 3.066 50 50 GGGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)cc1 868000 MLOGTTODJOWWOO-DJKKODMXSA-N 388.836 3.342 50 50 GGGA Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3nccs3)=C2C#N)cc1 9013990 LOQIRQHGJVGIEL-CYBMUJFWSA-N 384.486 3.162 50 50 GGGA Cc1cccc(-n2cnc(C(=O)N/N=C\c3ccc(Br)cc3)c2)n1 29763961 UDLPBLDQBHMFPO-UKWGHVSLSA-N 384.237 3.102 50 50 GGGA C/C(=N\NC(=O)c1ccncc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 4618180 IXCMOSVKVPKAJK-PXLXIMEGSA-N 394.456 3.036 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1ccccc1 863932 FFMPKBUCDRUXEV-CIAFOILYSA-N 383.452 3.347 50 50 GGGA CCOC(=O)c1ccc(NC(=O)NNC(=O)c2cc(C)nc3ccccc23)cc1 2853017 BZSSAEAEEBCKKI-UHFFFAOYSA-N 392.415 3.186 50 50 GGGA Cc1scc(C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1-c1ccccc1 2784819 VYLUFMRJBLUFMM-CABCVRRESA-N 386.473 3.376 50 50 GGGA O=C(Cn1nnc2ccccc21)N/N=C/c1cccc(OCc2ccccc2)c1 4263906 NRIALHOWVXEXLX-OEAKJJBVSA-N 385.427 3.161 50 50 GGGA O=C(O)CCSSCCNC(=O)CCc1c(Cl)cncc1Cl 1875388716 NKQMIJWDAZIYBZ-UHFFFAOYSA-N 383.322 3.293 50 50 GGGA CC(=O)c1cccc(NC(=O)NNC(=O)c2ccccc2Br)c1 1119408 ZJGIJGYZHZJFHO-UHFFFAOYSA-N 376.210 3.118 50 50 GGGA Cn1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)n1 2789838 XSCZVNRKDPYCIG-IBGZPJMESA-N 394.438 3.491 50 50 GGGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1O 4419028 FSCGDDROHDFZJQ-BLVKFPJESA-N 378.384 3.202 50 50 GGGA C[C@@H](CC(=O)N1CC(CNC(=O)CCl)C1)c1ccc(C(F)(F)F)cc1 1875384263 NFPDUXBFRHGGCV-NSHDSACASA-N 376.806 3.012 50 50 GGGA O=[S@](c1ccccc1)N1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 101137747 PTZNZVTYUNXKCN-HNTBKXQMSA-N 379.117 3.083 50 50 GGGA O=C(NNS(=O)(=O)CCc1cccs1)c1cc2c(s1)CCCCCC2 170610541 HALKHUCRHGWAGH-UHFFFAOYSA-N 398.575 3.276 50 50 GGGA O=C(NNC(=O)c1ccc(-n2cccc2)cc1)NC12CC3CC(CC(C3)C1)C2 5041341 QBTIEUMLSFJMLU-UHFFFAOYSA-N 378.476 3.390 50 50 GGGA O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1CNNC(=O)Nc1ccccc1 100014098 RJNDVCNWVBWHLY-YBEUPEFXSA-N 387.480 3.308 50 50 GGGA in-vitro COc1ccc(/C(C)=N/NC(=O)c2ccccc2I)cc1 12343235 UILHCSSSQHFRJE-WOJGMQOQSA-N 394.212 3.454 50 50 GGGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 4231367 QQSIVEBTOVQSJD-PXLXIMEGSA-N 382.464 3.020 50 50 GGGA O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(Br)cc1 4989951 VAYNJSJCDOSMNE-IDUWFGFVSA-N 398.600 3.480 50 50 GGGA N=C1SCC(=O)N1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100988095 KNEIKMWEHWOLRP-UHFFFAOYSA-N 391.456 3.448 50 50 GGGA Cc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@]32C(=O)Nc3ccccc32)cc1 4776933 BYKHWIPFEMAPKY-IZHWHUGBSA-N 397.434 3.310 50 50 GGGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)c1 1429244 VBBJRRUXYLEJEG-QGZVFWFLSA-N 392.436 3.497 50 50 GGGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(Br)s1 2760108 QVOYWMLUEVAAPH-PTPOTIKZSA-N 398.238 3.336 50 50 GGGA CCOc1ccccc1NC(=S)NNC(=O)CSCc1ccccc1 5949607 SHXKIFZOZQWSQO-UHFFFAOYSA-N 375.519 3.336 50 50 GGGA O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1O 5649954 AENFAXYLJMXBCN-FLFQWRMESA-N 385.423 3.116 50 50 GGGA COC(=O)/C(=C(/N)S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 59567664 ZDLAEDNREIIUPL-UHFFFAOYSA-O 394.456 3.211 50 50 GGGA C/C(N)=C(\C#N)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs1 281284128 XMVZMNAFNOOUBD-SSZFMOIBSA-N 388.518 3.198 50 50 GGGA O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1ccccc1[N+](=O)[O-] 1217512 AISSSMWXOWZRFF-REZTVBANSA-N 398.600 3.480 50 50 GGGA C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)COc1ccc(C)cc1C 4691324 FQPASEMUZUKMEQ-LFVJCYFKSA-N 378.432 3.075 50 50 GGGA CCOc1ccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c(O)c1 16677622 NIEBEBMCMSEVKV-IVZMSFFOSA-N 392.411 3.234 50 50 GGGA COc1ccc2cccc(CC(=O)NCC3(NC(=O)CCl)CCCC3)c2c1 1875384257 NBSFYBXPDLLAGF-UHFFFAOYSA-N 388.895 3.175 50 50 GGGA Cc1ccc(N(CC(=O)N/N=C/C(C)C)S(=O)(=O)c2ccccc2)c(C)c1 5009929 MJXVKZKSWMTYRH-FYJGNVAPSA-N 387.505 3.257 50 50 GGGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)[C@@H](c2ccc(F)cc2)C2CC2)CC1 1875383754 DNMXODRCERQTRQ-BFUOFWGJSA-N 380.891 3.301 50 50 GGGA O=C(Oc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1)c1cccc(F)c1 1187686 HHCDIXROVHCBIV-LSCMLXDISA-N 392.386 3.229 50 50 GGGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cnccn2)cc1 5675960 RXEUADAWWDZBQF-DHRITJCHSA-N 398.426 3.102 50 50 GGGA Cc1cc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2)cc(C)c1Cl 1750127 YLVUVGAFWNCBHO-UHFFFAOYSA-N 397.258 3.215 50 50 GGGA COc1cccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)c1 653365 DBNRKLFOWDFFTQ-CVEARBPZSA-N 375.881 3.470 50 50 GGGA Cc1cc(=O)oc2ccc(OCC(=O)NNc3ccc(Cl)c(F)c3)cc12 888093363 XSNKNMZLLHOADT-UHFFFAOYSA-N 376.771 3.416 50 50 GGGA Cn1cccc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 4616478 UDRGAGQPWNKZPJ-ORCQZHJASA-N 378.457 3.008 50 50 GGGA CC(=O)c1ccc(NC(=S)NNC(=O)CSCc2ccc(C)cc2)cc1 6400671 UTYXJUIRIPGZDA-UHFFFAOYSA-N 387.530 3.449 50 50 GGGA CCOc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2CC)c1O 1193416 UIEXQYSRRPNMEC-CIAFOILYSA-N 398.488 3.403 50 50 GGGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(Br)cc1 2379921 PXNUFNZQYKQFKG-KEBDBYFISA-N 385.221 3.019 50 50 GGGA CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1 2805923 ZJXBFYDWKMRJDW-MSOLQXFVSA-N 388.464 3.074 50 50 GGGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)[C@@]2(C)CCc3ccccc3C2)CC1 1875384284 NUDYRAZRPGGOAE-VFNWGFHPSA-N 376.928 3.164 50 50 GGGA CCOC(=O)CN(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 4831089 YQXVEKIURQVOTE-UHFFFAOYSA-N 386.404 3.030 50 50 GGGA Cc1ccc(OCCOc2ccc(Br)cc2/C=N\NC(N)=O)cc1 30819171 AFFRHLLGVJIPCO-JAIQZWGSSA-N 392.253 3.218 50 50 GGGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)c2ccnn2C2CCCC2)cc1 1875384901 YIDBMZGDAOCYRK-AWEZNQCLSA-N 388.899 3.344 50 50 GGGA O=C(CCl)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccn(C2CCCCC2)n1 1875383673 BUZBMWKYGPUHGA-HOCLYGCPSA-N 380.920 3.032 50 50 GGGA C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=S)NCc1ccco1 2852418 TZOGYMNRZURZFB-VIFPVBQESA-N 388.276 3.049 50 50 GGGA COc1ccc2c(c1OC)C1=CC(=O)[C@H](Br)C[C@]13CCN(C)[C@@H]3C2 3121948 JQOULQFBEKJTJO-VVFCZOMOSA-N 392.293 3.070 50 50 GGGA COc1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 15933850 VNNYOPTYZDTPBR-CQSZACIVSA-N 379.416 3.469 50 50 GGGA CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc21 15723491 ACUDWYSMGLATDY-PDGQHHTCSA-N 387.439 3.428 50 50 GGGA O=C(NNc1nc2ccncc2s1)c1cccc(COC2CCOCC2)c1 870435598 GVHLNUFEFUONPV-UHFFFAOYSA-N 384.461 3.144 50 50 GGGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 4258587 VBZLTZVZJPIZIB-WSDLNYQXSA-N 396.834 3.376 50 50 GGGA O=[S@@](c1ccccc1)N1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 101137745 PTZNZVTYUNXKCN-SQKXZEEASA-N 379.117 3.083 50 50 GGGA COc1cc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)cc(OC)c1 6397709 OUFNVSVCFPAIOU-UHFFFAOYSA-N 397.859 3.057 50 50 GGGA CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccncc3)c21 8569187 MRDHZPAPFGTTFK-MRXNPFEDSA-N 389.415 3.097 50 50 GGGA CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 4302562 LMEMAMZBFBTPSU-LSHDLFTRSA-N 394.258 3.272 50 50 GGGA O=C(NNc1ncc(F)cc1F)Nc1ccn(-c2ncccc2C(F)(F)F)n1 1310424089 ZXFQUNLXLOAYJH-UHFFFAOYSA-N 399.283 3.108 50 50 GGGA Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 5595734 BPHAAKDJICSRKJ-JOCHJYFZSA-N 383.411 3.018 50 50 GGGA O=C(CCl)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl 3130773 RKUZEHLAWKPUDX-SECBINFHSA-N 393.098 3.163 50 50 GGGA N#CSc1ccc(Nc2cc(N3CCOCC3)c3nonc3c2[N+](=O)[O-])cc1 16265541 GDHUCBLQKYAUJC-UHFFFAOYSA-N 398.404 3.284 50 50 GGGA O=C(NNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccncc1 16399359 KGUSTGVPZDCCDZ-WDXRGRCHSA-N 375.472 3.381 50 50 GGGA CC(C)(C)c1ccc(OCC(=O)NN=Cc2cc3c(cc2[N+](=O)[O-])OCO3)cc1 244899839 ZRIMQDOKBTUKLG-UHFFFAOYSA-N 399.403 3.150 50 50 GGGA CC(C)(C)OC(=O)N1CCC2(CC[C@H](CI)O2)CC1 91302710 YFCVNAAYAKDZGI-LLVKDONJSA-N 381.254 3.370 50 50 GGGA N#CC1=C2Nc3ccccc3N2C(=O)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 2325809648 UKZQBHNQERZQEO-GFCCVEGCSA-N 389.371 3.137 50 50 GGGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 100913060 ZFAOYYYAQQDPJK-HDICACEKSA-N 394.383 3.494 50 50 GGGA COc1ccc(N([C@H](C)C(=O)NN=C2CCCCCCC2)S(C)(=O)=O)cc1 1191603 RHTHFJHPYUVKQS-OAHLLOKOSA-N 395.525 3.066 50 50 GGGA CCOc1cccc(/C=N/NC(=O)c2[nH]nc(-c3ccc(OC)cc3)c2C)c1O 5318901 LQILHZSZDZVVEO-WSDLNYQXSA-N 394.431 3.262 50 50 GGGA Cc1c(Cl)cccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239046939 FZXKEKPUTZRFRZ-ZXNRBLBOSA-N 384.657 3.158 50 50 GGGA N#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2[C@@H]1c1cc2c(cc1Cl)OCO2 5130274 XWXFKJNCCFLZFQ-OAHLLOKOSA-N 393.790 3.072 50 50 GGGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4259796 ZDHULBVEEYFWQO-LJGKHRNASA-N 392.411 3.221 50 50 GGGA Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)[C@H](C)Cl)c2ccccc2)c(C)c1 1875364134 FFJIYIABIHQUDG-DOTOQJQBSA-N 394.924 3.067 50 50 GGGA C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccc(Br)cc1 33334589 RMWKARCLGHQCAH-XDHOZWIPSA-N 386.253 3.124 50 50 GGGA O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)Nc1ccccc1C(F)(F)F 1117777 XLFUYPWBZUEWMS-UHFFFAOYSA-N 382.298 3.009 50 50 GGGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)cc1 838040 LNNXBWGVIVJCPW-HYARGMPZSA-N 377.448 3.305 50 50 GGGA C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1 12342853 KKVNQYWVBZCMRP-SYMRHICGSA-N 380.404 3.219 50 50 GGGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 4354907 WCETYHHFHPTQNY-LSHDLFTRSA-N 394.258 3.272 50 50 GGGA CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1 5059181 XTVBWARIQZVUNZ-VBKFSLOCSA-N 380.400 3.183 50 50 GGGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccccc1Cl)C(=O)N2 5578195 SCAXKRVYROHACQ-UHFFFAOYSA-N 392.640 3.497 50 50 GGGA O=P(CCN1CCO[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1 29749228 FLBLRKXTUZQCSY-JOCHJYFZSA-N 378.412 3.427 50 50 GGGA O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1cccc(Cl)c1 2892466 AOOKOTGSTGADNR-GIJQJNRQSA-N 380.629 3.191 50 50 GGGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 1211241 SSRAEOPLBTYNEZ-IMRMQAIZSA-N 376.243 3.497 50 50 GGGA COCc1cc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC)ccc1OC 17078815 YNANVUPLBYFBSB-MDWZMJQESA-N 386.429 3.235 50 50 GGGA CCOc1ccccc1NC(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1 2851139 QPJGLJHVQQMHTM-UHFFFAOYSA-N 391.493 3.398 50 50 GGGA COc1cc(/C=N/NC(=O)[C@@H](C)Nc2ccc(Cl)cc2)cc(OC)c1OC 1204574 XJDWZVUVZIAVAL-KIHMUJGBSA-N 391.855 3.317 50 50 GGGA Cc1ccc2c(c1Br)/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)C(=O)N2 100315887 MOAQMRZCMWOVNR-OLZOCXBDSA-N 398.260 3.334 50 50 GGGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CCn1cnc2ccccc21 1297184 BMROLTSJKPAAGF-ZVHZXABRSA-N 386.459 3.379 50 50 GGGA COc1ccc(/C=N/NC(=O)Cc2ccc(OC)c(Br)c2)cc1 1225464 WAZFGUFDYYDNIF-YBFXNURJSA-N 377.238 3.159 50 50 GGGA N#C/C(=C\c1ccccc1)C(=O)Oc1cccc(C(=S)N2CCOCC2)c1 1207565 ANBATEBOIQKZFE-QGOAFFKASA-N 378.453 3.207 50 50 GGGA Cc1nnsc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 5792626 WQGWVECPGWHXMG-CIAFOILYSA-N 388.456 3.463 50 50 GGGA CNC(=S)NNC(=O)c1cc(-c2cccc(OC(C)C)c2)nc2ccccc12 6564054 DCVCOEXHXMGHES-UHFFFAOYSA-N 394.500 3.428 50 50 GGGA CC(=O)[C@H](C(=O)Nc1ccc(C)cc1)[C@H]1C(=O)c2ccccc2C(=O)[C@H]1Cl 5683156 FGKNCAPISWXPGB-KSZLIROESA-N 383.831 3.442 50 50 GGGA COc1ccc2c(c1OC)C1=CC(=O)[C@H](Br)C[C@@]13CCN(C)[C@@H]3C2 25692631 JQOULQFBEKJTJO-NRXGSXMXSA-N 392.293 3.070 50 50 GGGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(O)c(OC)c3)c2C)cc1 5296095 UNKUSJRJRPKZSZ-WSDLNYQXSA-N 394.431 3.262 50 50 GGGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 1429634 RPJAKTRRASYWIY-HNNXBMFYSA-N 384.413 3.180 50 50 GGGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@]12C(=O)Nc1ccccc12 3682887 PSMGWPGTLKFOQY-FATZIPQQSA-N 383.407 3.001 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3F)[C@H]2C1 4312617 GXJBZBRIYWBHRG-HKUYNNGSSA-N 379.414 3.100 50 50 GGGA Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 5005445 UHPMOUBRJTXLAQ-CAOOACKPSA-N 378.182 3.135 50 50 GGGA C[C@@H]1CCCN(C(=O)c2cc(C3CCC3)on2)[C@H]1CCCNC(=O)CCl 1875384426 OXIZFZCKHRDSTA-CJNGLKHVSA-N 381.904 3.318 50 50 GGGA Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3nccs3)=C2C#N)cc1 9013989 LOQIRQHGJVGIEL-ZDUSSCGKSA-N 384.486 3.162 50 50 GGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(CN2CCOCC2)cs1 19873847 KFEFGCITSWBFSB-GOSISDBHSA-N 399.516 3.031 50 50 GGGA CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)cc1 822287 MBNHWCFAOXTQAQ-XQNSMLJCSA-N 378.476 3.424 50 50 GGGA CCCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)cc1 2805922 ZJXBFYDWKMRJDW-ROUUACIJSA-N 388.464 3.074 50 50 GGGA CCOC(=O)C1(CI)CCN(C(=O)OC(C)(C)C)CC1 33414770 FKZDQBQVWKAEHH-UHFFFAOYSA-N 397.253 3.002 50 50 GGGA O=C(CCl)NC[C@H]1CC[C@H](NC(=O)CCc2ccc(Cl)s2)CC1 1875383469 VYPSCJSZEQDVKN-HAQNSBGRSA-N 377.337 3.364 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@@H]2C1 4453558 LSZDEVFDQUOBSR-APWZRJJASA-N 379.414 3.100 50 50 GGGA O=C(COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)Nc1ccccc1 832771 CCINUCVYCWIIPV-OEAKJJBVSA-N 389.411 3.174 50 50 GGGA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCl)Oc1ccccc1 1661656 ARISEFVMAFOUDW-GOSISDBHSA-N 385.851 3.223 50 50 GGGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(COCC(F)(F)F)cc1 2750759 WSZZNKMALXHSAG-ZVBGSRNCSA-N 381.310 3.438 50 50 GGGA CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 14191464 VXYZBLXGCYNIHP-UHFFFAOYSA-N 392.540 3.247 50 50 GGGA in-vitro O=C(c1ncn2c1COc1ccccc1-2)N1CCC2(CC1)C[C@H]2Br 1875317955 HOLYJHTZOJMSLY-OAHLLOKOSA-N 388.265 3.154 50 50 GGGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 705849 OKMCFNZWJGMRTH-ZDUSSCGKSA-N 377.169 3.068 50 50 GGGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1453455 IHXQWJSEKBAURX-HPAYWCODSA-N 392.209 3.275 50 50 GGGA C=CCc1cccc(/C=N/NC(=O)N/N=C/c2cccc(CC=C)c2O)c1O 4996694 KQYKXSZDWOKQLZ-MSKUYSOUSA-N 378.432 3.222 50 50 GGGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4c(F)cccc4Cl)[C@H]3[C@H]1CC2 826691992 SDNICZOASPRHKD-OLJVKKBNSA-N 393.853 3.365 50 50 GGGA O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1ccncc1 1187959 OUYLSUAEFYPSDY-REZTVBANSA-N 399.042 3.076 50 50 GGGA O=C(CCl)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 3130816 WTYCEQPYDHTENK-SECBINFHSA-N 375.108 3.024 50 50 GGGA O=C(N/N=C/c1cccs1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5344811 DLUWPWNRKNPPLN-CPNJWEJPSA-N 385.470 3.313 50 50 GGGA O=C(N/N=C/c1ccccc1O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 2906288 DBKCSYDFDZDDJP-IGRHVHCWSA-N 385.423 3.313 50 50 GGGA CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(-n3cccc3)cc2)cc1 1118172 KIFPSCLOABSEKF-UHFFFAOYSA-N 392.415 3.121 50 50 GGGA COc1ccc(OCc2ccc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)o2)cc1 9704001 CXXLFHSORNJRDF-GOSISDBHSA-N 378.388 3.117 50 50 GGGA Cc1occc1C(=O)NNC(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 6232915 AKOYLDAKNWAKLU-UHFFFAOYSA-N 389.868 3.118 50 50 GGGA Cc1cc(C(=O)NCC2(NC(=O)CCl)CCCCCC2)nn1C(C)(C)C 1875384267 NIURQCNXUUTPEJ-UHFFFAOYSA-N 382.936 3.124 50 50 GGGA Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(F)cc1 1059450 OTAVLTNBGZUYHW-UFWORHAWSA-N 375.201 3.308 50 50 GGGA O=C(N/N=C/c1ccccc1Br)C(=O)Nc1ccccc1Cl 2530366 YKOBAPMYKOMBFN-GIJQJNRQSA-N 380.629 3.191 50 50 GGGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2OCC)cc1 2531845 GCAPYEKDXMWEDA-LPYMAVHISA-N 385.420 3.096 50 50 GGGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(Br)cc1 1471954 BEFKFHARWLCTIT-CYBMUJFWSA-N 397.656 3.313 50 50 GGGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cccc(Br)c1 3148407 FSYHTNOBRNFGFA-DJKKODMXSA-N 394.656 3.500 50 50 GGGA CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CI)C2 85345452 USSPBBSWVQVHKR-NSHDSACASA-N 381.254 3.228 50 50 GGGA in-vitro CC[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)CC[C@H]1NC(=O)CCl 1875383697 CSMMECHPLGBVDL-VQIMIIECSA-N 376.928 3.090 50 50 GGGA Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(O)c(O)c1 3136502 JZZHIOXKDAFLOV-UFWORHAWSA-N 393.237 3.006 50 50 GGGA CCc1noc2ncc(C(=O)NNC(=O)c3cc4c(s3)CC[C@@H](C)C4)cc12 170649506 GSKOAINQXZXRLH-SNVBAGLBSA-N 384.461 3.046 50 50 GGGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1O 2506296 LADSLTZEEQQQFN-YBFXNURJSA-N 375.222 3.483 50 50 GGGA Cc1ccc(S(=O)(=O)n2ccc3ccc(CCNC(=O)CCl)cc32)cc1 170279764 YELYMSIDJJOASJ-UHFFFAOYSA-N 390.892 3.084 50 50 GGGA O=C(Oc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1)c1cccc(F)c1 1187682 HHCDIXROVHCBIV-PGLVWIQMSA-N 392.386 3.229 50 50 GGGA O=C(CCl)NCc1ccc(CNC(=O)c2cccc3cnsc23)c(F)c1 1875384379 ODTQNCINVAFIHX-UHFFFAOYSA-N 391.855 3.220 50 50 GGGA I[C@H]1[C@@H]2C[C@H]3[C@H]4C[C@@H]2[C@@H]([C@H]4I)[C@H]13 257356899 KYMLEMSCKGSBAT-YECAGNBQSA-N 386.014 3.125 50 50 GGGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cc(OC)ccc2OC)[nH]n1 18148767 JSDYADOBFXYLML-LPYMAVHISA-N 394.431 3.257 50 50 GGGA O=C1O[C@H](N(CCBr)[C@H]2OC(=O)c3ccccc32)c2ccccc21 71767125 VZIBCTPQLZCVLU-HOTGVXAUSA-N 388.217 3.422 50 50 GGGA O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccco2)c1 220961166 VFRBDFBZCBMGJQ-NDENLUEZSA-N 378.344 3.204 50 50 GGGA COc1ccc(C)cc1NC(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1Cl 2855783 YZYJLEUUDYMAHX-NSHDSACASA-N 395.818 3.416 50 50 GGGA O=C(NCc1ccco1)Nc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 2173832 BWUBIJUTGIDKJZ-WSDLNYQXSA-N 378.388 3.071 50 50 GGGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 4259512 WFEGBAQJRCMTEE-SSDVNMTOSA-N 379.338 3.193 50 50 GGGA CC(C)(C)c1nc(CC(=O)N[C@H]2CCCC[C@H]2CNC(=O)CCl)cs1 1875384469 QGWQGYWUWPFNPY-JSGCOSHPSA-N 385.961 3.013 50 50 GGGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 1471955 BEFKFHARWLCTIT-ZDUSSCGKSA-N 397.656 3.313 50 50 GGGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc2c(c1)OCO2 717993 YZLYTWGSCOKGFJ-BLVKFPJESA-N 376.368 3.217 50 50 GGGA C/C(CC(=O)CCCC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)CC#N 102308798 GWDWEJWVGHQIPQ-SSDVNMTOSA-N 397.262 3.467 50 50 GGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(Br)o1 626060 QHCGLHQLCUOLLQ-CYBMUJFWSA-N 385.173 3.367 50 50 GGGA Cc1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc1 9109251 JKMMZMWOVMFKCM-GOSISDBHSA-N 391.496 3.383 50 50 GGGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(OCC)c3)[nH]n2)c1 9334785 LWAATJOQQRTWBY-LPYMAVHISA-N 394.431 3.344 50 50 GGGA CCOc1ccc([C@@H]2[C@@H](C(=O)C3CC3)N3C=C(C#N)C=C[C@H]3C2(C#N)C#N)cc1 244778598 PTLNYAIIUWITKU-HBMCJLEFSA-N 384.439 3.212 50 50 GGGA C/C(=N/NC(=O)[C@@H]1COc2cc3ccccc3cc2O1)c1ccc([N+](=O)[O-])cc1 5030772 CIDARWLCALHLSS-CWGWECIMSA-N 391.383 3.428 50 50 GGGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)COc1ccc(Cl)c(C)c1 675807 QPIJYAOFEUAVBQ-UFFVCSGVSA-N 392.839 3.203 50 50 GGGA O=C(N/N=C/c1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231953 VLJNPZXUHFLAHE-HYARGMPZSA-N 397.431 3.390 50 50 GGGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 2690409 AZKVLCHKJFEYQG-INIZCTEOSA-N 384.432 3.163 50 50 GGGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 4260659 OFENXQLCVIFMFM-LPYMAVHISA-N 377.400 3.033 50 50 GGGA O=C(CSc1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 2534596 CQZBXUQSCMYHCA-QGMBQPNBSA-N 393.262 3.420 50 50 GGGA CC[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)CC[C@@H]1NC(=O)CCl 1875383690 CSMMECHPLGBVDL-APWZRJJASA-N 376.928 3.090 50 50 GGGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1OC 1232485 KFYXKYQYEBICFR-QGZVFWFLSA-N 399.403 3.063 50 50 GGGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 100915703 AADNCSSTCXBZDF-ROUUACIJSA-N 394.383 3.494 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@H]2CN(Cc3ccccc3)CC=C12 33936214 LTNWOHXEDMUQNL-VXKWHMMOSA-N 392.466 3.007 50 50 GGGA Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239046938 FZXKEKPUTZRFRZ-IZIREBJPSA-N 384.657 3.158 50 50 GGGA O=C(N/N=C/c1cccnc1)c1cc(Br)cc(Br)c1O 1228464 UBHXNASBVRPWBI-REZTVBANSA-N 399.042 3.076 50 50 GGGA O=C(CCl)N(Cc1cc2ccccc2s1)C[C@@H]1CC(=O)N(C2CC2)C1 1875384012 JFXOBEIWCYPNNY-ZDUSSCGKSA-N 376.909 3.480 50 50 GGGA Cn1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cn1 2789752 FVPBHFRIWJQTHL-IBGZPJMESA-N 394.438 3.491 50 50 GGGA CN(C)c1nnc(/C(C#N)=C/c2cc(C(=O)c3cccc(Cl)c3)cn2C)o1 5219161 CZXRBDGUUUWNMV-MDWZMJQESA-N 381.823 3.423 50 50 GGGA COc1ccc(/C=N/NC(=O)CN2CCCCCCC2)cc1Br 4990870 LMQBFJKHPGGMDH-XDHOZWIPSA-N 382.302 3.174 50 50 GGGA Cc1ccc(/C=N/NC(=O)c2cc(I)ccc2O)cc1 1192079 AVUFXLCVKUVVTR-RQZCQDPDSA-N 380.185 3.069 50 50 GGGA CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccco1 1214380 OLVPAJCTQBANFC-LPYMAVHISA-N 379.372 3.056 50 50 GGGA COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)cc2c1OCO2 8566108 BONZVIWKSZCHRS-CQSZACIVSA-N 394.412 3.094 50 50 GGGA COc1cccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c1OC 16677660 IAXYRUNSJJUHKL-BIFQTZPZSA-N 392.411 3.147 50 50 GGGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)C[C@H]2CCCc3ccccc32)CC1 1875384399 OFABTFCCUFTMGW-CRAIPNDOSA-N 376.928 3.479 50 50 GGGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)c(C)s1 1022108 NOOGUMFYSXYJEL-CYBMUJFWSA-N 383.267 3.464 50 50 GGGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)/C=C/c2ccc3c(c2)OCO3)c1 1800490 AVEPJHIFOOYWCN-RMKNXTFCSA-N 396.443 3.087 50 50 GGGA biogenic O=C(NNC(=S)NCc1ccco1)C1c2ccccc2Oc2ccccc21 2855796 XRNUEBHGUHVCSI-UHFFFAOYSA-N 379.441 3.213 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccccc2OC)nnc1-c1ccccc1 2194164 ZQXPRDBDBBMPPA-FYJGNVAPSA-N 395.488 3.216 50 50 GGGA C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2 5041339 PDBPZFUTEWULKD-KWJFTMPMSA-N 397.519 3.242 50 50 GGGA C[C@]12C[C@H](O)[C@H](Br)C[C@@]1(C)C2(Br)Br 216431131 UNNVKMAHOLSSIG-CWKFCGSDSA-N 376.914 3.417 50 50 GGGA CC(C)(C)NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 1103143 DSOMKQOLFDPCOA-CYBMUJFWSA-N 377.897 3.327 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccoc2)[C@H]2CN(Cc3ccccc3)CC=C12 1296301 ULQCGIOBVGQHAG-SFTDATJTSA-N 381.439 3.205 50 50 GGGA N#C/C(=C\c1ccncc1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 4052569 BBTPMILWCBTSMM-RVDMUPIBSA-N 386.436 3.441 50 50 GGGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(C(F)(F)F)c3)[C@@H]2C1 19816498 QZAVMRGXOHUPIQ-IAGOWNOFSA-N 383.377 3.061 50 50 GGGA c1ccc([P+](CCN2CCOCC2)(c2ccccc2)c2ccccc2)cc1 202843658 XDWAYICEXWBZBO-UHFFFAOYSA-N 376.460 3.313 50 50 GGGA CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)c1cc(Br)c[nH]1)C2 1875390942 YZDNJWPZCFMARE-MHWYIPFGSA-N 396.285 3.252 50 50 GGGA Cc1noc(C)c1C(=O)N[C@@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875384702 UYAAGWLZDFIVHI-KRWDZBQOSA-N 385.851 3.271 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3F)[C@@H]2C1 4312616 GXJBZBRIYWBHRG-MJGOQNOKSA-N 379.414 3.100 50 50 GGGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(Br)s1 2760106 QVOYWMLUEVAAPH-VKPPLCHCSA-N 398.238 3.336 50 50 GGGA COc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1[N+](=O)[O-] 1228182 XNNXQEDNTJMCHB-WSDLNYQXSA-N 378.388 3.319 50 50 GGGA N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)N1CCOCC1 973478 ZRSDMXFZOSVJIV-SDNWHVSQSA-N 387.233 3.475 50 50 GGGA CC(C)(C)OC(=O)N1CCC2(CC[C@@H](CI)O2)CC1 91302711 YFCVNAAYAKDZGI-NSHDSACASA-N 381.254 3.370 50 50 GGGA CCOC(=O)/C(C)=C/CC[C@@]12CCC[C@@H](OC1=O)[C@H]2I 257356859 KSKKFOONRBILKY-IHNYSWAOSA-N 392.233 3.175 50 50 GGGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 945656 OYYOMRVBXAWMSY-UDWIEESQSA-N 379.376 3.148 50 50 GGGA Cc1ccccc1NC(=S)N[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl 3130787 YLGCTMBTSVIKGH-SNVBAGLBSA-N 389.135 3.333 50 50 GGGA CCOc1ccc(NC(=S)NNC(=O)CSCc2ccccc2)cc1 5949210 UQIXWLGCLWVBAO-UHFFFAOYSA-N 375.519 3.336 50 50 GGGA C[C@]12CCN(C(=O)c3ncn4c3COc3ccccc3-4)C[C@@H]1[C@@H]2Br 1875309283 DPBDDTABUZTATN-VOZBZGINSA-N 388.265 3.010 50 50 GGGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 1472162 DJYQPBSAIDBFDT-OAQYLSRUSA-N 399.450 3.432 50 50 GGGA O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)[C@H]1C[C@@]12CCc1ccccc12 748341737 YXJIGAPWEUYIOW-HOYKHHGWSA-N 397.482 3.375 50 50 GGGA Cc1ccc(-c2c(C(=O)NNC(=S)NC[C@H]3CCCO3)csc2C)cc1 13519766 CUEBHVUXWKGNRQ-OAHLLOKOSA-N 389.546 3.320 50 50 GGGA C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502495 PPUPIQSQCKVNRM-NRFANRHFSA-N 390.395 3.044 50 50 GGGA N#CC1=C(N)NC(SCC(=O)Nc2ccccc2)=C(C#N)C12CCCCC2 6996083 FODGBSYCLZGMFQ-UHFFFAOYSA-N 379.489 3.341 50 50 GGGA O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)[C@@H]1C[C@]12CCc1ccccc12 748341740 YXJIGAPWEUYIOW-UUOWRZLLSA-N 397.482 3.375 50 50 GGGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccccc1Br 1228403 LGPLSDCSUJWKNT-CQSZACIVSA-N 377.238 3.484 50 50 GGGA O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1COc2ccccc2O1 1226685 WRKGUVAXLIASQU-GWJWUGQSSA-N 393.355 3.145 50 50 GGGA CC(C)(C)NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 1103144 DSOMKQOLFDPCOA-ZDUSSCGKSA-N 377.897 3.327 50 50 GGGA CCc1c(C)sc(NC(=S)NNC(=O)c2csc(C)c2)c1C(=O)OC 17081350 SRHIDBHILGJQLH-UHFFFAOYSA-N 397.547 3.407 50 50 GGGA C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNC(=S)NCc1ccccc1 2851000 DENAIGFGOPHAIJ-LLVKDONJSA-N 398.315 3.456 50 50 GGGA C[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 1066668 VTEBBVAAJDYBBB-PTPOTIKZSA-N 397.254 3.370 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C1CCCC2=O 690817 PHMYFGQJEZNORV-MRXNPFEDSA-N 387.281 3.026 50 50 GGGA Cc1noc(C)c1C(C)(C)C(=O)N1C[C@@H](NC(=O)CCl)[C@H](CC(C)(C)C)C1 1875383021 CNUZITJNQJJTRM-HUUCEWRRSA-N 397.947 3.187 50 50 GGGA C[C@H]1CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 4708621 PCUBSJCNPGMETO-JBEBIEQOSA-N 396.450 3.344 50 50 GGGA COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(C)c2C)c1 5029781 GBAARZVKKYMPIQ-OEAKJJBVSA-N 383.448 3.455 50 50 GGGA CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1cnccc1N1CCOCC1 1875319468 DHDNOGMXKGQKBL-UHFFFAOYSA-N 394.472 3.099 50 50 GGGA O=C(NNc1nc(-c2ccncc2)no1)c1cc(Cl)ccc1OC(F)F 176247894 HRKSYDGOEICMKR-UHFFFAOYSA-N 381.726 3.143 50 50 GGGA O=C(O)[C@@H]1c2ccccc2C(=O)N(CCCCl)[C@@H]1c1ccc2c(c1)OCO2 3883393 CZNHXLFELZUPCZ-QZTJIDSGSA-N 387.819 3.410 50 50 GGGA O=C(N/N=C/c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4230326 KROPNKJPLOUWTB-RCCKNPSSSA-N 379.441 3.251 50 50 GGGA O=C(CCl)NCC1(NC(=O)c2cnn(C3CCCCC3)c2)CCCCC1 1875383976 IEYRNHQWFUMSKU-UHFFFAOYSA-N 380.920 3.176 50 50 GGGA C/C(=N\NC(=O)COc1ccc(Br)cc1C#N)c1cccs1 12343140 JRMSEQKPFGAQKB-VCHYOVAHSA-N 378.251 3.301 50 50 GGGA CC(C)(C(=O)N1CC[C@@H](C(F)(F)F)[C@H](NC(=O)CCl)C1)c1ccccc1 1875384209 MDOYVVHFHDPUJC-ZIAGYGMSSA-N 390.833 3.099 50 50 GGGA CNC(=S)NNC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc12 6564037 KLNPMNRMLOUCAJ-UHFFFAOYSA-N 394.500 3.428 50 50 GGGA CCCCc1ccc(OCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229181 TZILFPMRGUSESA-OEAKJJBVSA-N 377.444 3.400 50 50 GGGA CCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O 2056446 JKWMLOXEPSNHOW-UHFFFAOYSA-N 387.480 3.239 50 50 GGGA COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(O)cc1 100544223 DHWOIIOUSMBGRI-SRZZPIQSSA-N 375.812 3.189 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1ccccc1 863916 JBKMEMXRVWFUDT-CIAFOILYSA-N 383.452 3.347 50 50 GGGA C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502496 PPUPIQSQCKVNRM-OAQYLSRUSA-N 390.395 3.044 50 50 GGGA C/C(Cn1nnc2ccccc21)=N\NC(=O)COc1ccc(Cl)cc1Cl 4738141 SYZDFGKIEFQVJQ-RGVLZGJSSA-N 392.246 3.309 50 50 GGGA O=C(Cc1csc(-c2cccc(F)c2)n1)NNc1nc(-c2ccncc2)no1 112598372 HCFXUCPADKPUBJ-UHFFFAOYSA-N 396.407 3.080 50 50 GGGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(C(F)(F)F)c3)[C@@H]2C1 20813032 QZAVMRGXOHUPIQ-SJORKVTESA-N 383.377 3.061 50 50 GGGA CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1O 23549729 JXTAYRQKIIMQOB-GIJQJNRQSA-N 379.210 3.023 50 50 GGGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 5033731 MOERLWAIJPQGMH-UDWIEESQSA-N 379.376 3.148 50 50 GGGA N#CC1=C2Nc3ccccc3N2C(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 2325809649 UKZQBHNQERZQEO-LBPRGKRZSA-N 389.371 3.137 50 50 GGGA O=C(N/N=C/c1ccccc1Br)C(=O)Nc1ccc(Cl)cc1 4261279 SJSJWNHSJHARIM-GIJQJNRQSA-N 380.629 3.191 50 50 GGGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cc(OC)ccc1OC 1426962 FZQFRSIZDIEFJD-OAHLLOKOSA-N 386.429 3.079 50 50 GGGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 989898 FOQLSSNFIIBNNX-LJQANCHMSA-N 386.411 3.186 50 50 GGGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)[C@H]1C[C@@H]1c1ccccc1 2779682 VIOIZLXGSJNBRQ-YCBOFAAOSA-N 387.233 3.432 50 50 GGGA CCOc1c(OC)cccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccn3)c21 4171042 CWXWUIUGUVGCMN-MRXNPFEDSA-N 389.415 3.097 50 50 GGGA O=C(C[C@H](NCc1ccco1)C(=O)O)NN(c1ccccc1)c1ccccc1 2857139 LZKAPHNRDSLEDP-IBGZPJMESA-N 379.416 3.082 50 50 GGGA Cc1cccc(NC(=S)N[C@H](NC(=O)CCl)C(Cl)(Cl)Cl)c1 3130817 BDHOZZQPXKSHFJ-JTQLQIEISA-N 389.135 3.333 50 50 GGGA COc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c1 653367 DBNRKLFOWDFFTQ-HZPDHXFCSA-N 375.881 3.470 50 50 GGGA Cc1cccc(C)c1N(CC(=O)NN=C1CCCCCCC1)S(C)(=O)=O 714522 VWVHEAYDEQKIHI-UHFFFAOYSA-N 379.526 3.286 50 50 GGGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1OC 5095404 SHMRANALZGSOGT-KRWDZBQOSA-N 389.415 3.097 50 50 GGGA Cc1ccc(S(=O)(=O)NNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 6214536 AUDAYVKZYBKSPG-WEVVVXLNSA-N 385.272 3.325 50 50 GGGA O=C(CCC(=O)N/N=C/c1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1 2390819 QLKBSZKRCFYRKY-XHQRYOPUSA-N 391.258 3.374 50 50 GGGA Cc1ccc(C)c(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)c1 5613961 UREVJYVDHNJERT-WSDLNYQXSA-N 378.432 3.032 50 50 GGGA CC1=C(C#N)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(CC(C)(C)CC2=O)N1 19805621 LVFDZRKZRNDBJE-GOSISDBHSA-N 381.388 3.451 50 50 GGGA COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)[C@H](C)Cl)c2C)c1 1875377990 SWBKGPVPUIOEOZ-SJCJKPOMSA-N 377.872 3.025 50 50 GGGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(Br)c1 4119198 NDUHRNRCJCYURE-UHFFFAOYSA-N 381.142 3.022 50 50 GGGA C=CCc1cccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)c1O 4230256 MWKPVAGFBVTZKC-AFUMVMLFSA-N 387.439 3.154 50 50 GGGA CC(C)Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)NN(C)C)c2)cc1 225695596 MCXTWMITMKQUAI-UHFFFAOYSA-N 390.509 3.284 50 50 GGGA Cc1ccccc1NC(=S)N[C@H](NC(=O)CCl)C(Cl)(Cl)Cl 3130786 YLGCTMBTSVIKGH-JTQLQIEISA-N 389.135 3.333 50 50 GGGA CN(C)c1cccc(C(=O)NNC(=S)Nc2ccccc2C(F)(F)F)c1 2852858 IMDYMMGSQSLEEK-UHFFFAOYSA-N 382.411 3.403 50 50 GGGA C=CCNC(=S)NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 17077972 INXQDQIMKLXAME-UHFFFAOYSA-N 381.457 3.307 50 50 GGGA Cc1ccc(O[C@@H](C)C(=O)N2CCC(C(C)(C)CNC(=O)CCl)CC2)cc1 1875384243 MXBUEXGZUJBMEV-INIZCTEOSA-N 394.943 3.382 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@@H]2C1 13471541 GXJBZBRIYWBHRG-IEBWSBKVSA-N 379.414 3.100 50 50 GGGA COc1ccc(C[C@H]2OC[C@H]3OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O2)cc1 169834237 WOKDMNFFZGRQJZ-XMTFNYHQSA-N 394.540 3.295 50 50 GGGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccc(O)c(OC)c1 2388498 CNDUJECEBPAWTI-VXLYETTFSA-N 393.237 3.326 50 50 GGGA CC(C)(C(=O)N1CC[C@H](C(F)(F)F)[C@H](NC(=O)CCl)C1)c1ccccc1 1875384208 MDOYVVHFHDPUJC-UONOGXRCSA-N 390.833 3.099 50 50 GGGA O=[N+]([O-])c1ccc([C@H](O)[C@H](Br)[C@@H](O)C(Cl)(Cl)Cl)cc1 15636210 PQFZNXSPQIVSDU-XHNCKOQMSA-N 393.448 3.123 50 50 GGGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cnccn2)c1 5796290 NZCXKZBVQSVMBZ-DHRITJCHSA-N 382.427 3.402 50 50 GGGA Cc1cc(CCN(Cc2ncc(Br)s2)C(=O)CCl)on1 1875384738 VUHWLOXUMNDWIM-UHFFFAOYSA-N 378.679 3.012 50 50 GGGA CCc1ccc(OCc2ccc(C(=O)NNC(=S)NCC(C)C)o2)cc1 2795389 VFMWHQTZPKDMCS-UHFFFAOYSA-N 375.494 3.186 50 50 GGGA Cc1ccc(C(=O)CSC2=NC(N)=C(C#N)C3(CCCCC3)[C@H]2C(N)=O)cc1 19867028 APVLAQNCXRYPCZ-KRWDZBQOSA-N 396.516 3.069 50 50 GGGA Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2CCBr)cc1 2165472 UJHMCXMCOQUSEI-LDADJPATSA-N 381.295 3.245 50 50 GGGA CCc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)ccc3OC)[nH]n2)cc1 9088720 ODAQFAGOQLHICX-LPYMAVHISA-N 378.432 3.420 50 50 GGGA COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OC 6825571 BFUBNUBFFUALFM-UKTHLTGXSA-N 386.429 3.406 50 50 GGGA Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)N2CCCCC2)c1C 2962754 UAHMFUXTYQFQRA-OEAKJJBVSA-N 380.492 3.174 50 50 GGGA CCc1ccccc1O[C@H](C(=O)NNc1c(C#N)c(C)nn1C)c1ccccc1 1875349560 BOZVJLPSHCOZMU-FQEVSTJZSA-N 389.459 3.426 50 50 GGGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(O)cc2oc(=O)cc(C)c32)cc1 1226932 CLETUFNJTJXMOE-SFHVURJKSA-N 376.368 3.034 50 50 GGGA I[C@@H]1[C@H]2C[C@H]3[C@H]1[C@H]1[C@@H]2C[C@H]3[C@H]1I 257346994 KYMLEMSCKGSBAT-UJPDMBFSSA-N 386.014 3.125 50 50 GGGA CCOc1cc(/C=C(/C#N)C(=O)O[C@H](C)COC)cc(Br)c1O 2759395 NDYKOHLDPYEQCP-CGYDICSFSA-N 384.226 3.038 50 50 GGGA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1Cl 239165304 NXCCJOCNSXHYLU-JOJVEKOVSA-N 384.657 3.158 50 50 GGGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c1 2858055 VABAWSYUGIZNDG-UHFFFAOYSA-N 385.420 3.079 50 50 GGGA CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 1923877 DWBPHSWPJRZGSG-YDZHTSKRSA-N 386.883 3.066 50 50 GGGA Cn1c(CC(=O)N[C@H](CNC(=O)CCl)C2CCCCC2)cc2ccccc21 1875383925 HJALEFUUXKBUMN-GOSISDBHSA-N 389.927 3.141 50 50 GGGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)cc2)c1 4302606 YXUGAJLOQGRVQE-MNQDVBFDSA-N 388.423 3.398 50 50 GGGA CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccncc3)c21 718721 MRDHZPAPFGTTFK-INIZCTEOSA-N 389.415 3.097 50 50 GGGA CCc1cccc(CC)c1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239174226 POETUIVMDRQDPW-ALOQXXIVSA-N 392.293 3.321 50 50 GGGA Cc1nc2ccc(C(=O)N[C@H]3C[C@@H](NC(=O)CCl)C34CCC4)cc2s1 1875383931 HKAFHUYZULGIRA-CABCVRRESA-N 377.897 3.001 50 50 GGGA COc1ccc(NC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 15933851 VNNYOPTYZDTPBR-AWEZNQCLSA-N 379.416 3.469 50 50 GGGA CC[C@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CC[C@H]1NC(=O)CCl 1875383689 CRAJAGBEHMOHLX-ZWKOTPCHSA-N 376.928 3.382 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@H]2CN(Cc3ccccc3)CC=C12 4398322 LTNWOHXEDMUQNL-FCHUYYIVSA-N 392.466 3.007 50 50 GGGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc(Br)cc2)n[nH]1 5126065 VIIMGJFXYDPDMG-VXLYETTFSA-N 385.221 3.309 50 50 GGGA COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCC#N 4380758 DLCBHEIAJOUUMG-LFIBNONCSA-N 396.410 3.301 50 50 GGGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Br)s2)n[nH]1 5484165 UJHYFHCCJUBBOS-CAOOACKPSA-N 376.239 3.060 50 50 GGGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1cccc(Br)c1 1472189 UHJJCIKAPJSRMW-CYBMUJFWSA-N 397.656 3.313 50 50 GGGA CC(=O)NN1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 2513413 CUPBTXJTCCNMLT-KRWDZBQOSA-N 384.867 3.127 50 50 GGGA C/C(CC(=O)NC1CCCCC1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 1848443971 ZDEFLMAMYDNUOA-RGVLZGJSSA-N 380.832 3.193 50 50 GGGA C[C@]12CCN(C(=O)c3ncn4c3COc3ccccc3-4)C[C@H]1[C@@H]2Br 1875309282 DPBDDTABUZTATN-PBQZTSCYSA-N 388.265 3.010 50 50 GGGA COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)cc(OC)c1OC 1233764 ZSDLVVVXOZLIAJ-VXLYETTFSA-N 393.237 3.239 50 50 GGGA C[C@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1coc2ccccc2c1=O 1207478 CXGHUPXGRISQSX-HZZGJGATSA-N 387.395 3.259 50 50 GGGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 705426 IVJNHABVTGQSGE-LJQANCHMSA-N 387.399 3.295 50 50 GGGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccc2ccccc12 20101899 PYEZWZLUILWVRL-KOEQRZSOSA-N 386.499 3.108 50 50 GGGA COc1ccc(OCC(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 15918853 WJDGTNGHMRGVHF-UHFFFAOYSA-N 399.394 3.111 50 50 GGGA COc1c(O)cc(/C=N/NC(=O)CNc2ccccc2C)cc1Br 5740630 OHBOLFWZQRIJBC-AWQFTUOYSA-N 392.253 3.034 50 50 GGGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1 4709686 XAQBOKIAWQVXKH-KRWDZBQOSA-N 393.428 3.356 50 50 GGGA C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1coc2ccccc2c1=O 1207482 CXGHUPXGRISQSX-REMUQMNCSA-N 387.395 3.259 50 50 GGGA O=C(CCl)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccn(C2CCCCC2)n1 1875383674 BUZBMWKYGPUHGA-ZBFHGGJFSA-N 380.920 3.032 50 50 GGGA O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C(\CCCCl)c2ccc(F)cc2)cc1 17081783 ZCERZEPINSJOPY-KNTRCKAVSA-N 399.831 3.436 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccccc2)nnc1-c1ccc(OC)cc1 2280466 IVOGPUAGZIQQKF-FYJGNVAPSA-N 395.488 3.216 50 50 GGGA O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NNc1cc(F)cc(F)c1 157612096 BYLSLFBESKJWIQ-UHFFFAOYSA-N 392.450 3.066 50 50 GGGA COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2O)cc(OC)c1OC 6180797 GMNOKEDWLNRRHD-WSDLNYQXSA-N 380.400 3.335 50 50 GGGA CN(C(=O)C[C@@H]1CCc2ccccc2C1)C1CCC(NC(=O)CCl)CC1 1875384061 KXAKGHFANTVCFA-VNCLNFNDSA-N 376.928 3.306 50 50 GGGA O=C(NNc1c(F)c(F)nc(F)c1F)N[C@H]1CCOc2c(F)ccc(F)c21 952874974 WXVGQEUUBAZLQU-ZETCQYMHSA-N 392.259 3.066 50 50 GGGA CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 4261358 PUMROWBFLGVTTG-LPYMAVHISA-N 384.432 3.022 50 50 GGGA C[C@@H](Br)C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 665887143 BJHSCBDYLCUECJ-LLVKDONJSA-N 389.315 3.020 50 50 GGGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cc2ccccc2[nH]c1=O 2521980 AHXYWPREPILQAH-ZVBGSRNCSA-N 390.226 3.364 50 50 GGGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/C(C)=C\c2ccccc2)cc1 25759015 CCJPSOANMQGEOU-BEWIEFEOSA-N 379.460 3.411 50 50 GGGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4ccccc4Cl)[C@@H]3[C@H]1CC2 253390198 WHMVSIICGXGYPV-WSFKTYETSA-N 375.863 3.226 50 50 GGGA CC[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)CC[C@@H]1NC(=O)CCl 1875383692 CSMMECHPLGBVDL-LPHOPBHVSA-N 376.928 3.090 50 50 GGGA O=C(CCl)NCc1ccc(CNC(=O)c2coc3c2CCCC3)c(F)c1 1875384921 YMWXCXGNISXWFT-UHFFFAOYSA-N 378.831 3.083 50 50 GGGA O=C(OCCCl)Oc1c(Br)cc2oc(=O)sc2c1[N+](=O)[O-] 4474051 BXUYXGCHMLKIII-UHFFFAOYSA-N 398.574 3.279 50 50 GGGA CN(C(=O)C[C@@H]1C[C@H]1Cc1ccccc1)C1CCC(NC(=O)CCl)CC1 1875383549 YOYDBSGPVQRSIH-SMVLHYPJSA-N 376.928 3.380 50 50 GGGA CC(NNC(=O)c1ccccc1Br)=C1C(=O)c2ccccc2C1=O 1204149 HLWRDRQFMAQYBB-UHFFFAOYSA-N 385.217 3.037 50 50 GGGA COC(=O)COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c(O)c2ccccc12 4831628 RMLXUQOLWLUIAU-UHFFFAOYSA-N 397.339 3.225 50 50 GGGA CCCCCCCCCC(=O)NNC(=O)CC(=O)Nc1ccccc1C(=O)O 78062224 DOWFUSATUNHINF-UHFFFAOYSA-N 391.468 3.002 50 50 GGGA C[C@H](Oc1ccc2ccccc2c1)C(=O)NNc1nc(-c2ccncc2)no1 792124517 ZJYNMCDXCLLZMV-ZDUSSCGKSA-N 375.388 3.195 50 50 GGGA CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccccc1 1022224 YVRRHUGPDGTDJL-BUVRLJJBSA-N 389.411 3.463 50 50 GGGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1 731380 BHSXTIUEJMKUOH-YDZHTSKRSA-N 390.395 3.389 50 50 GGGA CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12 4058281 DXMGLLMYIKNFJL-UHFFFAOYSA-N 398.488 3.490 50 50 GGGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)Nc2ccccc21 6823989 QUTDSKHXSJAHNX-SECBINFHSA-N 378.215 3.233 50 50 GGGA C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 2163695 CWYAAOQLAKBZHC-QGZVFWFLSA-N 384.819 3.175 50 50 GGGA O=C(Cc1ccc(Cl)c(Cl)c1)NNC(=O)Nc1cccc([N+](=O)[O-])c1 2852341 QCQOCKRPTRIOCX-UHFFFAOYSA-N 383.191 3.297 50 50 GGGA Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccccc1Cl 3185280 JFIZNCQTKAWGSP-SRZZPIQSSA-N 384.823 3.069 50 50 GGGA CCOc1ccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c(O)c1 16677621 NIEBEBMCMSEVKV-DZCITIIWSA-N 392.411 3.234 50 50 GGGA O=C(Nc1cccc2ccccc12)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239309237 HIVUJUYHDXHLEM-HRTQJFGHSA-N 386.245 3.349 50 50 GGGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c(OC)c1C 5532462 SFSWVEHKXOYONP-QGZVFWFLSA-N 390.395 3.337 50 50 GGGA COc1cc(/C=N/NC(=O)c2cnccn2)ccc1OCc1ccc(Cl)cc1 2531206 UEPJTOFNFAZHCA-BHGWPJFGSA-N 396.834 3.482 50 50 GGGA COc1ccc(CC(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)cc1OC 2531702 YZZZGMMUYITTDE-UHFFFAOYSA-N 397.859 3.057 50 50 GGGA N#CCC(=O)N/N=C(/C[C@]1(O)CNc2c(Cl)ccc(Cl)c21)c1ccco1 5896556 IXFQXHTWLDNOQZ-SLCIXIPPSA-N 393.230 3.024 50 50 GGGA O=C(Cc1nsc2ccccc12)NC[C@@H](NC(=O)CCl)c1ccccc1 1875384072 KZCHJHWKQVHRPI-MRXNPFEDSA-N 387.892 3.051 50 50 GGGA COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)O 2864746 WUZAXZTUSAFRQJ-NTUHNPAUSA-N 386.791 3.358 50 50 GGGA COc1cc(/C=N/NC(=O)COc2c(C)cc(C)cc2C)cc(OC)c1OC 1210985 NAPWCPLFLVMOFX-SSDVNMTOSA-N 386.448 3.167 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccc(C)o2)nnc1-c1ccc(OC)cc1 864034 HTHYPVFEFZVFOD-RGVLZGJSSA-N 399.476 3.117 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccc(O)c(OC)c2)nc2ccccc21 730033 NIDLBYUMDXJMNJ-RGVLZGJSSA-N 384.461 3.013 50 50 GGGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 100913061 ZFAOYYYAQQDPJK-ROUUACIJSA-N 394.383 3.494 50 50 GGGA COc1ccccc1NC(=S)NNC(=O)CSCc1ccccc1C 6632643 NXZSRYRWYPZGOA-UHFFFAOYSA-N 375.519 3.255 50 50 GGGA COc1cccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c1OC 16677661 IAXYRUNSJJUHKL-BRTCBXNNSA-N 392.411 3.147 50 50 GGGA CC1(C)C[C@H](NC(=O)C(Cl)Cl)C[C@@](C)(CNC(=O)C(Cl)Cl)C1 695839 QDZKVAGCIPOBRA-RMLUDKJBSA-N 392.154 3.411 50 50 GGGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(Cl)ccc2O)cc1 2942463 HKUVLMAZPBIFBY-CIAFOILYSA-N 389.839 3.313 50 50 GGGA Cc1ccc2c(c1)C[C@H](C(=O)N(C)CC[C@@H](NC(=O)CCl)C(C)C)S2 1875383944 HNUGPUVCXZYGFN-NVXWUHKLSA-N 382.957 3.240 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@H](c2cccnc2)C2=C1C[C@H](c1ccccc1)CC2=O 1010325 SQPJDZDZNBZELZ-UWJYYQICSA-N 385.471 3.052 50 50 GGGA CC(C)C(=O)c1ccc([C@@H](C)C(=O)NNc2nc(-c3ccncc3)no2)cc1 374826176 FBPRWNWFSWBYRQ-CYBMUJFWSA-N 379.420 3.217 50 50 GGGA O=C(N/N=C/c1coc2ccccc2c1=O)C(=O)Nc1cccc2ccccc12 4330056 NHBMXMFEBYMUPJ-FSJBWODESA-N 385.379 3.035 50 50 GGGA C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(Br)cc1 4976164 RMDMDXGNYVJALY-YDDPGSGASA-N 375.222 3.129 50 50 GGGA C/C(=N/NC(=O)Cc1ccc(-c2ccccc2)cc1)c1c(O)cc(C)oc1=O 17076943 QSOHQIXCIQMHPW-HAHDFKILSA-N 376.412 3.404 50 50 GGGA CCOC(=O)c1ccc(NC(=O)NNC(=S)Nc2ccc(F)cc2F)cc1 5041428 RPVBJCFYTRGZMF-UHFFFAOYSA-N 394.403 3.165 50 50 GGGA CCC1(NC(=O)CCl)CCN(C(=O)CCc2ccc(Cl)s2)CC1 1875384535 SAMZXRIYKZHNOT-UHFFFAOYSA-N 377.337 3.460 50 50 GGGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)ccc3O)[nH]n2)o1 1829480 IDOIZGKNJYHUQH-QGMBQPNBSA-N 389.209 3.210 50 50 GGGA CCn1c(SCC(=O)N/N=C/C=C/c2ccco2)nnc1-c1ccccc1 2331109 PVVBAGUAIVBWBE-UPINRHINSA-N 381.461 3.466 50 50 GGGA Cc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1 4231836 OUBYAGNGTMSFAK-DEDYPNTBSA-N 383.429 3.153 50 50 GGGA CC(=O)O[C@@H](c1ccccc1)c1nc(C2CCN(C(=O)[C@@H](C)Cl)CC2)no1 1875364915 XZDSZMBEDKKWCJ-WBMJQRKESA-N 391.855 3.055 50 50 GGGA O=C(CCc1ccc(O)c(O)c1)NNC(=S)Nc1ccccc1C(F)(F)F 2858588 AONVYOXURMXNET-UHFFFAOYSA-N 399.394 3.067 50 50 GGGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cccc(OC)c1OC 1426849 ZTWWINIXDYZVOA-AWEZNQCLSA-N 386.429 3.079 50 50 GGGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)s2)n[nH]1 5446499 TYOUIZULTMBBEM-CAOOACKPSA-N 375.797 3.464 50 50 GGGA CC(C)(CC(=O)N1C[C@@H](NC(=O)CCl)[C@H](C2CC2)C1)c1ccc(F)cc1 1875383005 BFZIBLYUUINIIM-DLBZAZTESA-N 380.891 3.085 50 50 GGGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)[C@]2(C)CCc3ccccc3C2)CC1 1875384283 NUDYRAZRPGGOAE-QVKFZJNVSA-N 376.928 3.164 50 50 GGGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc2c(c1)OCO2 717996 YZLYTWGSCOKGFJ-HXPMCKFVSA-N 376.368 3.217 50 50 GGGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccccc1Cl 5442606 WONMBSNSFRGSRN-UHFFFAOYSA-N 392.640 3.497 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2cc(OC)ccc2OC)nc2ccccc21 1835553 IVDRPOBLAAVBPX-CIAFOILYSA-N 398.488 3.316 50 50 GGGA C=CCc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)c1O 9065060 GHIWMLGQIJVCJU-LPYMAVHISA-N 376.416 3.283 50 50 GGGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc2ccccc2nc1Cl 4209387 UEMPIQWDPDCWCI-KEBDBYFISA-N 384.779 3.326 50 50 GGGA COc1ccc(OC)c(NC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)c1 2141514 ALVQIXOPLXJCBY-UHFFFAOYSA-N 384.219 3.477 50 50 GGGA CC(C)NC(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799752826 GYMAERJEDGSCJG-UHFFFAOYSA-N 390.365 3.472 50 50 GGGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(O)cc2)nnc1-c1ccccc1 863982 YKEHEKSVOVUPLA-KGENOOAVSA-N 395.488 3.303 50 50 GGGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1cccs1 4209634 ZWXWFALUGUCSRF-UFWORHAWSA-N 377.878 3.496 50 50 GGGA C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N/NC(=O)[C@H]1C[C@H]1c1ccccc1 12342855 KKVNQYWVBZCMRP-NGGAMFONSA-N 380.404 3.219 50 50 GGGA O=C(CCl)NCc1ccc(CNC(=O)C2([C@H]3CCCCO3)CCC2)c(F)c1 1875384509 RISLFOMKUSSBFZ-QGZVFWFLSA-N 396.890 3.036 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccoc2)[C@@H]2CN(Cc3ccccc3)CC=C12 4312182 ULQCGIOBVGQHAG-RTWAWAEBSA-N 381.439 3.205 50 50 GGGA O=C1CN(c2ccccc2)/C(=N/NC(=O)c2cccc(Br)c2)S1 4710102 MLDIHCAJUFETNB-MNDPQUGUSA-N 390.262 3.230 50 50 GGGA O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4ccccc4N1[C@@H]25)C/C3=C\CBr 216204797 PYCYURJYTDMNSJ-GQFJPTJGSA-N 397.316 3.399 50 50 GGGA O=C(NNC(=O)C(O)(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1 1200462 ZLRBXMCQPSCZRG-UHFFFAOYSA-N 395.846 3.429 50 50 GGGA Cc1cccc(C(=O)N[C@H](C)C(=O)NNc2ccc(Br)c(C)c2)c1 114888323 CYQIUICZPQRSPD-CYBMUJFWSA-N 390.281 3.328 50 50 GGGA COc1ccc2nc(NC(=O)CCC(=O)OC(CCl)CCl)sc2c1 2750319 NRWPIHYTHMYCNI-UHFFFAOYSA-N 391.276 3.413 50 50 GGGA C/C(=N\NC(=O)c1csc2c1CCCC2)c1ccc(NS(C)(=O)=O)cc1 17079995 MNMMGOFEBAYGEY-XDHOZWIPSA-N 391.518 3.152 50 50 GGGA C[C@H](NC(=O)CCl)C1CCN(C(=O)[C@@]2(C)CCc3ccccc3C2)CC1 1875384282 NUDYRAZRPGGOAE-BTYIYWSLSA-N 376.928 3.164 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@@H]2C1 4457853 FIBCZOKUUCHZNF-MJGOQNOKSA-N 377.879 3.475 50 50 GGGA CCCCCn1c(=O)c(C(=O)N/N=C/c2ccncc2)c(O)c2ccccc21 102264850 DNAFNLXAXRKPKQ-OEAKJJBVSA-N 378.432 3.056 50 50 GGGA COc1cc(/C=N/NC(=O)c2cc(O)ccc2O)ccc1OCc1ccccc1 13322519 WLOMNUORGSCDJI-YDZHTSKRSA-N 392.411 3.449 50 50 GGGA CCOC(=O)/C(C)=C\CC[C@@]12CCC[C@@H](OC1=O)[C@@H]2I 1501071680 KSKKFOONRBILKY-WZDSXNDXSA-N 392.233 3.175 50 50 GGGA C=CCc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(OCC)cc2)c1O 2746068 GNZNTQVBQUCHHK-HZHRSRAPSA-N 395.459 3.388 50 50 GGGA O=C(NNc1cncc(Br)c1)c1ccc(Br)cc1O 242106339 WIXHUPJSRCMOEZ-UHFFFAOYSA-N 387.031 3.069 50 50 GGGA Cc1nc(C)c(C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)o1 1875383624 AUNRSFHNVDDIIZ-QGZVFWFLSA-N 385.851 3.271 50 50 GGGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(C(=O)OC)cc1 102294195 UYUGSTMPQDXXLO-HZHRSRAPSA-N 389.496 3.180 50 50 GGGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1c[nH]c2ccccc12 43190650 HNUXESUMJGUWLX-NUGSKGIGSA-N 389.242 3.355 50 50 GGGA CC(=O)Nc1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1F 799752848 VKMJFDOBANFLDU-UHFFFAOYSA-N 380.301 3.431 50 50 GGGA Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c4ccccc4n(C)c3s2)cc1 1405553 XWBUTOIVPANVTN-UHFFFAOYSA-N 399.497 3.325 50 50 GGGA O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)[C@H]1C[C@]12CCc1ccccc12 748341738 YXJIGAPWEUYIOW-KOSHJBKYSA-N 397.482 3.375 50 50 GGGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 752560 NEQCPFZJRKJIFO-AWEZNQCLSA-N 377.238 3.484 50 50 GGGA COc1ccc(/C=N/c2cnn(C)c2C(=O)NCc2ccco2)cc1CCl 2797895 XYLCCFUABLYJML-UFFVCSGVSA-N 386.839 3.441 50 50 GGGA COc1ccccc1NC(=S)NNC(=O)CSCc1cccc(C)c1 6631196 XJSQMYHALMXDRE-UHFFFAOYSA-N 375.519 3.255 50 50 GGGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1 5093827 SRFLNEVDKNBAOK-UHFFFAOYSA-N 381.395 3.316 50 50 GGGA O=C(Cc1cccc2ccccc12)NNC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 246313030 JYLPSQYAXMVGLS-YMPZKCBVSA-N 385.467 3.441 50 50 GGGA COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)cc1 854005 GHGDDBFFDNHOAO-MUPHDSPYSA-N 379.460 3.305 50 50 GGGA CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2963599 MQBCDHBDMHHPRE-KEBDBYFISA-N 379.247 3.148 50 50 GGGA CCCCCCn1c(=O)c(C(=O)N/N=C/c2ccncc2)c(O)c2ccccc21 102264854 JGZNGQCDRIPQDV-BUVRLJJBSA-N 392.459 3.446 50 50 GGGA O=C(CSc1nc2ccccc2s1)NNC(=S)NC1CCCCC1 2543634 AXDNEDMLJNWMEF-UHFFFAOYSA-N 380.564 3.216 50 50 GGGA C/C(=N\NC(=O)c1ccccc1I)c1cccc(N)c1 4550683 UCYXEDPLRLYSDY-VCHYOVAHSA-N 379.201 3.027 50 50 GGGA O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1 4997074 FZQMUPYKJXSHRH-GIJQJNRQSA-N 380.629 3.191 50 50 GGGA Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1209815 DTRKWYVNPMDCPY-IBGZPJMESA-N 387.399 3.366 50 50 GGGA O=C(Cc1cccc2ccccc12)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 947057 GGMQHZGWNUHXRH-SRZZPIQSSA-N 377.356 3.170 50 50 GGGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)cc1 4260365 OKOPNBDNWWPXBG-YDZHTSKRSA-N 387.867 3.399 50 50 GGGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(Br)o1 626062 QHCGLHQLCUOLLQ-ZDUSSCGKSA-N 385.173 3.367 50 50 GGGA O=C(N/N=C/c1ccc(O)cc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 2906236 KMXMGFPVGLJWHZ-KKLLDSGKSA-N 385.423 3.313 50 50 GGGA COc1ccc(/C=N/NC(=O)c2cccc(OC(F)(F)C(F)F)c2)cc1O 668643 JIQIBUZKAGHGBJ-LSFURLLWSA-N 386.301 3.401 50 50 GGGA COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 5489888 SZHOZKGDOOEKQN-MRXNPFEDSA-N 389.371 3.212 50 50 GGGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)s3)c2[C@]12C(=O)Nc1ccccc12 718718 PQLYUKYYRDBGEI-GOSISDBHSA-N 395.831 3.116 50 50 GGGA CCOC(=O)/C(C)=C\CC[C@@]12CCC[C@@H](OC1=O)[C@H]2I 1501071678 KSKKFOONRBILKY-QTBVLSCXSA-N 392.233 3.175 50 50 GGGA COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)[C@H](C)Cl)c2C)c1 1875377992 SWBKGPVPUIOEOZ-YVEFUNNKSA-N 377.872 3.025 50 50 GGGA COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2sc(C)cc2C(=O)OC)cc1 6825566 JJAANMGJUNEXAS-NTEUORMPSA-N 384.413 3.175 50 50 GGGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)c1O 867994 LOUAUGKGUWMJLD-QGMBQPNBSA-N 376.825 3.270 50 50 GGGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)sc2c1CCCC2 4209439 BUZZFPXXGWKHNE-UFFVCSGVSA-N 386.864 3.241 50 50 GGGA CCn1c(SCC(=O)N/N=C(\C)c2ccccc2O)nnc1-c1ccccc1 5445090 BAWVOOLGRIFPAA-KGENOOAVSA-N 395.488 3.303 50 50 GGGA COc1ccc(Br)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 1054286 FGTGJKJDYIDVTC-RQZCQDPDSA-N 378.182 3.130 50 50 GGGA C[C@H](Cl)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 1875363701 SGDABYMTLMUVQU-LIRRHRJNSA-N 388.870 3.065 50 50 GGGA O=C(CCC(=O)Nc1ccccc1Cl)NNC(=O)Nc1ccc(F)cc1F 2851522 OPCJHJAVISGYAQ-UHFFFAOYSA-N 396.781 3.190 50 50 GGGA COc1ccc2c(c1OC)C1=CC(=O)[C@H](Br)C[C@]13CCN(C)[C@H]3C2 4565716 JQOULQFBEKJTJO-ACWOFJMJSA-N 392.293 3.070 50 50 GGGA COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(N)=O 1195926 WWXRHVRPMVHDPE-VGOFMYFVSA-N 399.834 3.067 50 50 GGGA CCOc1cc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc(Br)c1O 1148519 KFNCHTJWNOXPSD-HNNXBMFYSA-N 393.237 3.224 50 50 GGGA COc1cc(OC)c(/C=N/NC(=O)COc2ccc3c(c2)CCCC3)c(OC)c1 39930221 ZPZSSJWVDANRHZ-YDZHTSKRSA-N 398.459 3.120 50 50 GGGA CC(C)(C)[Si](OC[C@](C)(CO)CCCO)(c1ccccc1)c1ccccc1 169837945 LJVWNZNKPUMNCH-QHCPKHFHSA-N 386.608 3.334 50 50 GGGA COc1ccc(C[C@@H]2OC[C@H]3OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O2)cc1 169834239 WOKDMNFFZGRQJZ-ZJPYXAASSA-N 394.540 3.295 50 50 GGGA O=C(CCc1ccccc1)NNC(=S)Nc1ccc(Br)cc1 6402833 ATVNSFHWMUWFDQ-UHFFFAOYSA-N 378.295 3.400 50 50 GGGA Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 5595735 BPHAAKDJICSRKJ-QFIPXVFZSA-N 383.411 3.018 50 50 GGGA CC(C)[C@H](CCN(C)C(=O)c1snc(Cl)c1Cl)NC(=O)CCl 1875384127 LQOIDBLNMZHCTJ-QMMMGPOBSA-N 386.732 3.292 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2C(F)(F)F)C2=C1CCCC2=O 691086 RUVHLRVWQGZIPW-INIZCTEOSA-N 376.382 3.282 50 50 GGGA N#CC1=C(SCC(N)=O)NC(=O)C[C@@H]1c1cccc(Oc2ccccc2)c1 841880 GEQWMZPCLFIAQF-MRXNPFEDSA-N 379.441 3.036 50 50 GGGA CN(C)c1ccc(-c2cccc(NC(=O)NNC(=O)c3ccncc3)c2)cc1 1875252779 VRXUDUBRDLHIFD-UHFFFAOYSA-N 375.432 3.281 50 50 GGGA O=C(CCl)NC1CC2(CCCCN2C(=O)Cc2ccc3ncsc3c2)C1 1875383016 CAGYOKKBIJCFSC-UHFFFAOYSA-N 391.924 3.108 50 50 GGGA COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N1 2863413 MEURWBWDWHFDFD-MRXNPFEDSA-N 392.864 3.115 50 50 GGGA O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 246758360 XZPMOFPSDFZYJP-YMPZKCBVSA-N 385.467 3.441 50 50 GGGA Cc1ccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)c(C)c1 5578371 CIRWOPKXAJADOV-WSDLNYQXSA-N 378.432 3.032 50 50 GGGA CCN(CC)C(=O)Nc1ccc(C(=O)N/N=C\c2ccc(O)c(OC)c2)cc1 37246130 FVGSNDHDYSLUDM-BKUYFWCQSA-N 384.436 3.038 50 50 GGGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 4259155 LCHPNFSVVIVMNA-OEAKJJBVSA-N 375.384 3.073 50 50 GGGA COc1cccc(NC(=S)NNC(=O)CSCc2ccc(C)cc2)c1 6400715 GLBRTAPLUYPDMX-UHFFFAOYSA-N 375.519 3.255 50 50 GGGA Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C1\C(=O)N(C)c2ccccc21 5613141 SBOHYWIHGLKNNH-GFMRDNFCSA-N 379.460 3.168 50 50 GGGA COc1ccc(NC(=S)NNC(=O)c2cccc(OC(C)C)c2)c(OC)c1 2855925 ZNMRNAITHPFMHI-UHFFFAOYSA-N 389.477 3.122 50 50 GGGA O=C(CSc1ccc(/C=N/NC(=O)c2ccncc2)o1)Nc1ccccc1 1210807 QRASBUCOWAMQLY-CIAFOILYSA-N 380.429 3.169 50 50 GGGA C#CC[C@@]1(C(=O)NCc2ccc(CNC(=O)CCl)cc2F)CC=CCC1 1875384445 PNIIMAMXGGVEBT-HXUWFJFHSA-N 376.859 3.047 50 50 GGGA CC1(C)CCc2cc(CN(C[C@@]3(C)CCC(=O)N3)C(=O)CCl)ccc2O1 1875383826 FOWBZRRBQZVMBG-HXUWFJFHSA-N 378.900 3.026 50 50 GGGA CCCc1n[nH]c2c1[C@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1108462 HBNJRGWWEPSKJW-CYBMUJFWSA-N 375.226 3.048 50 50 GGGA O=C(CSc1ncccn1)N/N=C/c1ccc(OCc2ccccc2)cc1 1191864 NWKDHKAMGUWWHV-YDZHTSKRSA-N 378.457 3.298 50 50 GGGA CCOC(=O)[C@]1(C#N)C(C#N)=C(N)C2=CCCC[C@@H]2[C@H]1c1ccccc1OC 139534142 UCFGJXURHIVFAH-OSGPJOMKSA-N 377.444 3.328 50 50 GGGA CCc1noc2ncc(C(=O)NNC(=O)c3cc4c(s3)CC[C@H](C)C4)cc12 170649504 GSKOAINQXZXRLH-JTQLQIEISA-N 384.461 3.046 50 50 GGGA O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccccc1Cl 2566415 RCSZQOZNYWFQPN-GIJQJNRQSA-N 380.629 3.191 50 50 GGGA CN1C(=C(C#N)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])N(C)c2ccccc21 104203445 HAUAMSNKRZVTOX-UHFFFAOYSA-N 396.319 3.190 50 50 GGGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccc(OCC)c3O)[nH]n2)c1 9046076 RBSLNFDIUJCVRV-LPYMAVHISA-N 394.431 3.344 50 50 GGGA CC(C)(C)c1cc(/C=N/NC(=O)CN2CCSCC2)cc(C(C)(C)C)c1O 1228314 HMHILKZFWCRYKG-LPYMAVHISA-N 391.581 3.486 50 50 GGGA C/C(=N/NC(=O)c1ccccc1Cl)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25781630 KWZNITWOVJPTPC-JAIQZWGSSA-N 398.810 3.291 50 50 GGGA CC[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CC[C@@H]1NC(=O)CCl 1875383686 CRAJAGBEHMOHLX-MSOLQXFVSA-N 376.928 3.382 50 50 GGGA O=C(CCl)NC1(CNC(=O)c2sccc2OC(F)F)CCCCC1 1875383786 DXNGZLDVKMZYEK-UHFFFAOYSA-N 380.844 3.137 50 50 GGGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCCO 100528497 NSNWMKPWILZRHU-HXUWFJFHSA-N 382.460 3.194 50 50 GGGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)[C@@H]1C[C@@H]1c1ccccc1 3110126 VIOIZLXGSJNBRQ-NEBKDIACSA-N 387.233 3.432 50 50 GGGA COc1cc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1O 19791453 ITSNJEXYAPEBOW-LFVJCYFKSA-N 390.439 3.177 50 50 GGGA CCc1nc(CN(Cc2sncc2Br)C(=O)CCl)co1 1875384053 KQSUDTPGDKUVKV-UHFFFAOYSA-N 378.679 3.224 50 50 GGGA COc1ccc(Cl)cc1NC(=S)NNC(=O)[C@@]1(C)CC1(Cl)Cl 13496755 DVJUIESPHLXJBC-GFCCVEGCSA-N 382.700 3.250 50 50 GGGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc3ccccc23)cc1 4302848 FPDZBCCEKXGBSC-ZVHZXABRSA-N 375.428 3.119 50 50 GGGA O=C(COc1ccc(Cl)cc1)NNC(=O)NC12CC3CC(CC(C3)C1)C2 4614919 WSQVXKDLAADWER-UHFFFAOYSA-N 377.872 3.018 50 50 GGGA CCCCNC(=S)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12 6629034 FJKYERKJUSLUFI-UHFFFAOYSA-N 379.489 3.206 50 50 GGGA C[C@@H]1CCc2[nH]c3ccc(C(=O)NNc4nc(-c5ccncc5)no4)cc3c2C1 170831257 PWMMVFNVXMBNRS-GFCCVEGCSA-N 388.431 3.495 50 50 GGGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCC)cc2)cc1 4259131 RUBALSMQJDFHDU-PXLXIMEGSA-N 383.448 3.353 50 50 GGGA O=C(N/N=C/c1cccc(Br)c1)c1ccc(N2CCCC2=O)cc1 822291 GUKKIGYAPSDKOF-UDWIEESQSA-N 386.249 3.340 50 50 GGGA O=C(CNc1cccc2ccccc12)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 1233318 HBKAEVLOGRWEAQ-LSHDLFTRSA-N 392.371 3.039 50 50 GGGA CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1 4366051 JTVUKBMXZQMVBM-YBFXNURJSA-N 377.238 3.377 50 50 GGGA CCCc1n[nH]c2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 5024285 GHACQPBZNIJMHY-CYBMUJFWSA-N 377.217 3.482 50 50 GGGA COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=S)Nc1ccc(Cl)cc1 5041962 UXBQQBHAQGHCQQ-UHFFFAOYSA-N 395.828 3.280 50 50 GGGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 2544343 MBEJXEZYAVCTAP-LSHDLFTRSA-N 394.258 3.272 50 50 GGGA COc1ccccc1NC(=O)NNC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 17081235 KPGRDXDQVYQRRB-LLVKDONJSA-N 397.353 3.334 50 50 GGGA CCc1c(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)csc1C 225591035 ZRMPTEDZFYNXCJ-CLROSIBMSA-N 390.505 3.073 50 50 GGGA Cc1ccc2nc(C)cc(C(=O)NNC(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 5061138 UFWNBRQECAQVMG-UHFFFAOYSA-N 379.376 3.226 50 50 GGGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Cl)cc1 4261064 FRUIMDALTZURPQ-YDZHTSKRSA-N 387.867 3.399 50 50 GGGA CCOc1ccc(NC(=S)NNC(=O)CSCc2ccc(F)cc2)cc1 6393587 QYEMGONMNKGNEE-UHFFFAOYSA-N 393.509 3.475 50 50 GGGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccccc1Br 1228402 LGPLSDCSUJWKNT-AWEZNQCLSA-N 377.238 3.484 50 50 GGGA COc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)cc1OC 5353262 RLIJDQIQKHLCOB-FSJBWODESA-N 389.415 3.339 50 50 GGGA O=C(CCl)NC1(CNC(=O)c2nsc3ccccc23)CCCCCC1 1875384467 QDDLFBKIFHMSGC-UHFFFAOYSA-N 379.913 3.474 50 50 GGGA COc1ccc(C(=O)NNC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 1118502 UIDGUGHVWZZVKT-UHFFFAOYSA-N 383.326 3.189 50 50 GGGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c(OC)c1C 5532461 SFSWVEHKXOYONP-KRWDZBQOSA-N 390.395 3.337 50 50 GGGA Cc1ccccc1C1(C(=O)NNc2nc(-c3ccccc3)no2)CCOCC1 264734517 IWZZIAXHARLUGG-UHFFFAOYSA-N 378.432 3.237 50 50 GGGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1 4698276 MKVJMULEMIWYKU-LJQANCHMSA-N 385.423 3.321 50 50 GGGA O=C(Cc1cccc2ccccc12)NNC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 130424020 JYLPSQYAXMVGLS-AKIFATBCSA-N 385.467 3.441 50 50 GGGA COc1c(O)cc(/C=N/NC(=O)CNc2cccc(C)c2)cc1Br 5740548 SLHQITIHWCYPAD-AWQFTUOYSA-N 392.253 3.034 50 50 GGGA CCOc1ccc(NC(=O)NNC(=O)c2cc(Br)ccc2O)cc1 2856205 OHPKUWXBKGGGQL-UHFFFAOYSA-N 394.225 3.020 50 50 GGGA O=C(CSCC(=O)Nc1ccccc1)N/N=C/c1c(O)ccc2ccccc12 2870205 SDYUMPAATOFHQA-WSDLNYQXSA-N 393.468 3.367 50 50 GGGA CCOC(=O)[C@H]1C(O)=NC(SCC)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 875492 TWRACQURKHMAGE-ZIAGYGMSSA-N 375.406 3.316 50 50 GGGA COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1cccs1 1216369 JWYMMDJLMQEUTH-CIAFOILYSA-N 381.413 3.135 50 50 GGGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1nn(CCO)c(N)c1C#N 4118848 UBTHXSRCVFGKQT-UKTHLTGXSA-N 379.807 3.307 50 50 GGGA COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(Cl)cc1Cl 2530586 LUACTRIEEDPRRR-DNTJNYDQSA-N 382.203 3.223 50 50 GGGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1ccc(O)cc1O 4365947 SIULBMBLKGBJPT-YDZHTSKRSA-N 392.411 3.206 50 50 GGGA CCc1sc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)cc1Br 792567 SJSXWMUFKLRKCO-CYBMUJFWSA-N 383.267 3.328 50 50 GGGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 946781 ZZXWYZBIBJHSCN-QGMBQPNBSA-N 389.824 3.367 50 50 GGGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F 2770034 JWFRUKKHWQOWFL-KCJUWKMLSA-N 394.560 3.006 50 50 GGGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1cc2c(cc1Br)OCO2 252320766 QOGSGSHRKRPWFB-LIKSQFFXSA-N 379.254 3.454 50 50 GGGA Cc1cccc2c1N(C)C(=O)/C2=N\NC(=O)COc1ccc(Cl)cc1Cl 5520573 AUEHVVPEBADQGP-JWGURIENSA-N 392.242 3.178 50 50 GGGA C#CCN(C(=O)c1cc(Cl)ccc1Cl)C1CCN(C(=O)CCl)CC1 1875383938 HMVTUHRSTDXKQC-UHFFFAOYSA-N 387.694 3.299 50 50 GGGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 100915701 AADNCSSTCXBZDF-HDICACEKSA-N 394.383 3.494 50 50 GGGA C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1cccc(NC(=O)c2ccco2)c1 5381621 SMMKUWNRJHSYPQ-WQZUMXOESA-N 377.400 3.106 50 50 GGGA COc1ccccc1[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H](C)Cl 1875375640 GXLXJBJMXWNCLM-ZKYQVNSYSA-N 392.805 3.033 50 50 GGGA CC[C@@H]1CN(C(=O)CCOc2cc(C)cc(C)c2)CC[C@H]1NC(=O)CCl 1875384561 SRVGZNSNBIMSDQ-SJLPKXTDSA-N 380.916 3.054 50 50 GGGA COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1OC 634303 MKHNPNQSUDSUQW-INIZCTEOSA-N 376.368 3.028 50 50 GGGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(O)cc1oc(=O)cc(C)c21 22590830 GRXPWFXJJNSDEH-SFHVURJKSA-N 376.368 3.034 50 50 GGGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1csc(C)c1C 6825612 MDLSCYLXQJVTKH-UHFFFAOYSA-N 383.520 3.153 50 50 GGGA COc1ccc(C(=O)Nc2cccc(OCCNC(=O)[C@@H](C)Cl)c2)cc1 1875363704 SLUPOZJNZZNKIW-CYBMUJFWSA-N 376.840 3.070 50 50 GGGA O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Br)c1 1230014 ONQBSRCBRPCXTP-UHFFFAOYSA-N 398.600 3.086 50 50 GGGA COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)O 15012366 XBIRTLNDSBEWLG-JYRVWZFOSA-N 386.791 3.358 50 50 GGGA O=C(NNC(=S)NCc1ccc(F)cc1)c1ccc(OC2CCCC2)cc1 1118302 LRNHHGFXFDEXCY-UHFFFAOYSA-N 387.480 3.456 50 50 GGGA CC(C)OCCCNC(=S)NNC(=O)C(c1ccccc1)c1ccccc1 13518856 AYCNGCFHDVJFRQ-UHFFFAOYSA-N 385.533 3.129 50 50 GGGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 4258989 IJRVWQKTRWPQKH-UFWORHAWSA-N 395.202 3.299 50 50 GGGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 5319029 FDADMNYRRQPEBO-UDWIEESQSA-N 379.376 3.148 50 50 GGGA O=C(CCl)NC1(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)CCC1 1875383788 DZEHGCHYKVHSEA-UHFFFAOYSA-N 382.247 3.003 50 50 GGGA Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 847160 FRIKCDIIBGHRLO-LJQANCHMSA-N 387.399 3.366 50 50 GGGA COc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 653321 ZAVBLXWOLJZHNX-HOTGVXAUSA-N 375.881 3.470 50 50 GGGA Cc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2[nH]nc(C)c21 5135307 GZHAVJUNKFVXSR-XFNZEKPQSA-N 389.459 3.031 50 50 GGGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)c1 946206 DVRMIHPQEIXMQP-UDWIEESQSA-N 379.376 3.148 50 50 GGGA Cc1cc(C)cc(CC(=O)N2C[C@@H](NC(=O)CCl)[C@H](CC(C)(C)C)C2)c1 1875383152 JBTYTYABBUDIEK-QZTJIDSGSA-N 378.944 3.464 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccnc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1010328 SQPJDZDZNBZELZ-DYESRHJHSA-N 385.471 3.052 50 50 GGGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)c(OC)c1 102294595 OOMHUCHDEIRPKB-HYARGMPZSA-N 377.485 3.108 50 50 GGGA CCOC(=O)C1=C(N)OC(CCl)=C(C#N)[C@@H]1c1ccccc1Br 694777 FWVKKSVMWYFWSP-ZDUSSCGKSA-N 397.656 3.313 50 50 GGGA COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2ccccc2n1C 12428127 HEYJOSYPZFBKES-WXYKTORPSA-N 380.473 3.489 50 50 GGGA CCc1cc(CN(Cc2cnn(-c3cccc(F)c3)c2)C(=O)CCl)on1 1875383616 ASLILGCKPMSQOO-UHFFFAOYSA-N 376.819 3.329 50 50 GGGA C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1cc2c(cc1Br)OCO2 5010396 QOGSGSHRKRPWFB-NUYNRPNXSA-N 379.254 3.454 50 50 GGGA CN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2cc(Br)ccc21 5648790 MYLKBRVGYWCXTM-RGEXLXHISA-N 392.640 3.213 50 50 GGGA C#CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 2838603 JYNZZBHEQCTCGE-QGZVFWFLSA-N 399.244 3.276 50 50 GGGA O=C(COc1ccc2c(c1)CCC2)NNC(=O)Nc1ccccc1C(F)(F)F 2852954 DGKAHHGSBOXATI-UHFFFAOYSA-N 393.365 3.426 50 50 GGGA COc1ccc(OCc2ccc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)o2)cc1 9704078 CXXLFHSORNJRDF-SFHVURJKSA-N 378.388 3.117 50 50 GGGA Cc1c(Cl)cccc1NC(=O)NNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 17080285 MXYIXGAXOQTFDR-LLVKDONJSA-N 392.799 3.177 50 50 GGGA Cc1cc(C)nc(S[C@H](C)C(=O)N/N=C/c2ccc(Br)cc2)n1 1193139 VXFHLPITPCLDRF-KBSHCFNASA-N 393.310 3.487 50 50 GGGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc2ccccc2[nH]c1=O 4229145 ZCLRCWIUOLWVFU-ZVBGSRNCSA-N 390.226 3.364 50 50 GGGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1 2544320 IPPRRDYSFRSLLK-ZVHZXABRSA-N 389.411 3.463 50 50 GGGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccco2)c(Br)c1 1071387 SXBYINODHKMVQD-UHFFFAOYSA-N 395.253 3.180 50 50 GGGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cnccn1 5903365 CGVYEBAIMMIFNF-BRJLIKDPSA-N 386.390 3.232 50 50 GGGA COc1ccc(OCC(=O)N/N=C(\C)c2cccs2)c(Br)c1 4526375 KUUVUKYDINJMHG-LICLKQGHSA-N 383.267 3.438 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccnc2)[C@@H]2CN(Cc3ccccc3)CC=C12 4451047 LTNWOHXEDMUQNL-YADHBBJMSA-N 392.466 3.007 50 50 GGGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 4283107 WRCYBRXFNLAKME-AFUMVMLFSA-N 391.402 3.498 50 50 GGGA CC[C@H]1CN(C(=O)Cc2ccc3c(c2)CCCC3)CC[C@H]1NC(=O)CCl 1875383693 CSMMECHPLGBVDL-QFBILLFUSA-N 376.928 3.090 50 50 GGGA COc1ccc(NC(=S)NNC(=O)c2oc3ccccc3c2C)cc1OC 2853883 PWGTXRCKKFWHJW-UHFFFAOYSA-N 385.445 3.390 50 50 GGGA COc1ccc(Br)cc1/C=N\NC(=O)CNc1ccccc1C 32603762 BUSWUHQUHOTQHM-JMIUGGIZSA-N 376.254 3.328 50 50 GGGA CCc1c(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)csc1C 239439272 ZRMPTEDZFYNXCJ-WRFANHODSA-N 390.505 3.073 50 50 GGGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1O 1500039 CXYQTTPYUVKCBK-QGMBQPNBSA-N 383.629 3.337 50 50 GGGA Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F 1248484726 PHHZKBMVRPULAW-UHFFFAOYSA-N 384.432 3.424 50 50 GGGA in-vitro N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 659487 VCPHGRDPRRVMML-IBGZPJMESA-N 387.399 3.295 50 50 GGGA CCOc1cccc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(OC)c(OC)c2)c1 6412379 MPICCWRAYWFAFG-YDZHTSKRSA-N 394.431 3.257 50 50 GGGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2 5564105 JHGJCBBDIBIKPL-KRWDZBQOSA-N 390.399 3.393 50 50 GGGA O=C(CCl)NC1(CNC(=O)[C@@H]2CCc3ccccc3C2)CCCCCC1 1875383810 FEUQYTWXTKOLBE-GOSISDBHSA-N 376.928 3.356 50 50 GGGA O=C(CCl)NC1(CNC(=O)c2ccn(-c3ccccc3)n2)CCCCCC1 1875384232 MTJVIDMQDVSFKK-UHFFFAOYSA-N 388.899 3.050 50 50 GGGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3)cc2)cc1 3097424 KQXGGHFCWQCXHT-OEAKJJBVSA-N 390.395 3.384 50 50 GGGA C/C(Cn1nnc2ccccc21)=N\NC(=O)COc1cc(C)c(Cl)c(C)c1 5679715 HJRGNWCYOCDTHW-KGENOOAVSA-N 385.855 3.273 50 50 GGGA N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)C[C@H]1c1ccccc1F 1143298 XEHNEMMPEFGSAQ-HNNXBMFYSA-N 387.480 3.346 50 50 GGGA CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)[nH]n2)cc1 9109586 CUVPCJLJXLRYAW-LPYMAVHISA-N 378.432 3.420 50 50 GGGA Cc1cc(NNC(=O)CCCNC(=O)c2cccs2)ccc1Br 114889437 HLODKVCROBDNIV-UHFFFAOYSA-N 396.310 3.472 50 50 GGGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 4231371 JBMWPWUQLXGVHC-YDZHTSKRSA-N 391.427 3.321 50 50 GGGA COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 794689912 DMZWBYXTJJDIDX-IHCWGGNOSA-N 394.427 3.331 50 50 GGGA COc1cccc([C@H]2C(C#N)=C(N)N3C(=O)c4ccccc4SC3=C2C#N)c1 4751274 NMXUWQOXRLIVSV-SFHVURJKSA-N 386.436 3.470 50 50 GGGA Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2 847161 FRIKCDIIBGHRLO-IBGZPJMESA-N 387.399 3.366 50 50 GGGA CCO[Si]1(OCC)C[Si](OCC)(OCC)C[Si](OCC)(OCC)C1 195979786 SPEDTQCGQOZHQP-UHFFFAOYSA-N 396.705 3.163 50 50 GGGA in-vitro CC(C)(CNC(=O)CCl)C1CCN(C(=O)C[C@@H]2OCc3ccccc32)CC1 1875384775 WWFZMSNCUFELKZ-SFHVURJKSA-N 392.927 3.268 50 50 GGGA CCOc1ccc(/C=N/NC(=O)c2ccccc2I)cc1 1229093 GHERKIAUWQOBTE-WOJGMQOQSA-N 394.212 3.454 50 50 GGGA CC(C)(C)c1nc(CC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)CCl)cs1 1875384468 QGWQGYWUWPFNPY-GXTWGEPZSA-N 385.961 3.013 50 50 GGGA COC(O)=C1C=CC(=N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)C=C1 334157942 ZLABCSDOIXTUQT-NWBAQFRXSA-N 376.821 3.462 50 50 GGGA C[C@]12CCN(C(=O)c3ncn4c3COc3ccccc3-4)C[C@@H]1[C@H]2Br 1875309281 DPBDDTABUZTATN-ONUMYQOESA-N 388.265 3.010 50 50 GGGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 660245 FFVJSEIVXHMZCF-GOSISDBHSA-N 384.432 3.163 50 50 GGGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc2c(cc1Br)OCO2 245226886 QOGSGSHRKRPWFB-NULXQDABSA-N 379.254 3.454 50 50 GGGA Cc1ccsc1/C=N/NC(=O)c1cc(I)ccc1O 1192118 QZBYJQATLCIZNQ-VIZOYTHASA-N 386.214 3.131 50 50 GGGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1453457 IHXQWJSEKBAURX-VDCVXVNISA-N 392.209 3.275 50 50 GGGA CN(C(=O)C1CCc2ccccc2CC1)C1CCC(NC(=O)CCl)CC1 1875383682 CEUNMTUUHWRVEK-UHFFFAOYSA-N 376.928 3.306 50 50 GGGA C/C(=N\NC(=O)c1cccc(C)c1O)c1cccc(NC(=O)C(F)(F)F)c1 13322096 XEHDGNFUQTZESI-FOKLQQMPSA-N 379.338 3.355 50 50 GGGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(C(F)(F)F)c3)[C@H]2C1 4473477 QZAVMRGXOHUPIQ-IRXDYDNUSA-N 383.377 3.061 50 50 GGGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc(OC)c(OC)c1 1429630 VGDLXNNCMJPBSZ-OAHLLOKOSA-N 386.429 3.079 50 50 GGGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(CN2CCOCC2)cs1 19873849 KFEFGCITSWBFSB-SFHVURJKSA-N 399.516 3.031 50 50 GGGA O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccnc1 1088286 OJJMOQAFMPSKRU-REZTVBANSA-N 399.042 3.076 50 50 GGGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3O)c2)cc1 2543116 IJBDTTOOCHTXJI-OEAKJJBVSA-N 390.395 3.384 50 50 GGGA CN(C)c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1[N+](=O)[O-] 5017538 ZSQQXDOOQORDFO-XNTDXEJSSA-N 399.414 3.365 50 50 GGGA CCC1=Nc2ccc(Br)cc2[C@H](c2ccccc2)N1CC(=O)NN 835865 QFMMELNBJKXCLB-SFHVURJKSA-N 387.281 3.284 50 50 GGGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 4180965 YGRJZGJYJUZCJL-IBGZPJMESA-N 387.399 3.295 50 50 GGGA CCCCCn1c(=O)c(C(=O)N/N=C/c2cccnc2)c(O)c2ccccc21 100731344 ZDYWILRORYIJHY-OEAKJJBVSA-N 378.432 3.056 50 50 GGGA CCN(CC)c1ccc(/C=N/NC(=O)c2c[nH]nc2-c2cccs2)c(O)c1 6693674 NUEHJSSXQVRABT-RGVLZGJSSA-N 383.477 3.454 50 50 GGGA C[C@H]1CCCN(C(=O)C2Cc3ccccc3C2)[C@@H]1CCCNC(=O)CCl 1875383596 ALJUGQUDHSDXOQ-HNAYVOBHSA-N 376.928 3.164 50 50 GGGA Cc1cc(C(=O)NC[C@@H](NC(=O)CCl)c2ccc(C(C)C)cc2)ns1 1875384785 XJTGUNIWQNTHAJ-MRXNPFEDSA-N 379.913 3.401 50 50 GGGA N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 4955757 BEPDBSCNEPGNBE-PTNGSMBKSA-N 375.388 3.372 50 50 GGGA COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1cccc(F)c1 1214075 XQLKRSUGCRSVGL-ZMOGYAJESA-N 393.374 3.212 50 50 GGGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccccc1Br 4282071 KAKOONVRYAWUAA-DJKKODMXSA-N 394.656 3.500 50 50 GGGA Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)NNC(=O)NC1CCCCC1 2781859 JZNNPWXWTDCBBW-SECBINFHSA-N 395.813 3.088 50 50 GGGA N#C/C(=C\c1c[nH]nc1-c1ccc(F)cc1)C(=O)NCc1ccc2c(c1)OCO2 17079596 UKEACWNTSLRJKK-OVCLIPMQSA-N 390.374 3.168 50 50 GGGA COc1ccc(OC)c(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c1 12362637 GUICHNXKTNIEMC-IVZMSFFOSA-N 392.411 3.147 50 50 GGGA CCc1cccc(CC)c1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239174228 POETUIVMDRQDPW-MMCSFCSJSA-N 392.293 3.321 50 50 GGGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 4033865 BROVGHOBXDWSTP-JPDQMXGXSA-N 391.387 3.423 50 50 GGGA NC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl 2543992 OBXHFGAKAQFGOQ-UFWORHAWSA-N 396.628 3.324 50 50 GGGA CC(C)(C(=O)N1CC[C@H](C(F)(F)F)[C@@H](NC(=O)CCl)C1)c1ccccc1 1875384206 MDOYVVHFHDPUJC-KBPBESRZSA-N 390.833 3.099 50 50 GGGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 4209840 PUTKNZHJOXVDMI-YDZHTSKRSA-N 387.867 3.399 50 50 GGGA C/C(=N\NC(=O)CCC(=O)Nc1ccc(C)cc1C)c1ccc([N+](=O)[O-])cc1 5793528 PJTJRYYCWORHOR-PXLXIMEGSA-N 382.420 3.471 50 50 GGGA O=[n+]1c2c(n(O)c3ccccc31)[C@H](Br)CC[C@@H]2Br 196415542 IMNHCNSQYQTMLX-SFYZADRCSA-N 375.040 3.459 50 50 GGGA C[C@H](NC(=O)CCl)C1CCN(C(=O)[C@H](c2ccc(F)cc2)C2CC2)CC1 1875383756 DNMXODRCERQTRQ-DJJJIMSYSA-N 380.891 3.301 50 50 GGGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1c(O)ccc2ccccc12 3113468 PAHWRFXVLMVPKT-FOKLQQMPSA-N 381.819 3.079 50 50 GGGA CCOP(=O)(CC(=O)NNC(=O)Nc1cccc2ccccc12)OCC 2896175 ZYTSAFCKKINQKR-UHFFFAOYSA-N 379.353 3.259 50 50 GGGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 9007534 ZOLJRGAWHPXTNO-UDWIEESQSA-N 379.376 3.148 50 50 GGGA O=[N+]([O-])c1ccc(N/N=C2\CO[C@@H](CCCBr)C2)c([N+](=O)[O-])c1 43761481 NCLLLEYVISYMAB-GPILYODUSA-N 387.190 3.235 50 50 GGGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 2769576 SIEZEBMXTAQTEC-LDYMZIIASA-N 394.560 3.006 50 50 GGGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl 4258556 QRTWJWSIYOGGAU-UFWORHAWSA-N 395.202 3.299 50 50 GGGA Cc1ccccc1OCC(=O)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 1202801 JWUHIEPQEXBWSF-FYJGNVAPSA-N 378.388 3.223 50 50 GGGA COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1cccc(OC)c1OC 4751306 FRJJMXAKQCWCOF-SFHVURJKSA-N 380.400 3.458 50 50 GGGA CCc1cc(C(=O)NNC(=S)Nc2sc(C)cc2C(=O)OC)cs1 6708653 VYLHZRGGQHKBBY-UHFFFAOYSA-N 383.520 3.098 50 50 GGGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc(Oc2ccccc2)c1 8748287 ULKMFYQCTRPJNG-IBGZPJMESA-N 388.379 3.143 50 50 GGGA CCn1ncc(NC(=S)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1C 6490085 UJSTVDIOZQPIRH-UHFFFAOYSA-N 375.542 3.136 50 50 GGGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Br 1227942 IFAGEZZGTNPZPF-HNNXBMFYSA-N 375.222 3.272 50 50 GGGA COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1O 4372664 IRMHKGZILIRKIO-VSMYLPJWSA-N 393.237 3.081 50 50 GGGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)Cc2ccc3c(c2)CCC3)cc1 1875383589 ACHKPJHYCILUPD-OAHLLOKOSA-N 384.907 3.450 50 50 GGGA C[C@@H](Sc1nc2ccccc2s1)C(=O)NNC(=S)NCc1ccco1 2858592 GDABITAIGSMLGH-SNVBAGLBSA-N 392.531 3.065 50 50 GGGA Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 3136500 NEQKCENPGFMFBC-REZTVBANSA-N 396.197 3.096 50 50 GGGA O=C(NNC(=S)NC1CC1)c1ccc(COc2ccc3ccccc3c2)o1 17077973 JRXFIDOPXAMIPR-UHFFFAOYSA-N 381.457 3.283 50 50 GGGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)ccc1OC(C)=O 5317868 POIYUNMAGXDUCX-WSDLNYQXSA-N 392.415 3.083 50 50 GGGA C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Br)cc1 4976162 RMDMDXGNYVJALY-ZVCOJXFSSA-N 375.222 3.129 50 50 GGGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(N)=O 1196931 WHPVZIJTCQKQKA-GDNBJRDFSA-N 382.379 3.038 50 50 GGGA Cc1ccc2c(c1Br)/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)C(=O)N2 100315895 MOAQMRZCMWOVNR-STQMWFEESA-N 398.260 3.334 50 50 GGGA Cc1ccsc1C(=O)NNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 170622982 MZFWFEXBIYNDEH-UHFFFAOYSA-N 396.350 3.200 50 50 GGGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1ccc(Cl)cc1Cl)C(F)(F)F 2769948 VVBCDZSYTQDMBM-KCJUWKMLSA-N 394.560 3.006 50 50 GGGA CCCCOc1ccc(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1 2805921 ZJXBFYDWKMRJDW-QZTJIDSGSA-N 388.464 3.074 50 50 GGGA COc1cc(OC)cc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)c1 4741265 OQEMGWABPIMIII-UHFFFAOYSA-N 384.219 3.477 50 50 GGGA Cc1cc(O)c(C)c(O)c1/C=N\NC(=O)[C@@H]1COc2cc3ccccc3cc2O1 55444147 CTTMKKQZLJHJGR-RCAFHROTSA-N 392.411 3.158 50 50 GGGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OC(C)C 658805 LCPWRRVPNVPLEX-SFHVURJKSA-N 382.416 3.352 50 50 GGGA COC(=O)[C@]1(C)C[C@@H](C(=O)OC(C)(C)C)[C@@H](c2ccccc2)N1C(=O)CCl 526056114 XIDNSAPSRWFZEE-KKVAFCGZSA-N 395.883 3.088 50 50 GGGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[nH]n1 868098 PWJTXYVHNKNNIB-UDWIEESQSA-N 379.376 3.148 50 50 GGGA N#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2[C@H]1c1cc2c(cc1Cl)OCO2 5130273 XWXFKJNCCFLZFQ-HNNXBMFYSA-N 393.790 3.072 50 50 GGGA Cc1[nH]nc2c1[C@H](c1cc(Cn3cnc4ccccc43)cs1)C(C#N)=C(N)O2 1432810 KRFXBQHKBLCLGR-SFHVURJKSA-N 388.456 3.396 50 50 GGGA COc1ccc([C@H]2C(C#N)=C(N)N3C(=O)c4ccccc4SC3=C2C#N)cc1 4753634 VEUCGSKEFFGZGI-SFHVURJKSA-N 386.436 3.470 50 50 GGGA COc1cc(C(=O)NNC(=O)Nc2ccc(C(C)C)cc2)cc(OC)c1OC 17079076 DECFRKABVUIPEK-UHFFFAOYSA-N 387.436 3.302 50 50 GGGA COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)O)cc2)cc1 794689913 DMZWBYXTJJDIDX-MMVRYDLHSA-N 394.427 3.331 50 50 GGGA CCOc1ccccc1[C@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CC(C)(C)C2 1080063 CKTOAKQCDLKEPV-IBGZPJMESA-N 380.492 3.298 50 50 GGGA CNC(=S)NNC(=O)c1sccc1OCc1ccc(Cl)cc1Cl 8773009 GRQGYFLPOJDQAT-UHFFFAOYSA-N 390.317 3.373 50 50 GGGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4261241 UYYPIWRLHOGMDC-SSDVNMTOSA-N 384.432 3.111 50 50 GGGA CC(C)[C@H](CCN(C)C(=O)C1CCc2ccccc2CC1)NC(=O)CCl 1875384017 JLAZWHLAODLIGJ-IBGZPJMESA-N 378.944 3.410 50 50 GGGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O 792613 AMZSOPQZZZTALL-SFHVURJKSA-N 382.416 3.071 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccco2)[C@@H]2CN(Cc3ccccc3)CC=C12 4453525 MEHPOXJVZFPQCP-TZIWHRDSSA-N 381.439 3.205 50 50 GGGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)c(Cl)nc2c1 4210582 SSERKXVPNKUZMP-LSHDLFTRSA-N 384.798 3.425 50 50 GGGA O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCl)Oc1ccccc1 2181494 ARISEFVMAFOUDW-SFHVURJKSA-N 385.851 3.223 50 50 GGGA Cc1scc(C(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1-c1ccccc1 2784816 VYLUFMRJBLUFMM-LSDHHAIUSA-N 386.473 3.376 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])nc2ccccc21 8654252 PXGISCWLNMFZEJ-YBFXNURJSA-N 383.433 3.207 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Br)c2)C2=C1CCCC2=O 5878989 GIPWHGURDCMHDZ-MRXNPFEDSA-N 387.281 3.026 50 50 GGGA COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 4989923 WAZOZWYPKHEZHL-RQZCQDPDSA-N 378.182 3.130 50 50 GGGA COc1ccc(C[C@H]2OC[C@H]3OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O2)cc1 169834234 WOKDMNFFZGRQJZ-VSZNYVQBSA-N 394.540 3.295 50 50 GGGA CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 714339 PHWAKSNEUKZFMY-AWEZNQCLSA-N 375.226 3.098 50 50 GGGA CCOC(=O)[C@H]1C(O)=NC(SCC)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 875488 TWRACQURKHMAGE-UONOGXRCSA-N 375.406 3.316 50 50 GGGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4cccc(Cl)c4)[C@@H]3[C@H]1CC2 253390193 SRXGHYFYLFKBSY-DQEVTTJGSA-N 375.863 3.226 50 50 GGGA CC[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CC[C@H]1NC(=O)CCl 1875383687 CRAJAGBEHMOHLX-QZTJIDSGSA-N 376.928 3.382 50 50 GGGA O=C(N/N=C/c1cccs1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520389 DEHRRVBIRKEXIE-FYJGNVAPSA-N 392.440 3.089 50 50 GGGA C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1cc2c(cc1Br)OCO2 100099998 QOGSGSHRKRPWFB-QGWRSLGZSA-N 379.254 3.454 50 50 GGGA COc1cccc(-n2nc(C)c([C@@H]3COCCN3C(=O)[C@@H](C)Cl)c2C)c1 1875377989 SWBKGPVPUIOEOZ-PXAZEXFGSA-N 377.872 3.025 50 50 GGGA C/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1ccc(NC(=O)C2CCC2)cc1 659815 SCUDNXUEQFTHQA-SSDVNMTOSA-N 387.871 3.275 50 50 GGGA CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)c(O)c1 3147251 UDZXDADDUOWHOB-VXLYETTFSA-N 393.237 3.083 50 50 GGGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@@H]2C1 13512695 ORJGHHRUVKINGZ-IEBWSBKVSA-N 379.414 3.099 50 50 GGGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1ccc(C(F)(F)F)cc1 4623327 DWYHDFUZCZCWEA-SNVBAGLBSA-N 379.367 3.018 50 50 GGGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc2ccccc2c1O 6180627 VJFFSDLRKROZAL-WSDLNYQXSA-N 380.400 3.335 50 50 GGGA CN(C)/C=C(\C#N)C(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 150043785 OQLIYMMRFFMCEJ-JQIJEIRASA-N 379.441 3.030 50 50 GGGA O=C(c1ccc([N+](=O)[O-])cc1)[C@H](Br)[C@H](O)C(Cl)(Cl)Cl 22017077 GMOAHZMYGDZPRU-CBAPKCEASA-N 391.432 3.272 50 50 GGGA Cc1scc(C(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1-c1ccccc1 2784817 VYLUFMRJBLUFMM-HUUCEWRRSA-N 386.473 3.376 50 50 GGGA Cc1ccccc1NCC(=O)N/N=C\c1cc2c(cc1Br)OCO2 32606258 ABVNGSGLXDLAAG-ZBKNUEDVSA-N 390.237 3.048 50 50 GGGA CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 2518496 XBFOOAXRDMDLEG-KEBDBYFISA-N 379.247 3.148 50 50 GGGA O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1COc2ccccc2O1 889212 MPQFJUKDQXNXNL-GWJWUGQSSA-N 393.355 3.145 50 50 GGGA Nc1c(Br)cc(Br)cc1C(=O)N/N=C/c1ccco1 4231474 ZVRSJHNTFYOUOM-OMCISZLKSA-N 387.031 3.151 50 50 GGGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(O)cc1O 731223 UTWALEJSOZJMQV-FSJBWODESA-N 394.358 3.220 50 50 GGGA COc1cc(OC)cc(C(=O)NNC(=S)Nc2ccc(F)c(Cl)c2)c1 2196585 HKYNPZXOKXOBKC-UHFFFAOYSA-N 383.832 3.128 50 50 GGGA Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)o1 5490433 ZHIOXIOTCIRBML-QGZVFWFLSA-N 377.360 3.413 50 50 GGGA C=CCNC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1Cl 5725815 HMCRHQYFVTUOCI-UHFFFAOYSA-N 375.881 3.214 50 50 GGGA CC(C)(C)[Si](C)(C)OCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 241465923 NSYZEFLNHWBPDZ-GOSISDBHSA-N 393.516 3.384 50 50 GGGA O=C(CCl)N(Cc1cc2ccccc2s1)C[C@H]1CC(=O)N(C2CC2)C1 1875384011 JFXOBEIWCYPNNY-CYBMUJFWSA-N 376.909 3.480 50 50 GGGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccccc2)n[nH]1 9275237 RGQOEWHCHXEZAT-VXLYETTFSA-N 385.221 3.309 50 50 GGGA Cc1ccc(NCC(=O)N/N=C\c2cccc(OC(=O)c3ccco3)c2)cc1 32606118 MXHBNFLLWLEYDE-QRVIBDJDSA-N 377.400 3.369 50 50 GGGA C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 12343125 TYKIMQVEOSKNRK-NLRVBDNBSA-N 385.467 3.475 50 50 GGGA O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1COc2ccccc2O1 1226687 WRKGUVAXLIASQU-QVQQHXNLSA-N 393.355 3.145 50 50 GGGA C=C1CC(C)(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H](NC(=O)CCl)C2)C1 1875383455 VIWHZJDBRBVLKF-SJORKVTESA-N 378.875 3.222 50 50 GGGA Cc1nn(Cc2ccccc2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 847163 IVSLQVSBRLBFIP-IBGZPJMESA-N 387.399 3.366 50 50 GGGA COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC 15012339 QRRTVGGRUVLJEK-YBEGLDIGSA-N 380.400 3.101 50 50 GGGA Cc1cc(C)c(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)c(C)c1 4209917 BJJRVRMOBFVMOP-SRZZPIQSSA-N 393.472 3.219 50 50 GGGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1472215 HUTVUFKXPDGNGO-LJQANCHMSA-N 388.427 3.454 50 50 GGGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)c1 2519987 BAAMOQLQXSYIIK-FSJBWODESA-N 377.444 3.489 50 50 GGGA COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)[C@@H](C)Cl)c2C)c1 1875377991 SWBKGPVPUIOEOZ-SJKOYZFVSA-N 377.872 3.025 50 50 GGGA COc1ccc(OC)c(NC(=O)NNC(=S)Nc2ccc(F)cc2F)c1 5041724 XHAAWBHDEKAUDA-UHFFFAOYSA-N 382.392 3.005 50 50 GGGA COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2C)cc1OC 4607899 QHXXYRHFMTVGDX-LPYMAVHISA-N 398.488 3.223 50 50 GGGA COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2530578 XEOAAOZRJRIXBW-DNTJNYDQSA-N 382.203 3.223 50 50 GGGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(F)cc1 3008863 KIXVJGPWGAYUAM-ZVHZXABRSA-N 391.402 3.494 50 50 GGGA C[C@H](NC(=O)CCl)C1CCN(C(=O)[C@]2(C)CCc3ccccc3C2)CC1 1875384285 NUDYRAZRPGGOAE-YCRPNKLZSA-N 376.928 3.164 50 50 GGGA Cn1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cn1 2789751 FVPBHFRIWJQTHL-LJQANCHMSA-N 394.438 3.491 50 50 GGGA C/C(Cn1nnc2ccccc21)=N\NC(=O)CSc1nc2ccccc2s1 5494587 AXXASCFFINFVFA-UDWIEESQSA-N 396.501 3.325 50 50 GGGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccc(N2CCOCC2)cc1 971521 GMJJYJSEHHYTQH-IBGZPJMESA-N 399.454 3.131 50 50 GGGA COc1cccc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c1 986695 XOLYQONPBQLGEO-UHFFFAOYSA-N 390.439 3.054 50 50 GGGA COc1ccc(Br)cc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2388514 LSAOHLOGHBYRRB-RQZCQDPDSA-N 378.182 3.130 50 50 GGGA Cc1ccc(NC(=O)[C@H](Br)[C@@H](Br)C(=O)O)cc1Cl 1751370 VSQDQXZWQZLULA-RKDXNWHRSA-N 399.466 3.199 50 50 GGGA O=C(CNC(=O)C1CCCCC1)NNC(=O)c1sc2ccccc2c1Cl 2870591 VOKFQMMNDPHTIK-UHFFFAOYSA-N 393.896 3.012 50 50 GGGA O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 246758339 XZPMOFPSDFZYJP-MDNUFGMLSA-N 385.467 3.441 50 50 GGGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4282105 MLZLBYHWUDXVEH-LUILSVGHSA-N 392.411 3.221 50 50 GGGA CC[C@H]1CN(C(=O)CCOc2cc(C)cc(C)c2)CC[C@H]1NC(=O)CCl 1875384560 SRVGZNSNBIMSDQ-FUHWJXTLSA-N 380.916 3.054 50 50 GGGA C=CCOc1ccccc1/C=N/NC(=O)[C@@H](O)c1ccc(Br)cc1 4956175 NTXNMPJGARBSLF-RONKMWSCSA-N 389.249 3.198 50 50 GGGA CN(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1 695304 ZCXCETMLDMOTPO-LPYMAVHISA-N 381.867 3.415 50 50 GGGA O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCCC1 12729963 YXPDFAFPZIGYMO-JMIUGGIZSA-N 380.231 3.326 50 50 GGGA CCn1cc(C(=O)NCCSSCCC(=O)O)c(-c2ccccc2)n1 1875388963 WQCPJGUHDPISSK-UHFFFAOYSA-N 379.507 3.156 50 50 GGGA COc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 3071126 XHBZMKGJKKWWRT-UHFFFAOYSA-N 384.219 3.477 50 50 GGGA O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccccc1Cl 5649759 AKQSLERTLNQTMJ-UHFFFAOYSA-N 378.613 3.189 50 50 GGGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)[nH]n2)cc1 4677666 DBXKWKQQTIDTQG-LPYMAVHISA-N 394.431 3.257 50 50 GGGA CCN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@H]2C1 239403347 RVFTYZUZLXPIGM-WDSOQIARSA-N 397.404 3.449 50 50 GGGA Cc1ccc(NC(=S)NNC(=O)COc2ccc(OC(F)(F)F)cc2)cc1 2582432 MLNRTONRLMDMRM-UHFFFAOYSA-N 399.394 3.290 50 50 GGGA CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 17081703 PGTOZWILGNNXLS-DTQAZKPQSA-N 399.472 3.059 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2cccc(F)c2)nnc1-c1ccccc1 2193730 HZLDSQRKJSEBQY-CIAFOILYSA-N 383.452 3.347 50 50 GGGA COc1ccc(NC(=S)NNC(=O)COc2ccc(Cl)cc2C)cc1 2571208 WZUKQBKACPLIKW-UHFFFAOYSA-N 379.869 3.054 50 50 GGGA COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc(C)cc1 2506441 IXOIAYCHSZLHGK-ZVHZXABRSA-N 389.411 3.382 50 50 GGGA Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(Br)ccc2O)c1 2565339 PAAWFDPFMLDWKZ-DJKKODMXSA-N 377.238 3.301 50 50 GGGA O=C(N/N=C/c1ccc(O)cc1O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 6813490 BVXBINTUOXGPHJ-SSDVNMTOSA-N 380.448 3.053 50 50 GGGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 4282148 KDMHCFVSMGLZBR-KEBDBYFISA-N 380.231 3.481 50 50 GGGA CNC(=S)NNC(=O)c1sc2cccc(Br)c2c1Cl 1121225 GNMUBNVIFWYMBA-UHFFFAOYSA-N 378.704 3.056 50 50 GGGA C/C(=N/NC(=O)c1ccn(C)n1)c1cccc(NC(=O)c2ccc(C)s2)c1 13108593 DKZXIBWHPHPGMO-BKUYFWCQSA-N 381.461 3.196 50 50 GGGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1cc2c(cc1Br)OCO2 252320765 QOGSGSHRKRPWFB-HKUVHSFMSA-N 379.254 3.454 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C1 19816222 ICBCQVWSJXHQPD-RBUKOAKNSA-N 377.879 3.475 50 50 GGGA C=CC(=O)Nc1cccc(C(=O)NN(CC(F)(F)F)C(=O)OC(C)(C)C)c1 1875380084 DQYSBASLCQIXPZ-UHFFFAOYSA-N 387.358 3.255 50 50 GGGA CN(C(=O)C[C@H]1CCc2ccccc2C1)C1CCC(NC(=O)CCl)CC1 1875384059 KXAKGHFANTVCFA-MNNVXMFVSA-N 376.928 3.306 50 50 GGGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1OC 5095405 SHMRANALZGSOGT-QGZVFWFLSA-N 389.415 3.097 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)c(F)c3)[C@H]2C1 4453559 LSZDEVFDQUOBSR-LPHOPBHVSA-N 379.414 3.100 50 50 GGGA CCC(NC(=O)NNC(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F 2869099 URYLFCSWZNNFAE-UHFFFAOYSA-N 375.244 3.043 50 50 GGGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(Br)cc2)n[nH]1 5126067 FJPRMXSWBSZFRC-VXLYETTFSA-N 385.221 3.309 50 50 GGGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2OC)cc1 2519973 DFBWVUHWIZRAAE-LPYMAVHISA-N 385.420 3.096 50 50 GGGA COC(O)=C1C=CC(=NC=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)C=C1 2082947977 ZLABCSDOIXTUQT-UHFFFAOYSA-N 376.821 3.462 50 50 GGGA COc1cccc(CN(C(=O)CCl)[C@H](C)c2ccc3c(c2)NC(=O)CO3)c1 2325893140 GSOJXKSSBXFCHS-CYBMUJFWSA-N 388.851 3.355 50 50 GGGA Cc1nn(Cc2ccccc2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 847162 IVSLQVSBRLBFIP-LJQANCHMSA-N 387.399 3.366 50 50 GGGA N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccc(N2CCOCC2)cc1 971520 GMJJYJSEHHYTQH-LJQANCHMSA-N 399.454 3.131 50 50 GGGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)cc1OC 4171006 RUHUTYUMORTFEX-KRWDZBQOSA-N 389.415 3.097 50 50 GGGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)c2ccnn2C2CCCC2)cc1 1875384903 YIDBMZGDAOCYRK-CQSZACIVSA-N 388.899 3.344 50 50 GGGA COc1ccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)[nH]n2)cc1O 13154663 XIFKSJINUJBYEX-FSJBWODESA-N 394.475 3.356 50 50 GGGA CCCCOc1ccc(OCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229206 QXUYQSRSFPPFNK-OEAKJJBVSA-N 393.443 3.236 50 50 GGGA O=C(CCl)NC[C@H](NC(=O)C[C@H]1CCCCO1)c1ccc2ccccc2c1 1875383663 BSNVITWIGAIIAK-MOPGFXCFSA-N 388.895 3.311 50 50 GGGA COc1ccccc1C(O)(C(=O)NNc1cccc(C)c1)c1ccccc1OC 1513351 VKYSIBYHEPSZTJ-UHFFFAOYSA-N 392.455 3.391 50 50 GGGA COc1ccc(/C=N/NC(=O)CSc2ccc3ccccc3n2)cc1OC 1226800 CBMQNTZAIZZSGR-CIAFOILYSA-N 381.457 3.494 50 50 GGGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3O)cc2)cc1 2519921 SKQKWVYVBXVBIL-OEAKJJBVSA-N 390.395 3.384 50 50 GGGA COc1ccc(Cl)cc1NC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1C 1119788 QXGPNVGCPHNZTD-UHFFFAOYSA-N 378.772 3.032 50 50 GGGA O=C(Cc1cccc2ccccc12)NNC(=O)c1cccc(Oc2cnccn2)c1 134401942 CHBGBHMIKHJPML-UHFFFAOYSA-N 398.422 3.426 50 50 GGGA O=C(N/N=C/c1cc(O)c(Br)cc1Br)c1ccccn1 1214701 DBXPOHAOZPUDDV-REZTVBANSA-N 399.042 3.076 50 50 GGGA I[C@H]1[C@@H]2C[C@H]3[C@H]4C[C@H]2[C@@H]([C@H]4I)[C@@H]31 257356898 KYMLEMSCKGSBAT-UGCJPYHWSA-N 386.014 3.125 50 50 GGGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F 2770036 JWFRUKKHWQOWFL-KWQFWETISA-N 394.560 3.006 50 50 GGGA C/C(=N\NC(=O)c1csc(C(C)C)c1)c1ccc(NS(C)(=O)=O)cc1 17077613 FYMIUSXFLVCYBS-LDADJPATSA-N 379.507 3.397 50 50 GGGA CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(N)=O)cc1 2531835 KEOZUANQEJGPLG-YDZHTSKRSA-N 377.400 3.460 50 50 GGGA N#CC1=C(N)OC(c2ccccc2)=C(n2cnc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 4199581 QXMHKHIIJZCVBR-MRXNPFEDSA-N 386.371 3.020 50 50 GGGA Cc1ccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c([N+](=O)[O-])c1 1228226 MSAIPSIELQVLQK-SRZZPIQSSA-N 380.404 3.232 50 50 GGGA C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1 4629036 MKVJMULEMIWYKU-IBGZPJMESA-N 385.423 3.321 50 50 GGGA CC(C)(CNC(=O)CCl)C1CCN(C(=O)C2Cc3ccccc3C2)CC1 1875384241 MWBBVEHSCNWJME-UHFFFAOYSA-N 376.928 3.021 50 50 GGGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(SC)cc3)[C@@H]2C1 4457873 GGBSXWZQGOBIFI-MOPGFXCFSA-N 375.501 3.154 50 50 GGGA CCSC1=C(C#N)[C@@H](c2cc(Br)c(O)c(OC)c2)CC(=O)N1 9320230 BICWJRSTVUZQRS-SECBINFHSA-N 383.267 3.255 50 50 GGGA CCc1cc(C(=O)NNC(=S)Nc2sc(CC)cc2C(=O)OC)cs1 6708659 ZNWOJYSQUZJFNW-UHFFFAOYSA-N 397.547 3.352 50 50 GGGA O=C(CSCc1ccc(F)cc1)NNC(=S)NCc1ccc(Cl)cc1 6829085 GQVIKDQPOVPDET-UHFFFAOYSA-N 397.928 3.408 50 50 GGGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(OC)c3)[nH]n2)cc1 4135672 QWRWHQGUPWOPFL-LPYMAVHISA-N 394.431 3.344 50 50 GGGA O=C(N/N=C\c1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4459465 YTOZJVVCQPPNFS-ZKDCOOFMSA-N 375.403 3.482 50 50 GGGA O=C(CSCc1ccccc1Cl)NNC(=S)NCCc1ccccc1 2850800 JOUMCMQRNYPTLC-UHFFFAOYSA-N 393.965 3.311 50 50 GGGA C/C(=N\NC(=O)c1cc(-c2ccc(Br)s2)n[nH]1)c1ccncc1 15990391 MIVPLOKGSUZYDW-GIJQJNRQSA-N 390.266 3.450 50 50 GGGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(O)cc2oc(=O)cc(C)c32)cc1 1226933 CLETUFNJTJXMOE-GOSISDBHSA-N 376.368 3.034 50 50 GGGA CCc1c(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@H]2C3=C(C)C)csc1C 225591065 ZRMPTEDZFYNXCJ-PYTWLRIVSA-N 390.505 3.073 50 50 GGGA CCOC(=O)/C(=N\Nc1ccc(C(F)(F)F)cc1)C(=O)CBr 252536266 IAJARZXSZVAFSI-ODLFYWEKSA-N 381.148 3.000 50 50 GGGA COc1cc(OC)c(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)cc1Br 100309965 LXGXWPPMOWJVDZ-UTQOMYTNSA-N 381.270 3.353 50 50 GGGA I[C@H]1[C@@H]2C[C@@H]3[C@@H]4C[C@H]2[C@H]([C@@H]4I)[C@H]13 257346991 KYMLEMSCKGSBAT-CDHJRTEISA-N 386.014 3.125 50 50 GGGA CC[C@@H]1CN(C(=O)CCOc2cc(C)cc(C)c2)CC[C@@H]1NC(=O)CCl 1875384559 SRVGZNSNBIMSDQ-AEFFLSMTSA-N 380.916 3.054 50 50 GGGA COc1ccc2ccccc2c1[C@@H]1[C@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 4631466 FKAMGRVUADMLIM-UGKGYDQZSA-N 395.466 3.204 50 50 GGGA O=[N+]([O-])c1ccc([C@H](O)[C@@H](Br)[C@H](O)C(Cl)(Cl)Cl)cc1 4949054 PQFZNXSPQIVSDU-VGMNWLOBSA-N 393.448 3.123 50 50 GGGA CCSC1=C(C#N)[C@H](c2cc(Br)c(O)c(OC)c2)CC(=O)N1 9320228 BICWJRSTVUZQRS-VIFPVBQESA-N 383.267 3.255 50 50 GGGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)[nH]n2)c1 1468480 TXNVQMYADKAFRF-LPYMAVHISA-N 394.431 3.257 50 50 GGGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1ccccc1 4372887 USCLZAGCXOHFLU-OEAKJJBVSA-N 390.395 3.384 50 50 GGGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OC(C)C 658803 LCPWRRVPNVPLEX-GOSISDBHSA-N 382.416 3.352 50 50 GGGA Cc1ncsc1C(=O)NNC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 170621615 SVOLNJNDPJCLPJ-UHFFFAOYSA-N 387.490 3.025 50 50 GGGA O=C(NNC(=S)NCc1ccc(Cl)cc1)c1ccc(Br)o1 2855561 LVWAWTKAIJTWBK-UHFFFAOYSA-N 388.674 3.005 50 50 GGGA CCCc1cc(C(=O)NNC(=S)Nc2sc(C)cc2C(=O)OC)cs1 6636474 DPWOLQSGNHNLNN-UHFFFAOYSA-N 397.547 3.489 50 50 GGGA O=C1O[C@@H](N(CCBr)[C@@H]2OC(=O)c3ccccc32)c2ccccc21 71767126 VZIBCTPQLZCVLU-HZPDHXFCSA-N 388.217 3.422 50 50 GGGA O=C(NNC(=O)C1CCN(Cc2cccc(F)c2)CC1)c1cccc(Cl)c1 5757017 OCRVTCDQNWEIIW-UHFFFAOYSA-N 389.858 3.152 50 50 GGGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccnc3)c2)cc1 4360126 HKFPJGYXULGRQB-YDZHTSKRSA-N 375.384 3.073 50 50 GGGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@H]1c1ccccc1)S(=O)(=O)CC2 1429878 XZDWWDNGFWWHNE-SFHVURJKSA-N 381.432 3.153 50 50 GGGA Cc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C)cc1 225485956 JAOBMMPAGHKYCE-AWEZNQCLSA-N 379.457 3.117 50 50 GGGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)[C@H](c2ccc(F)cc2)C2CC2)CC1 1875383761 DNMXODRCERQTRQ-YJYMSZOUSA-N 380.891 3.301 50 50 GGGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC)cc1OC 1426864 RVTOKJGETKLORR-HNNXBMFYSA-N 386.429 3.079 50 50 GGGA COc1cc(/C=N/NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)ccc1O 685856 IFPNHKJSJXKISV-ZVBGSRNCSA-N 384.823 3.063 50 50 GGGA Cc1ccc(OCC(=O)NNC(=S)Nc2ccc(Br)cc2)cc1 6546520 HOTQVMDIMNTHKZ-UHFFFAOYSA-N 394.294 3.154 50 50 GGGA C[C@@H]1CCc2c(C(=O)N/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)csc2C1 2738213 RZCXTUPZFACIOC-WDPYWSEUSA-N 387.417 3.274 50 50 GGGA Cc1ccc(CNC(=S)NNC(=O)CSCc2ccc(F)cc2)cc1 6788223 KTMHSTQGDNJNQV-UHFFFAOYSA-N 377.510 3.063 50 50 GGGA O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc2n[nH]cc2c1 746578468 ALSFQLAODYVTMH-UHFFFAOYSA-N 397.394 3.446 50 50 GGGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1c(O)ccc2ccccc12 4258996 SFOYYZQGPQMVEY-FOKLQQMPSA-N 381.819 3.079 50 50 GGGA COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1O 4372665 IRMHKGZILIRKIO-VURRPDKYSA-N 393.237 3.081 50 50 GGGA CCNC(=S)NNC(=O)c1cc(-c2ccccc2OCC)nc2ccccc12 2788659 FPXFAYTWYKPIMJ-UHFFFAOYSA-N 394.500 3.429 50 50 GGGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1 4282885 WCHSTLUXMSKTDM-YDZHTSKRSA-N 387.867 3.399 50 50 GGGA C/C(=N\NC(=O)CCC(=O)N/N=C(\C)c1ccc(F)cc1)c1ccc(F)cc1 4975879 OMMVSCCKGHAEAR-RNIAWFEPSA-N 386.402 3.126 50 50 GGGA Cc1cc2ccccc2nc1NNC(=O)CCCc1nc2ccccc2c(=O)[nH]1 181291339 DVRAVVQDAUCKMQ-UHFFFAOYSA-N 387.443 3.246 50 50 GGGA CC(=O)[C@H](C(=O)Nc1ccc(C)cc1)[C@H]1C(=O)c2ccccc2C(=O)[C@@H]1Cl 100742367 FGKNCAPISWXPGB-RCCFBDPRSA-N 383.831 3.442 50 50 GGGA COc1ccc2ccccc2c1[C@@H]1[C@@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 803659 FKAMGRVUADMLIM-KNQAVFIVSA-N 395.466 3.204 50 50 GGGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2cccs2)n[nH]1 9273553 WUSWBTIZDGDGEN-CAOOACKPSA-N 391.250 3.370 50 50 GGGA O=C(CCl)NC[C@@H](NC(=O)C[C@@H]1CCCCO1)c1ccc2ccccc2c1 1875383665 BSNVITWIGAIIAK-RBUKOAKNSA-N 388.895 3.311 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@H](c2cccnc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1010327 SQPJDZDZNBZELZ-UTKZUKDTSA-N 385.471 3.052 50 50 GGGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OCC)cc2)cc1 4347373 IEZMVAGGCMRDHJ-BUVRLJJBSA-N 397.475 3.144 50 50 GGGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3cccs3)C3=C2CCS3(=O)=O)cc1 4623349 OWAGGDAKMCHDOP-KRWDZBQOSA-N 399.497 3.084 50 50 GGGA Cc1ccc2c(c1)c1c3n2CCN(CC(=O)NN=Cc2ccco2)[C@@H]3CCC1 252441221 KTMFHSFGNAIASB-HXUWFJFHSA-N 376.460 3.386 50 50 GGGA O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 130028252 XZPMOFPSDFZYJP-ACIOBRDBSA-N 385.467 3.441 50 50 GGGA O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccc(Br)cc1 2571773 LDATXKVVUREFFQ-GIJQJNRQSA-N 380.629 3.191 50 50 GGGA O=C(c1ccc([N+](=O)[O-])cc1)C(Br)C(=O)c1ccc([N+](=O)[O-])cc1 104132880 USGUSKRIGNSSFP-UHFFFAOYSA-N 393.149 3.332 50 50 GGGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 632570 SOASAGFZRJHWKS-FQEVSTJZSA-N 388.427 3.416 50 50 GGGA CNC(=S)NNC(=O)c1sccc1OCc1cccc(C(F)(F)F)c1 8773012 FGFQTLDILPRZDZ-UHFFFAOYSA-N 389.424 3.085 50 50 GGGA aggregator COC(=O)[C@H](Br)P(=O)(OCC(F)(F)F)OCC(F)(F)F 36424797 MMHNTPNKYFALAL-SCSAIBSYSA-N 397.002 3.231 50 50 GGGA CCN(CC)c1ccc(C(=O)NNC(=S)Nc2cccc(C(C)=O)c2)cc1 1117719 RROGKMZTRAGWKE-UHFFFAOYSA-N 384.505 3.367 50 50 GGGA CN(C)NC(=O)c1cccc2c1-c1ccc(I)cc1C2 5047716 YVJWYBCVUGELRJ-UHFFFAOYSA-N 378.213 3.069 50 50 GGGA COc1cc(C2(C(=O)NCCSSCCC(=O)O)CC2)ccc1Cl 1875388620 IRCCTXSLMGAJNL-UHFFFAOYSA-N 389.926 3.353 50 50 GGGA C/C(=N/NC(=O)c1cccc(Cl)c1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 25781583 RHOWXSVRAIQTIB-JAIQZWGSSA-N 398.810 3.291 50 50 GGGA C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC 2163693 CWYAAOQLAKBZHC-KRWDZBQOSA-N 384.819 3.175 50 50 GGGA CC1(C)Cc2cccc(OCC(=O)NNC(=O)Nc3ccc(Cl)cc3)c2O1 2385472 WTLVIHNADIKDHS-UHFFFAOYSA-N 389.839 3.285 50 50 GGGA COc1cccc(CN(C(=O)CCl)[C@@H](C)c2ccc3c(c2)NC(=O)CO3)c1 2325893141 GSOJXKSSBXFCHS-ZDUSSCGKSA-N 388.851 3.355 50 50 GGGA O=C(N/N=C/C=C/c1ccc([N+](=O)[O-])cc1)c1cncc(Br)c1 2839935 DJIHEWPDLRCBJY-RFFZPADBSA-N 375.182 3.181 50 50 GGGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3OC)n[nH]2)cc1 5402644 FWIHLKWGWKMQAQ-LPYMAVHISA-N 378.432 3.420 50 50 GGGA CN(C)C(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799754868 UNTOZZFCOOSZGI-UHFFFAOYSA-N 376.338 3.036 50 50 GGGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cc(Cl)ccc1O 4282383 XWDMKSDZDMLAJK-FOKLQQMPSA-N 381.819 3.079 50 50 GGGA O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1229864 DSMFELFIHWKSBM-UHFFFAOYSA-N 375.384 3.188 50 50 GGGA O=C(CCCCC(=O)N/N=C/Cc1ccccc1)N/N=C/Cc1ccccc1 4795550 RUCFRNNISRDRNN-GJHDBBOXSA-N 378.476 3.236 50 50 GGGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1ccccc1)S(=O)(=O)CC2 1429879 XZDWWDNGFWWHNE-GOSISDBHSA-N 381.432 3.153 50 50 GGGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1Cl 4302510 LIMQGCOSKITTLV-KEBDBYFISA-N 380.231 3.481 50 50 GGGA CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1nnc(-c2ccccc2)s1 5612586 PAVPLQOFCQUYBE-ALNMFTKOSA-N 391.456 3.349 50 50 GGGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 2994602 ZFAOYYYAQQDPJK-QZTJIDSGSA-N 394.383 3.494 50 50 GGGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1ccc(Br)cc1 710716 QJKIEFLJVCUJJA-SECBINFHSA-N 385.143 3.409 50 50 GGGA I[C@@H]1[C@@H]2[C@H]3C[C@@H]1[C@H]1C[C@@H]3[C@@H](I)[C@H]21 257346992 KYMLEMSCKGSBAT-DIFVBRHUSA-N 386.014 3.125 50 50 GGGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc(OC)cc1OC 1426865 RVTOKJGETKLORR-OAHLLOKOSA-N 386.429 3.079 50 50 GGGA CCNC(=S)NNC(=O)c1cc(-c2ccccc2OC)nc2ccccc12 2771948 PRTQMJVMZUEDMO-UHFFFAOYSA-N 380.473 3.039 50 50 GGGA O=C1C[C@H]2[C@H](CBr)[C@@H](C[C@@H]1Br)[C@@H]2CBr 257358954 XMOBERPAHOKXGA-ULHDWMFZSA-N 388.925 3.381 50 50 GGGA O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(C(=O)N/N=C/[C@H]2C[C@H]3C=C[C@H]2C3)o1 245227300 AFAUUXNDJLKADH-XJFGRJCKSA-N 392.459 3.135 50 50 GGGA COc1ccc(P(=O)(ONC(=O)OC(C)(C)C)c2ccc(OC)cc2)cc1 100020637 BNMBQDIFMJFRAF-UHFFFAOYSA-N 393.376 3.389 50 50 GGGA in-vitro O=C(O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1 5010091 GEHQMTKZIAZZGV-AWQFTUOYSA-N 392.864 3.187 50 50 GGGA COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 1227895 RCARJONINGCNTA-OAHLLOKOSA-N 375.222 3.272 50 50 GGGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)s3)c2[C@@]12C(=O)Nc1ccccc12 718717 PQLYUKYYRDBGEI-SFHVURJKSA-N 395.831 3.116 50 50 GGGA CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccccc1 731303 LZBLANOFAYNPNE-ZVHZXABRSA-N 389.411 3.463 50 50 GGGA COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)cc1 854007 GHGDDBFFDNHOAO-QFTJCQGQSA-N 379.460 3.305 50 50 GGGA COc1c(Br)cc(/C=C(\C#N)C(=O)O)c(OC)c1Br 5929319 QCBSTMQNOKZXEU-XVNBXDOJSA-N 391.015 3.220 50 50 GGGA COc1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1[N+](=O)[O-] 4480671 QPDQFWJYVDORSD-NTEUORMPSA-N 386.371 3.307 50 50 GGGA O=C(NNC(=O)c1ccc(OC2CCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 1117470 GBHZHUGWZMVJNO-UHFFFAOYSA-N 384.392 3.383 50 50 GGGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](Cc1ccccc1)C(C#N)=C(N)O2 1472194 HAGGCUKPKMOILB-GOSISDBHSA-N 384.439 3.013 50 50 GGGA O=C(Cc1ccc(Cl)c(Cl)c1)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 5041511 NEYMKRBCBLREOK-UHFFFAOYSA-N 399.259 3.462 50 50 GGGA C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1cccc([N+](=O)[O-])c1 13617741 MBTBLTKYYUINIG-UDWIEESQSA-N 383.433 3.114 50 50 GGGA O=C(NC(=S)NNC(=O)c1ccccc1O)c1ccc(-c2ccccc2)cc1 3184862 CLNCCOHIHSEBKH-UHFFFAOYSA-N 391.452 3.009 50 50 GGGA Cc1cc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)ccc1Cl 5612834 OHAMXMPYLJUOIB-SSDVNMTOSA-N 398.850 3.377 50 50 GGGA CC1=NN(c2ccccc2)C(=O)/C1=C\N(NC(=O)c1ccccc1O)C(C)C 16675988 CJMALBLBAUCSCB-AQTBWJFISA-N 378.432 3.054 50 50 GGGA Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 1209813 DTRKWYVNPMDCPY-LJQANCHMSA-N 387.399 3.366 50 50 GGGA CCN(CC)S(=O)(=O)c1cc(C(=O)NN(C)c2ccccc2)ccc1Cl 5591603 PBBZDEHDRLEMKP-UHFFFAOYSA-N 395.912 3.152 50 50 GGGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)c2C)cc1 17161493 KHPSAMPUSLKSNX-CIAFOILYSA-N 393.403 3.456 50 50 GGGA O=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1csc2c1CCCC2 1875383519 XDIVHNUTAQDXSX-VQIMIIECSA-N 388.920 3.378 50 50 GGGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C(=O)Nc2ccccc21 6762996 QUTDSKHXSJAHNX-VIFPVBQESA-N 378.215 3.233 50 50 GGGA N#Cc1ccc(NNC(=O)c2ccc(N3CCOCC3)cc2)c(C(F)(F)F)c1 799753236 TXCXTPKKGGPIEA-UHFFFAOYSA-N 390.365 3.171 50 50 GGGA O=C(CCl)NC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCCCCC1 1875383369 QZTCAJLGTRJUGJ-DLBZAZTESA-N 380.891 3.493 50 50 GGGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1 5295981 LOJZBAIGZKXSFE-LPYMAVHISA-N 394.431 3.257 50 50 GGGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 2571774 KNFHYASPOBJONL-GIJQJNRQSA-N 380.629 3.191 50 50 GGGA CC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(C)cc1 4258666 RXLAVQUXLHZEHE-VXLYETTFSA-N 375.222 3.447 50 50 GGGA CCc1c(C(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2OC)csc1C 4999089 KAWJWZUBJVCYDK-UHFFFAOYSA-N 394.478 3.167 50 50 GGGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Br)s2)n[nH]1 5446514 SHOLEXRLDYXJSW-CAOOACKPSA-N 376.239 3.060 50 50 GGGA O=C1Nc2ccccc2/C1=N\NC(=O)c1ccccc1NC(=O)c1ccccc1 5649912 PYXWRBUVCUJZQJ-UHFFFAOYSA-N 384.395 3.025 50 50 GGGA CCCNC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCC)c(OC)c2)cc1 3086082 SRRIZBVTZORECL-OEAKJJBVSA-N 398.463 3.389 50 50 GGGA CCc1ccc(-c2n[nH]cc2/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 1002137 OWVUIFDYGOOCRF-CIAFOILYSA-N 377.404 3.240 50 50 GGGA FC(F)(F)C1(C(F)(F)F)N[C@@H]2[C@@H](Br)[C@@H]1C[C@H]2Br 252430784 JWJVSPNLWDYONI-QTBDOELSSA-N 390.947 3.369 50 50 GGGA CCOC(=O)COc1cc(Br)c(C=C(C#N)C#N)cc1OCC 695805 YUCBBTLFRHUAND-UHFFFAOYSA-N 379.210 3.220 50 50 GGGA CS(=O)(=O)Nc1cc(C(=O)CBr)ccc1OCc1ccccc1 38358999 MSZJJGHZRBKVHQ-UHFFFAOYSA-N 398.278 3.215 50 50 GGGA COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OC)c(OC)c1 1107906 HFOONKHQMSUELL-VXLYETTFSA-N 393.237 3.239 50 50 GGGA COc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 653322 ZAVBLXWOLJZHNX-JKSUJKDBSA-N 375.881 3.470 50 50 GGGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1cccc(I)c1 1051141 AMECHKAAVNHNBQ-HNNXBMFYSA-N 389.196 3.092 50 50 GGGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 4180962 YGRJZGJYJUZCJL-LJQANCHMSA-N 387.399 3.295 50 50 GGGA Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NNC(=O)NC1CCCCC1 2781858 JZNNPWXWTDCBBW-VIFPVBQESA-N 395.813 3.088 50 50 GGGA COc1cc(/C=N/NC(=O)CCC(=O)Nc2cccc3ccccc23)ccc1O 5661146 JHDGSLKDSNJAJW-OEAKJJBVSA-N 391.427 3.423 50 50 GGGA CC(C)c1ccc(NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 15885691 ZDASVGRQEDVTPY-UHFFFAOYSA-N 388.449 3.115 50 50 GGGA CC1(C)C[C@H](NC(=O)C(Cl)Cl)C[C@](C)(CNC(=O)C(Cl)Cl)C1 8398649 QDZKVAGCIPOBRA-RTHLEPHNSA-N 392.154 3.411 50 50 GGGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 4230258 JPYAYADFZQWRPQ-KEBDBYFISA-N 380.231 3.481 50 50 GGGA CCCc1ccc(S(=O)(=O)NNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5041263 DMPKYAKRGPUEAP-UHFFFAOYSA-N 391.537 3.100 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C2=C1CCCC2=O 691088 RUVHLRVWQGZIPW-MRXNPFEDSA-N 376.382 3.282 50 50 GGGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1 989899 FOQLSSNFIIBNNX-IBGZPJMESA-N 386.411 3.186 50 50 GGGA Cc1ccc(NC(=S)N[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)cc1 3121629 GVSHIUUTVRDBLL-SNVBAGLBSA-N 389.135 3.333 50 50 GGGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(C)o3)cc2)cc1 4231846 RSDGDOLRSKYQDG-FYJGNVAPSA-N 397.456 3.461 50 50 GGGA Cc1cccc(OCC(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)c1 16190160 RHZDVVBIQAYCLY-UHFFFAOYSA-N 383.395 3.410 50 50 GGGA CCN(CC)c1ccc(/C=N\NC(=O)c2cncc(Br)c2)cc1 32666340 AJAQRMAVJIIIFM-JMIUGGIZSA-N 375.270 3.454 50 50 GGGA O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1cccs1 1215402 YRPXBRUKLDUBQM-KOMLCTQHSA-N 380.425 3.151 50 50 GGGA O=[n+]1c2c(n(O)c3ccccc31)[C@H](Br)CC[C@H]2Br 196415531 IMNHCNSQYQTMLX-HTQZYQBOSA-N 375.040 3.459 50 50 GGGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc2ccccc2nc1Cl 1228096 QYCNZIAWLRGLPC-KEBDBYFISA-N 384.779 3.326 50 50 GGGA COc1ccc(NC(=S)NNC(=O)COc2cccc3ccccc23)cc1 2571210 HQDKWEWLIUDCER-UHFFFAOYSA-N 381.457 3.245 50 50 GGGA COc1ccc(C(C)=NNC(=O)CSc2cc(C)nc(SC)n2)cc1 254396418 OFNBEVVFCPJVQC-UHFFFAOYSA-N 376.507 3.148 50 50 GGGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)[nH]n1 868094 HSMPNHYKJLNJSI-HYARGMPZSA-N 377.448 3.305 50 50 GGGA COc1ccc(O)c(/C=N/NC(=O)C(Oc2ccccc2)Oc2ccccc2)c1 1213973 YCYTZXMONRCMPI-HZHRSRAPSA-N 392.411 3.335 50 50 GGGA C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1cccc([N+](=O)[O-])c1 945962 MBTBLTKYYUINIG-NDENLUEZSA-N 383.433 3.114 50 50 GGGA COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cccc(OC)c1OC 4751305 FRJJMXAKQCWCOF-GOSISDBHSA-N 380.400 3.458 50 50 GGGA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NNC(=O)CCC1CCCCC1)[C@H]2C(=O)O 239338829 LHKHEXGCGNWVRO-LTDCPUDJSA-N 376.497 3.188 50 50 GGGA CN1/C(=C(/C#N)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])Nc2ccccc21 104203438 LCBDLWMBSOVFGE-YBEGLDIGSA-N 382.292 3.165 50 50 GGGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cc2ccc(C)cc2nc1Cl 2391552 QSIDIARFJSSRBY-SSDVNMTOSA-N 396.834 3.294 50 50 GGGA CC1(C)CCc2cc(CN(C[C@]3(C)CCC(=O)N3)C(=O)CCl)ccc2O1 1875383824 FOWBZRRBQZVMBG-FQEVSTJZSA-N 378.900 3.026 50 50 GGGA N#Cc1c(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)sc2c1CCCC2 4210258 XHNBEIDAXZUYBN-OGMQXUJQSA-N 378.457 3.252 50 50 GGGA O=[P@@H](Oc1ncc(F)c(N2CCCCC2)n1)N(CCCl)CCCl 4831731 XWTLHAXDDMYUFA-UHFFFAOYSA-N 385.207 3.154 50 50 GGGA O=C(N/N=C\c1cccc(Br)c1)c1cncc(Br)c1 32666334 DFDUEXFWUGQIEC-FMQZQXMHSA-N 383.043 3.371 50 50 GGGA Cc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2[nH]nc(C)c21 5135305 GZHAVJUNKFVXSR-SAHAZLINSA-N 389.459 3.031 50 50 GGGA COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1O 15219987 QWSFFZXLINNFPF-WDZFZDKYSA-N 389.205 3.415 50 50 GGGA Cc1ccc(N2C(=O)[C@H]3[C@@H](SC(N)=C(C#N)[C@@H]3c3ccco3)C2=O)cc1Cl 239296746 DEGSFFNJGRWOOP-BZUAXINKSA-N 399.859 3.324 50 50 GGGA O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccc2c(c1)OCO2 1208530 IPJSMYGHQZYTFO-DNTJNYDQSA-N 386.205 3.423 50 50 GGGA N#CSc1ccc(NC(=O)CCSc2nnnn2-c2ccccc2)cc1 16623460 JTQPFXOMZDXISM-UHFFFAOYSA-N 382.474 3.356 50 50 GGGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 2892204 YVVNXVFMSWEPIC-KEBDBYFISA-N 380.231 3.481 50 50 GGGA CCCCOc1ccc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)cc1 2805920 ZJXBFYDWKMRJDW-ZWKOTPCHSA-N 388.464 3.074 50 50 GGGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 35183024 SCZCVVZJNYLHEX-LNOXHEFASA-N 379.372 3.371 50 50 GGGA O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccc(Cl)cc1 3152694 GYYLXHMTDUBAIG-GIJQJNRQSA-N 380.629 3.191 50 50 GGGA Cc1cccc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)c1C 5602949 YPERJMIFUWMQSZ-WSDLNYQXSA-N 378.432 3.032 50 50 GGGA COc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(Br)cc1 4366443 YPQPCTHPNHDWKC-MKFNJMOCSA-N 377.238 3.375 50 50 GGGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cccc(OC)c1OC 1426850 ZTWWINIXDYZVOA-CQSZACIVSA-N 386.429 3.079 50 50 GGGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 2995482 AADNCSSTCXBZDF-QZTJIDSGSA-N 394.383 3.494 50 50 GGGA Cc1ccc(O[C@H](C)C(=O)N2CCC(C(C)(C)CNC(=O)CCl)CC2)cc1 1875384244 MXBUEXGZUJBMEV-MRXNPFEDSA-N 394.943 3.382 50 50 GGGA Cc1ccc(CCCC(=O)N2CCC(C3(NC(=O)CCl)CC3)CC2)cc1 1875384778 XCLAVUADNQDCIR-UHFFFAOYSA-N 376.928 3.444 50 50 GGGA C[C@@H](NC(=O)CCl)[C@H]1CCCN(C(=O)c2ccccc2OC2CCC2)C1 1875384476 QINLUXPDXMEGPH-CABCVRRESA-N 378.900 3.214 50 50 GGGA COc1ccc(Cl)cc1NC(=S)NNC(=O)[C@]1(C)CC1(Cl)Cl 13496756 DVJUIESPHLXJBC-LBPRGKRZSA-N 382.700 3.250 50 50 GGGA Cc1[nH]nc2c1[C@@H](c1cc(Cn3cnc4ccccc43)cs1)C(C#N)=C(N)O2 1432811 KRFXBQHKBLCLGR-GOSISDBHSA-N 388.456 3.396 50 50 GGGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(CN2CCOCC2)cc1 22064697 SPJWTQCZUCVRFK-ZMOGYAJESA-N 391.393 3.302 50 50 GGGA C/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)C(C)C)c1 4646359 OZYUTEXXTDAIRC-SRZZPIQSSA-N 375.860 3.130 50 50 GGGA N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)C[C@@H]1c1ccccc1F 1143296 XEHNEMMPEFGSAQ-OAHLLOKOSA-N 387.480 3.346 50 50 GGGA O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4ccccc4N1[C@H]25)C/C3=C\CBr 104103112 PYCYURJYTDMNSJ-JOBUOBKVSA-N 397.316 3.399 50 50 GGGA O=C(NNC(=O)[C@H]1Cc2ccccc2O1)N[C@@H]1C[C@H]1c1cccc2ccccc12 797577068 QKKXLLROLCZQBC-QKNQBKEWSA-N 387.439 3.030 50 50 GGGA COC(=O)c1ccc(Cl)cc1NC=C(C#N)S(=O)(=O)c1ccccc1 2049465216 CLPCNCXRQXJPEC-UHFFFAOYSA-N 376.821 3.377 50 50 GGGA CC(=O)N/N=C/c1ccc(OCCOc2ccc(Br)cc2)cc1 2970235 GRBYISACYBBJBM-XDHOZWIPSA-N 377.238 3.377 50 50 GGGA COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1ccc(C)cc1 2506393 ZPGAVFPDXFEGTB-ZMOGYAJESA-N 389.411 3.382 50 50 GGGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1214865 ULUUONRBKYKNEE-VDCVXVNISA-N 392.209 3.275 50 50 GGGA Cn1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(C(F)(F)F)c1 169805154 GKBBHCLITIWLAM-UHFFFAOYSA-N 376.791 3.329 50 50 GGGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccc(O)c(OC)c3)[nH]n2)c1 9088943 PEBDQNRWKQAOHD-LPYMAVHISA-N 394.431 3.344 50 50 GGGA COc1ccc(C)cc1NC(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 2855782 YZYJLEUUDYMAHX-LLVKDONJSA-N 395.818 3.416 50 50 GGGA O=C(NCCc1ccccn1)N/N=C1/CCOc2c1ccc(Cl)c2Cl 222150114 NUYXRNQYNKAUHJ-HMAPJEAMSA-N 379.247 3.417 50 50 GGGA Cc1cc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)c2ccccc2n1 772631950 UAKRETAXWWFKNM-IOMROCGXSA-N 386.455 3.216 50 50 GGGA COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2859373 PWCKQSFEBHKMBQ-UHFFFAOYSA-N 389.411 3.022 50 50 GGGA COc1cccc(NC(=S)NNC(=O)CSCc2ccccc2C)c1 6401648 JALTXGUGMURLBP-UHFFFAOYSA-N 375.519 3.255 50 50 GGGA N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)Nc1ccccc1 13130456 PQVVKRMQPSEQIH-QINSGFPZSA-N 393.424 3.140 50 50 GGGA aggregator C[C@H](c1ccc2c(c1)NC(=O)CO2)N(Cc1ccc(C#N)cc1)C(=O)CCl 2325893144 IPNYYZBCGZFQCT-CYBMUJFWSA-N 383.835 3.218 50 50 GGGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)ccc1OCC#N 2799106 LUWALZJXYNPMKP-INIZCTEOSA-N 388.221 3.022 50 50 GGGA COc1ccc(OC)c(NC(=O)NNC(=O)c2cc3c(s2)CCCC3)c1 17076792 BBBIFYXIUYRPHF-UHFFFAOYSA-N 375.450 3.111 50 50 GGGA O=C(Oc1cccc(/C=N/NC(=O)c2cnccn2)c1)c1ccc(Cl)cc1 2529735 TUEPPVHLSLYNLF-FOKLQQMPSA-N 380.791 3.113 50 50 GGGA Cc1cc(C(=O)NNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c2ccccc2n1 772631948 UAKRETAXWWFKNM-DZFGPLHGSA-N 386.455 3.216 50 50 GGGA CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(SCC(N)=O)N1 755184 RHBJVFYWXNXPEB-UHFFFAOYSA-N 396.516 3.406 50 50 GGGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C3/C(=O)Nc4ccccc43)[nH]n2)cc1 2364323 FNKALVIPMOQXGE-UHFFFAOYSA-N 387.443 3.361 50 50 GGGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/C=C/c2ccccc2)cc1 4230214 GVFLGOPYLMDFGG-XPIRNMDISA-N 379.460 3.411 50 50 GGGA COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 1227894 RCARJONINGCNTA-HNNXBMFYSA-N 375.222 3.272 50 50 GGGA C[C@H](CC(=O)N1CC(CNC(=O)CCl)C1)c1ccc(C(F)(F)F)cc1 1875384262 NFPDUXBFRHGGCV-LLVKDONJSA-N 376.806 3.012 50 50 GGGA CCOC(=O)c1ccc(NC(=S)NNC(=O)c2csc(C)c2CC)cc1 1119330 UFYWRACDXNTWAM-UHFFFAOYSA-N 391.518 3.427 50 50 GGGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccco3)cc2)cc1 4231869 WYTJJPMCWMQCLO-DEDYPNTBSA-N 383.429 3.153 50 50 GGGA Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239203462 SKLGBYSSACJLKX-ZZWKFIDSSA-N 384.657 3.158 50 50 GGGA O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccncc1 1088915 FGPBIVINUBCOLK-REZTVBANSA-N 399.042 3.076 50 50 GGGA COc1cccc(/C=N/NC(=O)c2ccccc2I)c1 4372803 COSHONNGMLUXGA-LICLKQGHSA-N 380.185 3.064 50 50 GGGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3OCC)n[nH]2)ccc1O 8462762 BQRBRQVRSRHJPE-LPYMAVHISA-N 394.431 3.344 50 50 GGGA Cc1cc(C(=O)NCCSSCCC(=O)O)nn1-c1ccccc1Cl 1875389032 ZAOQMPFYCIDLKO-UHFFFAOYSA-N 399.925 3.420 50 50 GGGA O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(Br)s2)n[nH]1 868058 DREMFXIYUWJROJ-CAOOACKPSA-N 391.250 3.370 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccco2)[C@H]2CN(Cc3ccccc3)CC=C12 13479761 MEHPOXJVZFPQCP-FPOVZHCZSA-N 381.439 3.205 50 50 GGGA COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 1472161 DJYQPBSAIDBFDT-NRFANRHFSA-N 399.450 3.432 50 50 GGGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c1 2572288 GYBFGPWCLWWMOS-SSDVNMTOSA-N 384.432 3.111 50 50 GGGA O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](Br)[C@H](O)C(Cl)(Cl)Cl 22017082 GMOAHZMYGDZPRU-APPZFPTMSA-N 391.432 3.272 50 50 GGGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1 629536 SNBJMLWYRLXRRS-KRWDZBQOSA-N 376.368 3.028 50 50 GGGA COc1ccc(C(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1OC 1198939 YNSWNHQPVKCYOC-UHFFFAOYSA-N 390.439 3.297 50 50 GGGA O=C(CCl)NCc1ccc(CNC(=O)C2([C@@H]3CCCCO3)CCC2)c(F)c1 1875384508 RISLFOMKUSSBFZ-KRWDZBQOSA-N 396.890 3.036 50 50 GGGA C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)C(F)(F)F)cc1 1217738 MMXTUNDWFSQOHA-RMORIDSASA-N 393.321 3.070 50 50 GGGA COc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 2388507 YYVIVCRTROEIMW-VXLYETTFSA-N 393.237 3.239 50 50 GGGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1 5261360 PFBABLIODRJEQK-HYARGMPZSA-N 377.448 3.392 50 50 GGGA CC(C)[C@@H](CCN(C)C(=O)C1CCc2ccccc2CC1)NC(=O)CCl 1875384018 JLAZWHLAODLIGJ-LJQANCHMSA-N 378.944 3.410 50 50 GGGA Cc1ccc2snc(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCl)c2c1 1875383199 KRAATCCMNODFJV-CRAIPNDOSA-N 399.903 3.356 50 50 GGGA CC[C@H]1CN(C(=O)CCOc2cc(C)cc(C)c2)CC[C@@H]1NC(=O)CCl 1875384562 SRVGZNSNBIMSDQ-WMZOPIPTSA-N 380.916 3.054 50 50 GGGA Cc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 1191860 XFNPEPLSZAUCIB-HZHRSRAPSA-N 379.460 3.150 50 50 GGGA Cc1scc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1-c1ccccc1 138897679 GAEZUJFCWZUVDB-LBTBCDHLSA-N 398.484 3.231 50 50 GGGA COc1ccc(C(=O)N(C)C2CCC(NC(=O)CCl)CC2)cc1C1CC1 1875384438 PEPSCSIODJXQJP-UHFFFAOYSA-N 378.900 3.311 50 50 GGGA COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1[N+](=O)[O-] 1234699 IAMNWHWYODBESI-AWQFTUOYSA-N 391.811 3.403 50 50 GGGA C[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(CN2CCN3C(=O)NC[C@@H]3C2)s1 253424988 NGYDNLVMNSMZPE-ZIAGYGMSSA-N 396.633 3.435 50 50 GGGA O[C@H](CCl)COc1ccc(Cc2ccc(OC[C@@H](O)CCl)cc2)cc1 4521250 VQXSOBIULOLCHO-CALCHBBNSA-N 385.287 3.234 50 50 GGGA in-vitro Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)cc1Cl 3072791 RADAXEXIJLMUFV-DJKKODMXSA-N 394.656 3.500 50 50 GGGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C(=O)OC)cc2)[nH]n1 9271421 KUUDIMJOABGGDT-LPYMAVHISA-N 392.415 3.026 50 50 GGGA C=CCn1c(=O)c(C(=O)N/N=C/c2cccc(Cl)c2)c(O)c2ccccc21 100730818 XEDXPRKWFMBLJR-WSDLNYQXSA-N 381.819 3.310 50 50 GGGA C[C@H](Cl)C(=O)NCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1 1875364896 XKNQNEDYIGBWFJ-ZDUSSCGKSA-N 399.894 3.126 50 50 GGGA Cc1cc(C)cc(-n2nc(C(=O)NCCSSCCC(=O)O)cc2C)c1 1875389049 ZUKIBSRZWITGCP-UHFFFAOYSA-N 393.534 3.383 50 50 GGGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(OCC)c2O)[nH]n1 946663 PUGMPKIMDJASIB-LPYMAVHISA-N 394.431 3.344 50 50 GGGA COc1ccc(NC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1OC 1390665 NQYYJNCWFYPUNU-UHFFFAOYSA-N 384.219 3.477 50 50 GGGA Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 2865064 NCVONXMEIMVUDI-UHFFFAOYSA-N 387.867 3.346 50 50 GGGA COc1ccc(Br)cc1/C=N\NC(=O)CNc1ccc(C)cc1 32606198 CBLQPDSMQMJTCT-JMIUGGIZSA-N 376.254 3.328 50 50 GGGA CC(=O)NN1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 5831678 CUPBTXJTCCNMLT-QGZVFWFLSA-N 384.867 3.127 50 50 GGGA CCOc1ccccc1/C=N/NC(=O)c1ccccc1I 1229061 TYEKMSAMWICLOY-WOJGMQOQSA-N 394.212 3.454 50 50 GGGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1 1427318 IEDBIAGQMKXRHY-QGZVFWFLSA-N 375.453 3.479 50 50 GGGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3F)[C@H]2C1 4149565 ORJGHHRUVKINGZ-HKUYNNGSSA-N 379.414 3.099 50 50 GGGA Cc1nc2ccc(C(=O)N[C@@H]3C[C@H](NC(=O)CCl)C34CCC4)cc2s1 1875383934 HKAFHUYZULGIRA-LSDHHAIUSA-N 377.897 3.001 50 50 GGGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(Br)c1 849761 ATLHAYPBVUXPRX-OAHLLOKOSA-N 393.237 3.102 50 50 GGGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/C=C/c1ccccc1 95849999 DWXLJHOSOZWCJF-XKMLUPIFSA-N 396.922 3.273 50 50 GGGA CC(C)(C)[Si](OC[C@@](C)(CO)CCCO)(c1ccccc1)c1ccccc1 169837948 LJVWNZNKPUMNCH-HSZRJFAPSA-N 386.608 3.334 50 50 GGGA CCc1c(C(=O)N/N=C2\C(=O)Nc3cccc(Br)c32)csc1C 6955828 MJZXBHKHQQQSRH-UHFFFAOYSA-N 392.278 3.468 50 50 GGGA Cc1ccc(NC(=O)[C@H](Br)[C@H](Br)C(=O)O)cc1Cl 1751368 VSQDQXZWQZLULA-BDAKNGLRSA-N 399.466 3.199 50 50 GGGA CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Br)cc2)CC(=O)N1 874771 WWNCEURFTHHTLE-GFCCVEGCSA-N 395.278 3.084 50 50 GGGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 1740859 ZIPYUCIEUCRROV-UDWIEESQSA-N 379.376 3.148 50 50 GGGA Cc1ccc(OCC(=O)N/N=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 32606385 QWUKFRFJPSQIEI-BKUYFWCQSA-N 378.388 3.223 50 50 GGGA COC(=O)c1ccccc1NC(=O)NNC(=S)Nc1ccc(Cl)cc1 2856748 DBWGUQMOFGQNDS-UHFFFAOYSA-N 378.841 3.150 50 50 GGGA COc1ccc2cc(OCC(=O)NNC(=O)Nc3ccccc3OC)ccc2c1 20274024 LYQUIWFEVGAPCT-UHFFFAOYSA-N 395.415 3.089 50 50 GGGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 5562709 MYFYELHECJJDEN-OAHLLOKOSA-N 377.429 3.315 50 50 GGGA N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(/N)Sc1ccccc1N 2575702 DVEXZJFMOKTQEZ-MJZABRMRSA-N 380.502 3.123 50 50 GGGA aggregator,in-vivo COc1cc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC 660243 FFVJSEIVXHMZCF-SFHVURJKSA-N 384.432 3.163 50 50 GGGA CCOc1ccc(NC(=O)NNC(=O)Cc2ccc(Br)cc2)cc1 2853946 SLPRZMBQTORGHJ-UHFFFAOYSA-N 392.253 3.243 50 50 GGGA C[C@H](Br)C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 665887147 BJHSCBDYLCUECJ-NSHDSACASA-N 389.315 3.020 50 50 GGGA COc1cc(/C=N/NC(=O)Cc2cccn2C)ccc1OCc1ccccc1 2350137 CGZCAOAJKDSMSF-HZHRSRAPSA-N 377.444 3.306 50 50 GGGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1 1427317 IEDBIAGQMKXRHY-KRWDZBQOSA-N 375.453 3.479 50 50 GGGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccccc4Cl)[C@H]3[C@H]1CC2 253390197 WHMVSIICGXGYPV-HAFFEQERSA-N 375.863 3.226 50 50 GGGA O=C(CCl)NC1(C2CCN(C(=O)C3(Cc4ccc(F)cc4)CC3)CC2)CC1 1875384411 OKZWWMGSCMHUOH-UHFFFAOYSA-N 392.902 3.275 50 50 GGGA COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)c1cccs1 1063896 IDXQUXQEMWGDHF-CIAFOILYSA-N 381.413 3.135 50 50 GGGA COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 1195316 KNXIJHVPTUOITC-LPYMAVHISA-N 378.384 3.346 50 50 GGGA COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OC 6825568 JZRVFYGERNELPG-MDWZMJQESA-N 386.429 3.406 50 50 GGGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1 629534 SNBJMLWYRLXRRS-QGZVFWFLSA-N 376.368 3.028 50 50 GGGA CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1OC 1255425 HDPHVJBWFDQPEB-RGVLZGJSSA-N 384.461 3.213 50 50 GGGA CCNC(=S)NNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12 6843293 LJLOONVVQQZRLX-UHFFFAOYSA-N 393.310 3.004 50 50 GGGA Cc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1Cl 239165305 NXCCJOCNSXHYLU-ZZWKFIDSSA-N 384.657 3.158 50 50 GGGA C[C@@H](Cl)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 1875363700 SGDABYMTLMUVQU-KUHUBIRLSA-N 388.870 3.065 50 50 GGGA CN(C)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N 5033449 GHOBUMONFBIQOA-XNTDXEJSSA-N 399.414 3.365 50 50 GGGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 2769578 SIEZEBMXTAQTEC-GZMMTYOYSA-N 394.560 3.006 50 50 GGGA O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1CNNC(=O)Nc1ccccc1 253898244 RJNDVCNWVBWHLY-AIOUWFDISA-N 387.480 3.308 50 50 GGGA in-vivo O=P(CCN1CCO[C@H]1c1cccnc1)(c1ccccc1)c1ccccc1 29749232 FLBLRKXTUZQCSY-QFIPXVFZSA-N 378.412 3.427 50 50 GGGA C[C@H](NC(=O)CCl)[C@@H]1CCCN(C(=O)c2ccccc2OC2CCC2)C1 1875384479 QINLUXPDXMEGPH-LSDHHAIUSA-N 378.900 3.214 50 50 GGGA N=C(CSc1ncc(C(F)(F)F)cc1Cl)NNC(=O)c1ccncc1 1401265 SUOBDPQKWDSTSU-UHFFFAOYSA-N 389.790 3.153 50 50 GGGA COc1ccccc1[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H](C)Cl 1875375638 GXLXJBJMXWNCLM-MPKXVKKWSA-N 392.805 3.033 50 50 GGGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc(Oc2ccccc2)c1 12376807 ULKMFYQCTRPJNG-LJQANCHMSA-N 388.379 3.143 50 50 GGGA N#C/C(=C\c1cccn1-c1ccc(S(N)(=O)=O)cc1)c1nc2ccccc2[nH]1 4663537 CEUBSGZWIVLHPX-WYMLVPIESA-N 389.440 3.065 50 50 GGGA COC(=O)[C@@H](Br)P(=O)(OCC(F)(F)F)OCC(F)(F)F 36424798 MMHNTPNKYFALAL-BYPYZUCNSA-N 397.002 3.231 50 50 GGGA COc1cc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)[nH]n2)ccc1O 6786456 CZGYUYJKKDKICM-FSJBWODESA-N 394.475 3.356 50 50 GGGA CC(C)(C)OC(=O)N1CC2(C1)CC(CNC(=O)CCl)(c1ccccc1)C2 1875377707 LOIDSRZIEBSFJQ-UHFFFAOYSA-N 378.900 3.310 50 50 GGGA Cc1ccc(NCC(=O)N/N=C\c2cc3c(cc2Br)OCO3)cc1 32603859 JEEWRQCKDOXCOC-ZBKNUEDVSA-N 390.237 3.048 50 50 GGGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 2568469 VSSJDKCSMULWLH-KEBDBYFISA-N 380.231 3.481 50 50 GGGA O=C(CSc1ncccn1)N/N=C/c1ccccc1OCc1ccccc1 713634 ZZCICVCTQYNJBR-YDZHTSKRSA-N 378.457 3.298 50 50 GGGA Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)NCc2ccccc2)=C1C#N 2696751 GIAXRDCCSHGBLW-GOSISDBHSA-N 391.496 3.383 50 50 GGGA Cc1ccccc1C(=O)NNC(=O)COc1c(C)cc(Br)cc1C 2860397 LBUMVPXDHUNIKD-UHFFFAOYSA-N 391.265 3.214 50 50 GGGA O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 130010342 DLTWFCDINTYTQJ-BRWVUGGUSA-N 389.377 3.378 50 50 GGGA CC(=O)c1ccc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)cc1 6318206 APSXQYJNZVJMNR-UHFFFAOYSA-N 379.844 3.242 50 50 GGGA CC1(C)C[C@@H](NC(=O)C(Cl)Cl)C[C@](C)(CNC(=O)C(Cl)Cl)C1 695836 QDZKVAGCIPOBRA-CLAHSXSESA-N 392.154 3.411 50 50 GGGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C#N)=C(N)O2 1472216 HUTVUFKXPDGNGO-IBGZPJMESA-N 388.427 3.454 50 50 GGGA COc1ccc2cc(OCC(=O)N/N=C/c3cccc(OC)c3O)ccc2c1 17077711 BSKGSMQWXBWOPB-WSDLNYQXSA-N 380.400 3.092 50 50 GGGA CCc1ccccc1O[C@@H](C(=O)NNc1c(C#N)c(C)nn1C)c1ccccc1 1875349561 BOZVJLPSHCOZMU-HXUWFJFHSA-N 389.459 3.426 50 50 GGGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1 5359681 ZWETVBBLJIZOQQ-WSDLNYQXSA-N 382.445 3.121 50 50 GGGA Cc1cccc(NC(=S)N[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)c1 3130818 BDHOZZQPXKSHFJ-SNVBAGLBSA-N 389.135 3.333 50 50 GGGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccncc3)c2)cc1 2542683 UDRGMLXLMWSOSL-OEAKJJBVSA-N 375.384 3.073 50 50 GGGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@@H]2C1 13381981 ILIQYWQMSHRTHR-IEBWSBKVSA-N 377.879 3.474 50 50 GGGA Cc1ccc(-c2c(C(=O)NNC(=S)NC[C@@H]3CCCO3)csc2C)cc1 13519761 CUEBHVUXWKGNRQ-HNNXBMFYSA-N 389.546 3.320 50 50 GGGA CCc1c(C)sc(NC(=S)NNC(=O)Cc2cccs2)c1C(=O)OC 2850900 BSXPKPIOCIOUPP-UHFFFAOYSA-N 397.547 3.027 50 50 GGGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4259795 ZDHULBVEEYFWQO-LUILSVGHSA-N 392.411 3.221 50 50 GGGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1Cl 4282594 WAYUQZRKMODLQB-DJKKODMXSA-N 394.656 3.500 50 50 GGGA Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)CCc1ccccc1 18275860 JOVOCCULSNFSLA-UHFFFAOYSA-N 386.249 3.163 50 50 GGGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1cnccn1 2597719 FIJZDUWOESMMQF-FOKLQQMPSA-N 380.791 3.113 50 50 GGGA Cc1ccc2c(c1)C[C@H](C(=O)NC1(CNC(=O)CCl)CCCCC1)S2 1875384913 YLSKZEFPDSKAHW-MRXNPFEDSA-N 380.941 3.186 50 50 GGGA COc1cc(OC)c(C(=O)N/N=C/c2c[nH]nc2-c2ccc(C)cc2)cc1OC 13321963 KASFKGVCKQLSHR-FSJBWODESA-N 394.431 3.175 50 50 GGGA CCOc1ccc(NC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1 15924873 VTMHEJJJYKNRTI-UHFFFAOYSA-N 379.416 3.470 50 50 GGGA CCOc1ccc([C@@H]2[C@H](C(=O)C3CC3)N3C=C(C#N)C=C[C@@H]3C2(C#N)C#N)cc1 4728670 PTLNYAIIUWITKU-NJDAHSKKSA-N 384.439 3.212 50 50 GGGA O=C(CCl)NC[C@@H](NC(=O)C[C@H]1CCCCO1)c1ccc2ccccc2c1 1875383666 BSNVITWIGAIIAK-RTBURBONSA-N 388.895 3.311 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccc(C(=O)OC)cc2)nc2ccccc21 730028 XEMHPIKVPMSKEZ-CIAFOILYSA-N 396.472 3.085 50 50 GGGA Cc1cccc(OCC(=O)N/N=C/c2cccc(I)c2)c1 1027701 XZTRIASTKGXYIB-VCHYOVAHSA-N 394.212 3.129 50 50 GGGA COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1O 1216159 RFGGVNLKDUVCHI-AWQFTUOYSA-N 392.253 3.034 50 50 GGGA CCOc1cccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c1O 12362616 IYDHFXSHDVYTKG-BIFQTZPZSA-N 392.411 3.234 50 50 GGGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc2c(cc1Br)OCO2 245226887 QOGSGSHRKRPWFB-SGUXVUQKSA-N 379.254 3.454 50 50 GGGA O=C(CCl)NCc1ccc(CNC(=O)[C@H]2CSc3ccccc32)c(F)c1 1875384706 VCEOQBFGXVNZEZ-HNNXBMFYSA-N 392.883 3.186 50 50 GGGA CC(C)C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1178231 QSIGAYLBJGAJSU-KRWDZBQOSA-N 382.372 3.211 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2OC)nc2ccccc21 1244229 JLKUICWKMJPKPT-CIAFOILYSA-N 398.488 3.316 50 50 GGGA Cc1ccc(NC(=S)N[C@H](NC(=O)CCl)C(Cl)(Cl)Cl)cc1 3121628 GVSHIUUTVRDBLL-JTQLQIEISA-N 389.135 3.333 50 50 GGGA COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 1449842 XWOYJSJGZWLGDW-ZGXHQARYSA-N 377.238 3.375 50 50 GGGA O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@H]1CNNC(=O)Nc1ccccc1 100014093 RJNDVCNWVBWHLY-CDDJCDPKSA-N 387.480 3.308 50 50 GGGA in-vitro Cc1ccc(NC(=O)[C@@H](Br)[C@@H](Br)C(=O)O)cc1Cl 1751372 VSQDQXZWQZLULA-DTWKUNHWSA-N 399.466 3.199 50 50 GGGA Cc1cc(O)c(C)c(O)c1/C=N\NC(=O)[C@H]1COc2cc3ccccc3cc2O1 55444149 CTTMKKQZLJHJGR-QASZEQDYSA-N 392.411 3.158 50 50 GGGA COc1ccc(/C=N/NC(=O)c2ccccc2I)cc1 833027 FZRMCUWGOPCJDN-LICLKQGHSA-N 380.185 3.064 50 50 GGGA CCOc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1 1229111 VYSZHBAQMCNOLL-WOJGMQOQSA-N 394.212 3.454 50 50 GGGA O=C(CSCc1ccccc1Cl)NNC(=O)Nc1ccc2c(c1)OCO2 2850948 ZPPJZXBUQXJXQT-UHFFFAOYSA-N 393.852 3.155 50 50 GGGA CCN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@@H]2C1 13151287 RVFTYZUZLXPIGM-QRQLOZEOSA-N 397.404 3.449 50 50 GGGA C=CCc1cccc(/C=N/NC(=O)c2cc(Br)ccc2O)c1O 857244 FLKXUOVIAWGILK-VXLYETTFSA-N 375.222 3.353 50 50 GGGA CCOc1ccc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)cc1 6393609 IUKBRJQLFZTVKK-UHFFFAOYSA-N 381.860 3.438 50 50 GGGA COc1ccc(C(=O)N/N=C(\C)CC(=O)NC2CCCCCCC2)c(OC)c1 100331615 FXGYVNYRXIORBX-HZHRSRAPSA-N 389.496 3.429 50 50 GGGA Cc1ccc(NCC(=O)N/N=C\c2ccc(OC(=O)c3ccco3)cc2)cc1 32593017 VUKXBMBHHHCPNV-QRVIBDJDSA-N 377.400 3.369 50 50 GGGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 33936217 ABMKNPQFZJTTJU-OALUTQOASA-N 377.879 3.474 50 50 GGGA Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)[C@@H](C)Cl)c2ccccc2)c(C)c1 1875364136 FFJIYIABIHQUDG-NVXWUHKLSA-N 394.924 3.067 50 50 GGGA CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Br)cc2)CC(=O)N1 874774 WWNCEURFTHHTLE-LBPRGKRZSA-N 395.278 3.084 50 50 GGGA CCCC1=C(C(=O)OCC)[C@H](c2ccc(OC)c(C)c2OC)C(C#N)=C(N)O1 729278 BHVXBUSDYVYTHK-QGZVFWFLSA-N 386.448 3.437 50 50 GGGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)[nH]n1 9015435 APHIYSAGDXJSKC-LPYMAVHISA-N 394.431 3.257 50 50 GGGA Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccccc3)=C2C#N)cc1 9109250 JKMMZMWOVMFKCM-SFHVURJKSA-N 391.496 3.383 50 50 GGGA CC(/C=N\NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)=C\c1ccccc1 32573637 NQKSPFNWHLYJGC-SOCVPIHSSA-N 379.376 3.252 50 50 GGGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2571799 GKKYRGFWJHWCGP-KEBDBYFISA-N 380.231 3.481 50 50 GGGA CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 3113450 DFHHUNKNKQYZSH-YDZHTSKRSA-N 386.883 3.066 50 50 GGGA C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc([N+](=O)[O-])cc1 4135620 WQAPJIVKOZDECB-NDENLUEZSA-N 383.433 3.114 50 50 GGGA O=C(O)CCC/C=C\C[C@@H]1[C@@H](CNNC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 148810868 RJNDVCNWVBWHLY-VXLAQKENSA-N 387.480 3.308 50 50 GGGA in-vivo O=C(CCl)NC1(CNC(=O)C2(Cc3ccccc3F)CC2)CCCCC1 1875384953 ZERSECPLLUEJBO-UHFFFAOYSA-N 380.891 3.323 50 50 GGGA O=C(O)CCSSCCNC(=O)c1cccc(-c2ccc(F)cc2)n1 1875388652 KIMFUAPISPLYDU-UHFFFAOYSA-N 380.466 3.474 50 50 GGGA CCc1cccc2c1NC(=O)[C@]21C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 1124486 NXCXWJFNOAYNAY-QHCPKHFHSA-N 397.438 3.068 50 50 GGGA O=C(N/N=C/c1ccco1)c1cc(Br)cc(Br)c1O 1228261 CZNWFBZJEGDVEU-GIDUJCDVSA-N 388.015 3.274 50 50 GGGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)c(Br)c1 752509 CDBYSQAHCFYEDN-CQSZACIVSA-N 381.201 3.233 50 50 GGGA CN(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 4116243 HODMAEKTECJFAU-QGZVFWFLSA-N 382.420 3.112 50 50 GGGA Cc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@]32C(=O)Nc3ccccc32)cc1 4776935 BYKHWIPFEMAPKY-OWJWWREXSA-N 397.434 3.310 50 50 GGGA C[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 1066656 VTEBBVAAJDYBBB-VKPPLCHCSA-N 397.254 3.370 50 50 GGGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 4261160 JGENXHZZAXEJEA-YDZHTSKRSA-N 387.867 3.399 50 50 GGGA CCCOc1cccc(-c2cc(C(=O)NNC(=S)NC)c3ccccc3n2)c1 6636347 PZEGUTGULUDSGQ-UHFFFAOYSA-N 394.500 3.429 50 50 GGGA CC(=O)O[C@H](c1ccccc1)c1nc(C2CCN(C(=O)[C@H](C)Cl)CC2)no1 1875364912 XZDSZMBEDKKWCJ-BLLLJJGKSA-N 391.855 3.055 50 50 GGGA COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(O)cc2oc(=O)cc(C)c32)c1 1226930 SPAJRHVLPFUSDG-SFHVURJKSA-N 376.368 3.034 50 50 GGGA O=C(NNC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1)c1ccccc1 263639752 HIVQTNKJZKYTLC-UHFFFAOYSA-N 382.729 3.081 50 50 GGGA N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)N1CCOCC1 15769393 RTJDUIDOSDKXBC-QBFSEMIESA-N 380.429 3.073 50 50 GGGA CCOc1ccc(NC(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 17077289 QPDPGAUYMZZAOH-LBPRGKRZSA-N 377.828 3.359 50 50 GGGA CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CI)C2 85345449 USSPBBSWVQVHKR-LLVKDONJSA-N 381.254 3.228 50 50 GGGA in-vitro O=C(CCC(=O)N/N=C/c1ccccc1Cl)N/N=C\c1ccccc1Cl 32565798 ZZULKYJVKDIEFK-ZCJKAFFOSA-N 391.258 3.374 50 50 GGGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 716738 GTBMZBHGKCPEBM-QGZVFWFLSA-N 384.432 3.163 50 50 GGGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1ccc(Cl)cc1Cl)C(F)(F)F 2769950 VVBCDZSYTQDMBM-KWQFWETISA-N 394.560 3.006 50 50 GGGA C[C@]12C[C@H](O)[C@@H](Br)C[C@]1(C)C2(Br)Br 254447658 UNNVKMAHOLSSIG-XAMCCFCMSA-N 376.914 3.417 50 50 GGGA CNS(=O)(=O)c1ccc(N/C=C(\C=O)c2nc3cc(Cl)ccc3o2)cc1 2902644 RYQVYALBKLVZFG-PKNBQFBNSA-N 391.836 3.041 50 50 GGGA CCOc1cc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)ccc1O 5296947 CUPUCSXOFWRTQE-WSDLNYQXSA-N 376.416 3.044 50 50 GGGA O=C(CC1CC1)NNC(=O)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 2325820505 MBBNYPLIEUGDKJ-UHFFFAOYSA-N 388.427 3.077 50 50 GGGA CC(C)c1ccc([C@H]2C(C#N)=C(SCC(N)=O)NC3=C2C(=O)CCC3)cc1 2343362 PNAREPRDGNVVSY-IBGZPJMESA-N 381.501 3.458 50 50 GGGA C#CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21 2838565 TXLCBQLZWRLHPK-SFHVURJKSA-N 397.228 3.385 50 50 GGGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccc(O)cc1 4209875 YSFQKFSRWIAWNG-ZVBGSRNCSA-N 387.848 3.140 50 50 GGGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)[C@@H]1C[C@H]1c1ccccc1 4992200 VIOIZLXGSJNBRQ-HVSLSVJNSA-N 387.233 3.432 50 50 GGGA O=C(O)CCSSCCNC(=O)c1cc(Oc2ccccc2)ccn1 1875388977 XATHTQXKYBYDHA-UHFFFAOYSA-N 378.475 3.460 50 50 GGGA CC(C)(CNC(=O)CCl)C1CCN(C(=O)C[C@H]2OCc3ccccc32)CC1 1875384774 WWFZMSNCUFELKZ-GOSISDBHSA-N 392.927 3.268 50 50 GGGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(OC2CCCC2)cc1 1005689 IQGYURLBQNQNKZ-SRZZPIQSSA-N 397.387 3.409 50 50 GGGA C[C@H]1CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 4708625 PCUBSJCNPGMETO-SHACYNPGSA-N 396.450 3.344 50 50 GGGA N#CC1=C(SCC(N)=O)NC(=O)C[C@H]1c1cccc(Oc2ccccc2)c1 841881 GEQWMZPCLFIAQF-INIZCTEOSA-N 379.441 3.036 50 50 GGGA CCOc1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 17077288 QPDPGAUYMZZAOH-GFCCVEGCSA-N 377.828 3.359 50 50 GGGA COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1OC 1208013 VYLRXOBLGCOCHB-WSDLNYQXSA-N 398.850 3.366 50 50 GGGA COc1cccc(C(O)(C(=O)NNc2ccccc2C)c2cccc(OC)c2)c1 1513348 MTOYRWHIHBJEBF-UHFFFAOYSA-N 392.455 3.391 50 50 GGGA Cc1scc(C(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1-c1ccccc1 2784818 VYLUFMRJBLUFMM-GJZGRUSLSA-N 386.473 3.376 50 50 GGGA CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1C 826774 PUJJWGCDPDZESJ-UHFFFAOYSA-N 392.433 3.153 50 50 GGGA Cc1cc([C@@H]2C(C#N)=C(N)N(c3ncn[nH]3)C3=C2C(=O)CC(C)(C)C3)c(C)s1 2381737 OCADSUOQHVZERO-MRXNPFEDSA-N 394.504 3.424 50 50 GGGA COc1ccc(O)c(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c1 1209810 GKTHTTBSDAZQPI-SRZZPIQSSA-N 384.823 3.063 50 50 GGGA O=C(CNC(=O)Nc1cccc(Cl)c1)N/N=C/c1c(O)ccc2ccccc12 2141393 DKCQKKGLIKILFN-FOKLQQMPSA-N 396.834 3.471 50 50 GGGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OC 43761057 VJEZSUKTXMPGMC-AWQFTUOYSA-N 396.230 3.099 50 50 GGGA CC(C)c1ccc(OCC(=O)NNC(=O)c2ccco2)c(Br)c1 1298617 BSZLGVPMJVSZLN-UHFFFAOYSA-N 381.226 3.006 50 50 GGGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1O 4419027 FSCGDDROHDFZJQ-CWTRNNRKSA-N 378.384 3.202 50 50 GGGA O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1COc2ccccc2O1 889208 MPQFJUKDQXNXNL-QVQQHXNLSA-N 393.355 3.145 50 50 GGGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccco2)C3)cc1O 2190754 FSCGDDROHDFZJQ-BUXKBTBVSA-N 378.384 3.202 50 50 GGGA CC(=O)O[C@H](c1ccccc1)c1nc(C2CCN(C(=O)[C@@H](C)Cl)CC2)no1 1875364914 XZDSZMBEDKKWCJ-MLGOLLRUSA-N 391.855 3.055 50 50 GGGA COC(=O)/C(C#N)=C/c1ccc(OC)c(COc2ccccc2C(=O)OC)c1 2776823 GPNYOCZDWCYYKE-XNTDXEJSSA-N 381.384 3.141 50 50 GGGA C=CCOc1ccccc1/C=N/NC(=O)[C@H](O)c1ccc(Br)cc1 2839142 NTXNMPJGARBSLF-XNHPLOEXSA-N 389.249 3.198 50 50 GGGA O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1C(=O)NCCCl 71770338 WCIHFKQISBEVHB-UHFFFAOYSA-N 376.243 3.472 50 50 GGGA CN(C(=O)C[C@@H]1CCOc2ccccc21)C1CCC(NC(=O)CCl)CC1 1875384224 MMCNOKAOBVPUMQ-FHERZECASA-N 378.900 3.067 50 50 GGGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4cccc(Cl)c4)[C@H]3[C@H]1CC2 253390195 SRXGHYFYLFKBSY-UTRMSSBJSA-N 375.863 3.226 50 50 GGGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(C(F)(F)F)c3)[C@H]2C1 16034305 QZAVMRGXOHUPIQ-DLBZAZTESA-N 383.377 3.061 50 50 GGGA Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NNC(=O)Cc1cccnc1 186582595 MPIBLPXSUGSKAD-INIZCTEOSA-N 381.480 3.164 50 50 GGGA CCc1nc(C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)co1 1875383706 CZZCRDYKTFPHQE-INIZCTEOSA-N 385.851 3.216 50 50 GGGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 1028133 JAUZJGJHLADFQZ-DZUMZMOTSA-N 390.281 3.433 50 50 GGGA CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1cccc(Br)c1 1472190 UHJJCIKAPJSRMW-ZDUSSCGKSA-N 397.656 3.313 50 50 GGGA CO[C@]1(c2cccc(OP(=O)(O)O)c2)OOC12C1CC3CC(C1)CC2C3 100019081 XYIPYISRNJUPBA-MVHGTJQLSA-N 382.349 3.114 50 50 GGGA O=[n+]1c2c(n(O)c3ccccc31)[C@@H](Br)CC[C@H]2Br 196415513 IMNHCNSQYQTMLX-JGVFFNPUSA-N 375.040 3.459 50 50 GGGA CCOc1ccc(OCc2ccc(C(=O)NNC(=S)NCC(C)C)o2)cc1 2794189 MSFYHFYLHIDTER-UHFFFAOYSA-N 391.493 3.022 50 50 GGGA O=C(Nc1cccc2ccccc12)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239309238 HIVUJUYHDXHLEM-RZRDZNJRSA-N 386.245 3.349 50 50 GGGA O=C(CCl)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)c1nsc2ccccc12 1875384454 PWWVAWNLKVRKKI-YHWZYXNKSA-N 377.897 3.177 50 50 GGGA O=[N+]([O-])c1ccc(N/N=C2\CO[C@H](CCCBr)C2)c([N+](=O)[O-])c1 43761482 NCLLLEYVISYMAB-PDICVPPASA-N 387.190 3.235 50 50 GGGA COc1cc(/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc(Br)c1O 16293689 AGNXBMZCCGMJGE-IZZDOVSWSA-N 398.216 3.464 50 50 GGGA O=C(N/N=C/c1cc2c(cc1Br)OCO2)[C@H]1C[C@H]1c1ccccc1 4992199 VIOIZLXGSJNBRQ-QJQKFFLCSA-N 387.233 3.432 50 50 GGGA Cc1cc(C(=O)NNC(=O)N[C@H]2[C@@H]3c4ccccc4CC[C@H]32)c2ccccc2n1 772631947 UAKRETAXWWFKNM-DUXKGJEZSA-N 386.455 3.216 50 50 GGGA COCOC[C@](C)(O)[C@H](COC(C)=O)O[Si](C(C)C)(C(C)C)C(C)C 169836445 VUPNIHWEZWLKMI-ROUUACIJSA-N 378.582 3.482 50 50 GGGA CCC1=Nc2ccc(Br)cc2[C@@H](c2ccccc2)N1CC(=O)NN 2689670 QFMMELNBJKXCLB-GOSISDBHSA-N 387.281 3.284 50 50 GGGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21 169745363 NXKIUYOUKLIWLP-UHFFFAOYSA-N 391.349 3.488 50 50 GGGA in-vitro Cc1ccc2c(c1)/C(=N\NC(=O)COc1cccc(Cl)c1Cl)C(=O)N2 241409064 NEHRQUWSHPQMGO-UHFFFAOYSA-N 378.215 3.153 50 50 GGGA C[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(CN2CCN3C(=O)NC[C@H]3C2)s1 253424983 NGYDNLVMNSMZPE-KGLIPLIRSA-N 396.633 3.435 50 50 GGGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](Cc1ccccc1)C(C#N)=C(N)O2 1472193 HAGGCUKPKMOILB-SFHVURJKSA-N 384.439 3.013 50 50 GGGA O=C(CCl)NCc1ccc(CNC(=O)[C@@]2(C3CCC3)CC2(F)F)c(F)c1 1875384449 PRILGTXMMTZAJQ-KRWDZBQOSA-N 388.817 3.122 50 50 GGGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(SC)cc3)[C@H]2C1 4457874 GGBSXWZQGOBIFI-OALUTQOASA-N 375.501 3.154 50 50 GGGA COc1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1Br 32606232 KPSXXMDSNLZZAS-JMIUGGIZSA-N 376.254 3.328 50 50 GGGA O=C(N/N=C/c1cccs1)c1ccc(C(=O)N/N=C/c2cccs2)cc1 1230133 HUNRLYBHENCVSA-AYKLPDECSA-N 382.470 3.337 50 50 GGGA COc1cccc(COc2ccccc2/C=N/NC(=O)c2cc(O)cc(O)c2)c1 13321697 LJAMNJZXNRVZAI-YDZHTSKRSA-N 392.411 3.449 50 50 GGGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4c(F)cccc4Cl)[C@@H]3[C@H]1CC2 826691994 SDNICZOASPRHKD-YMPHWICMSA-N 393.853 3.365 50 50 GGGA COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccccc1 3192653 DRWILYHOQNJWIC-OEAKJJBVSA-N 375.384 3.073 50 50 GGGA C[C@@H](c1ccc2c(c1)NC(=O)CO2)N(Cc1ccc(C#N)cc1)C(=O)CCl 2325893145 IPNYYZBCGZFQCT-ZDUSSCGKSA-N 383.835 3.218 50 50 GGGA CCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 100551238 MQHQFWKWWRFTOG-UHFFFAOYSA-N 387.480 3.239 50 50 GGGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 2519901 QIBUMRNUGFTNQK-FYJGNVAPSA-N 380.425 3.496 50 50 GGGA O=C(NNC(=S)NCCc1ccccc1)c1ccc(OC2CCCC2)cc1 5061119 JPUXJVMUHBCFMB-UHFFFAOYSA-N 383.517 3.360 50 50 GGGA O=C(Oc1ccccc1/C=N/NC(=O)c1cnccn1)c1ccc(Cl)cc1 2542474 FJKWYJASZFGCLM-FOKLQQMPSA-N 380.791 3.113 50 50 GGGA C/C(=N\NC(=O)[C@@H](C)Oc1ccc(F)cc1F)c1ccc(-n2ccnc2)cc1 20311129 PYMLWWVHGITYRV-FIKYGGOLSA-N 384.386 3.458 50 50 GGGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)cc1OC 4171008 RUHUTYUMORTFEX-QGZVFWFLSA-N 389.415 3.097 50 50 GGGA Cc1ccc2cc(/C=N/NC(=O)CNC(=O)c3ccc(F)cc3)c(Cl)nc2c1 2532020 HMOSDBRAFKILQG-YSURURNPSA-N 398.825 3.216 50 50 GGGA O=C(NNC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccccc1-n1cccc1 1121738 DDYQRMLXHLHMSY-UHFFFAOYSA-N 381.417 3.017 50 50 GGGA COC(=O)[C@]1(C)C[C@@H](C(=O)OC(C)(C)C)[C@H](c2ccccc2)N1C(=O)CCl 526056113 XIDNSAPSRWFZEE-IIMJZQEZSA-N 395.883 3.088 50 50 GGGA Cc1ccc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)o1 4210668 XGHJPTNASLTGSD-DNTJNYDQSA-N 375.837 3.336 50 50 GGGA C[C@H](NC(=O)CCl)C1CCN(C(=O)[C@@H](c2ccc(F)cc2)C2CC2)CC1 1875383759 DNMXODRCERQTRQ-ORAYPTAESA-N 380.891 3.301 50 50 GGGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3O)cc2)c1 2542843 JNVPRVNQHBQGQU-YDZHTSKRSA-N 390.395 3.389 50 50 GGGA CC(C)(C)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 19834359 FINAGJBNNRYORN-KOEQRZSOSA-N 392.547 3.252 50 50 GGGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Br)cc2)n1 5541505 PTDKPJMAJDMKSG-CAOOACKPSA-N 379.283 3.098 50 50 GGGA Cc1ccc2c(c1)C[C@@H](C(=O)NC1(CNC(=O)CCl)CCCCC1)S2 1875384912 YLSKZEFPDSKAHW-INIZCTEOSA-N 380.941 3.186 50 50 GGGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@H]2C1 19880165 ILIQYWQMSHRTHR-PKOBYXMFSA-N 377.879 3.474 50 50 GGGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 716737 GTBMZBHGKCPEBM-KRWDZBQOSA-N 384.432 3.163 50 50 GGGA Cc1ccc(S(=O)(=O)NNC(=O)c2cc3cc4ccccc4nc3s2)cc1 1399197 WJJFWEQXRULRQN-UHFFFAOYSA-N 397.481 3.381 50 50 GGGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(O)cc3)c2)cc1 2543052 XRVXOSTUIHEECB-OEAKJJBVSA-N 390.395 3.384 50 50 GGGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 4086378 SRQMRDLRNFVREL-AFUMVMLFSA-N 392.459 3.227 50 50 GGGA O=C(CCl)NCc1ccc(CNC(=O)[C@@H]2CCc3cc(F)ccc32)c(F)c1 1875383779 DTRDJNHWQSNNCF-QGZVFWFLSA-N 392.833 3.166 50 50 GGGA CC(C)(C)c1nc(CC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)CCl)cs1 1875384470 QGWQGYWUWPFNPY-OCCSQVGLSA-N 385.961 3.013 50 50 GGGA N#CC(=Cc1cc2c(cc1[N+](=O)[O-])OCO2)S(=O)(=O)c1ccc(Cl)cc1 2053508637 CVWZSALHPLHKJU-UHFFFAOYSA-N 392.776 3.315 50 50 GGGA CCOC(O)=C1C=CC(=N/C=C(/C#N)S(=O)(=O)c2ccc(OC)cc2)C=C1 334158041 KEJZSOVAHQKIDN-BVGLCJRQSA-N 386.429 3.207 50 50 GGGA C[C@]12CCN(C(=O)c3ncn4c3COc3ccccc3-4)C[C@H]1[C@H]2Br 1875309280 DPBDDTABUZTATN-LSKLOWJMSA-N 388.265 3.010 50 50 GGGA O=C(NNC(=O)c1ccc(Cn2cccn2)o1)Nc1ccc(Cl)c(Cl)c1 2763277 OCERMXHTNAYNGL-UHFFFAOYSA-N 394.218 3.298 50 50 GGGA O=C(Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1)c1cccs1 731403 DOTCPCDPTRSPJB-RGVLZGJSSA-N 382.397 3.142 50 50 GGGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccc2ccccc12 5020113 WWUYRBOHPBZQER-HXUWFJFHSA-N 377.469 3.343 50 50 GGGA COc1ccc(/C=N/NC(=O)Cc2cccn2C)cc1OCc1ccccc1 2359337 WHNUSCWBQONKGH-HZHRSRAPSA-N 377.444 3.306 50 50 GGGA CCS(=O)(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799748707 VQHPDDOSEGRELR-UHFFFAOYSA-N 397.378 3.128 50 50 GGGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCCO 100528494 NSNWMKPWILZRHU-FQEVSTJZSA-N 382.460 3.194 50 50 GGGA COc1ccc(C(=O)N/N=C/c2ccc(OC)c(Cn3cc(Cl)cn3)c2)cc1 5720429 HXLMCCNCUBXNOB-LSHDLFTRSA-N 398.850 3.366 50 50 GGGA CCOc1ccc([C@@H]2[C@H](C(=O)C3CC3)N3C=C(C#N)C=C[C@H]3C2(C#N)C#N)cc1 244778599 PTLNYAIIUWITKU-PWRODBHTSA-N 384.439 3.212 50 50 GGGA CC(C)Oc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)CCl)C3)C2)cc1 1875384502 RCANCRGRVZZUKU-FQEVSTJZSA-N 378.900 3.167 50 50 GGGA Cc1ccc(C)c(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)c1C 5614096 ZJLRQKJHNDOSFB-FSJBWODESA-N 392.459 3.341 50 50 GGGA COc1ccc(C(=O)Nc2cccc(OCCNC(=O)[C@H](C)Cl)c2)cc1 1875363705 SLUPOZJNZZNKIW-ZDUSSCGKSA-N 376.840 3.070 50 50 GGGA COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2Br)c1 1197646 OCNMHXAMBMZXHH-MKFNJMOCSA-N 377.238 3.375 50 50 GGGA C[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1202284 RUIRCLHHKKJXMY-HPAYWCODSA-N 391.225 3.308 50 50 GGGA C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1cccc(NC(=O)c2ccco2)c1 5381602 SMMKUWNRJHSYPQ-IXOWOOARSA-N 377.400 3.106 50 50 GGGA Cc1c(/C=N/NC(=O)[C@H]2CCCCO2)c2ccccn2c1CCc1ccncc1 1875265730 ZGNPANCBGBMHKH-NJRDNMGOSA-N 390.487 3.447 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccc(N(C)C)cc2)nc2ccccc21 1475135 BMUJKXXGJWHVSM-FYJGNVAPSA-N 381.505 3.365 50 50 GGGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3F)[C@@H]2C1 4149564 ORJGHHRUVKINGZ-MJGOQNOKSA-N 379.414 3.099 50 50 GGGA COc1ccc(NC(=S)NNC(=O)c2ccccc2-n2cccc2)c(OC)c1 1118835 GNOXHHPJEUUZTK-UHFFFAOYSA-N 396.472 3.126 50 50 GGGA C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc([N+](=O)[O-])cc1 9339639 YNNMBENINUOARN-YBFXNURJSA-N 394.347 3.047 50 50 GGGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccccc2Cl)sc2c1CCCC2 4210361 KAHDDLRZOVXHDY-UFFVCSGVSA-N 386.864 3.241 50 50 GGGA CC[C@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 2867175 PQUCBTNWUPCVMV-AWEZNQCLSA-N 386.448 3.057 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 4473396 ICBCQVWSJXHQPD-MOPGFXCFSA-N 377.879 3.475 50 50 GGGA CCOc1ccc(CC(=O)NNC(=S)Nc2ccccc2C)cc1OCC 2795502 UNGFGJUTPYVNFZ-UHFFFAOYSA-N 387.505 3.353 50 50 GGGA COc1ccc(/C(C)=N/NC(=O)CCC(=O)Nc2ccccc2C)c(OC)c1 4751030 JDCDLLVFNBIWHL-HZHRSRAPSA-N 383.448 3.271 50 50 GGGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(=O)OC)cc3)[nH]n2)cc1 945646 LRNFPNXVLOULQV-LPYMAVHISA-N 392.415 3.026 50 50 GGGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 37866079 VRAYFUBETQWEMJ-SPJXWURQSA-N 381.417 3.379 50 50 GGGA C/C(=N\NC(=O)[C@H](C)Oc1ccc(F)cc1F)c1ccc(-n2ccnc2)cc1 20311135 PYMLWWVHGITYRV-KIQCMGJBSA-N 384.386 3.458 50 50 GGGA C=CC(=O)N(C)c1ccc(C(=O)NNC(=O)Nc2ccc(C)cc2Cl)cc1 1875374089 ZWLJZLCUSKOAAU-UHFFFAOYSA-N 386.839 3.264 50 50 GGGA Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NNC(=O)Cc1cccnc1 186582613 MPIBLPXSUGSKAD-MRXNPFEDSA-N 381.480 3.164 50 50 GGGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 3668260 XKUSDJUFRAOUJH-HNNXBMFYSA-N 375.222 3.260 50 50 GGGA O=C(N/N=C/c1cccnc1)/C(=C\c1cccs1)NC(=O)c1ccccc1 2942653 UFMRZNNBEUSYRA-VRMLTYMRSA-N 376.441 3.064 50 50 GGGA CC(C)(C)OC(=O)N(CC(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 100136591 FSRNHDLQBNOYJK-UHFFFAOYSA-N 390.433 3.395 50 50 GGGA O=C(Cc1cccc2ccccc12)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 130423654 JYLPSQYAXMVGLS-ACIOBRDBSA-N 385.467 3.441 50 50 GGGA COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2Br)c1 1197650 OCNMHXAMBMZXHH-ZGXHQARYSA-N 377.238 3.375 50 50 GGGA CCc1ccc(C(=O)NNC(=S)Nc2sc(CC)cc2C(=O)OC)s1 2851598 PFBXJRXKHNGVLR-UHFFFAOYSA-N 397.547 3.352 50 50 GGGA Cc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2[nH]nc(C)c21 5135304 GZHAVJUNKFVXSR-KPWVOAKYSA-N 389.459 3.031 50 50 GGGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)c(OC)c1OC 5297266 RFJIJNJQENDYNL-WSDLNYQXSA-N 394.431 3.175 50 50 GGGA C/C(CC(=O)NCCc1ccccc1)=N\NC(=O)C12CC3CC(CC(C3)C1)C2 100090618 DLOSVXBNWUQYOE-PCLIKHOPSA-N 381.520 3.444 50 50 GGGA CCc1nc(C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)co1 1875383708 CZZCRDYKTFPHQE-MRXNPFEDSA-N 385.851 3.216 50 50 GGGA CC(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(=O)OC(C)C 169745187 WTAZEIUCUCCYIA-ZIAGYGMSSA-N 378.614 3.330 50 50 GGGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(O)cc2O)n(-c2ccccc2)n1 5284278 OFAMTOLWXDCYMV-LPYMAVHISA-N 378.432 3.345 50 50 GGGA O=C(Cc1ccc(-c2ccccc2)cc1)NNC(=O)Nc1ccc2c(c1)OCO2 1117931 BFMQMSLGWCIUCN-UHFFFAOYSA-N 389.411 3.478 50 50 GGGA N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1ccc(Br)cc1 710717 QJKIEFLJVCUJJA-VIFPVBQESA-N 385.143 3.409 50 50 GGGA CCOc1ccc(NC(=O)CCC(=O)NN=C(C)c2ccc([N+](=O)[O-])cc2)cc1 252430800 KSVLLAVAEXXICI-UHFFFAOYSA-N 398.419 3.253 50 50 GGGA C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=S)NCc1ccco1 2852419 TZOGYMNRZURZFB-SECBINFHSA-N 388.276 3.049 50 50 GGGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(Br)s2)n[nH]1 9271546 USWQQGCTFUJTCB-CAOOACKPSA-N 391.250 3.370 50 50 GGGA COc1cc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(F)cc2)cc(OC)c1OC 4927982 RTWBDSXTBCAXDZ-FOKLQQMPSA-N 398.394 3.006 50 50 GGGA Cc1cc(Br)cc2c1NC(=O)/C2=N\NC(=O)c1ccccc1Cl 5612589 DBTJYHNCLHTHCL-UHFFFAOYSA-N 392.640 3.497 50 50 GGGA N#CC1=C(N)Oc2[nH]nc(-c3ccc(Br)cc3)c2[C@@H]1c1cccnc1 5593712 LZZWYMFFLSNYGY-CQSZACIVSA-N 394.232 3.452 50 50 GGGA COC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N 2194048 IJJUMPNGDKYGMG-UHFFFAOYSA-N 376.284 3.119 50 50 GGGA CC(C)(C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NC(=O)CCl)C1)c1ccccc1 1875384207 MDOYVVHFHDPUJC-KGLIPLIRSA-N 390.833 3.099 50 50 GGGA Cc1cc(C(=O)NNC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c2ccccc2n1 772631951 UAKRETAXWWFKNM-JRGCBEDISA-N 386.455 3.216 50 50 GGGA COc1cccc([C@@H]2C(C#N)=C(N)N3C(=O)c4ccccc4SC3=C2C#N)c1 4751273 NMXUWQOXRLIVSV-GOSISDBHSA-N 386.436 3.470 50 50 GGGA COC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 17077675 UDWQVZXSKBDHGJ-GIJQJNRQSA-N 380.198 3.374 50 50 GGGA COc1cccc(C(=O)NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1 1422267 QPXIXYVCSIARJW-UHFFFAOYSA-N 388.733 3.229 50 50 GGGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 2552890 SAKVSJFBPLHTQJ-LSHDLFTRSA-N 394.258 3.272 50 50 GGGA O=C(CCl)NC[C@H]1CCCC[C@H]1NC(=O)c1ccn(C2CCCCC2)n1 1875383671 BUZBMWKYGPUHGA-GDBMZVCRSA-N 380.920 3.032 50 50 GGGA Cc1ccc(C(C)C)c(OCC(=O)NNC(=S)NCCc2ccccc2)c1 2858466 HQFWJFAKPIDZFU-UHFFFAOYSA-N 385.533 3.235 50 50 GGGA O=C(Oc1ccc(/C=N/NC(=O)c2cnccn2)cc1)c1ccc(Cl)cc1 5893851 IMFFWCKOLLRRQW-FOKLQQMPSA-N 380.791 3.113 50 50 GGGA COc1ccc(C(=O)NN/C=C/C(=O)c2ccc(Br)cc2)cc1 2893274 GQFUZMXQJJLCGE-ZHACJKMWSA-N 375.222 3.089 50 50 GGGA Cc1nc2ccc(C(=O)N[C@H]3C[C@H](NC(=O)CCl)C34CCC4)cc2s1 1875383932 HKAFHUYZULGIRA-GJZGRUSLSA-N 377.897 3.001 50 50 GGGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 2769575 SIEZEBMXTAQTEC-KCJUWKMLSA-N 394.560 3.006 50 50 GGGA CN1CCN(c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 16189178 VGVXBBHJHIIEEY-VBKFSLOCSA-N 388.431 3.287 50 50 GGGA COc1ccc2c(c1OC)C1=CC(=O)[C@H](Br)C[C@@]13CCN(C)[C@H]3C2 4565710 JQOULQFBEKJTJO-AZOIQLNYSA-N 392.293 3.070 50 50 GGGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(O)cc1oc(=O)cc(C)c21 22590825 GRXPWFXJJNSDEH-GOSISDBHSA-N 376.368 3.034 50 50 GGGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1ccc(F)cc1)S(=O)(=O)CC2 1429887 YWJJUSSXWRJFBZ-GOSISDBHSA-N 399.422 3.293 50 50 GGGA CCN(CC)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 2141240 FPOYOFBUQCFAPR-PXLXIMEGSA-N 381.480 3.390 50 50 GGGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[nH]n1 868104 VOVYNDLWMGPQSC-UDWIEESQSA-N 379.376 3.148 50 50 GGGA c1ccc(N2CCO[Si]3(OCC2)Oc2ccccc2-c2ccccc23)cc1 829069285 UBCSVOULGLYGNC-UHFFFAOYSA-N 375.500 3.445 50 50 GGGA CC(C)Oc1ccc(C(=O)N2CCC[C@]3(CCN(C(=O)CCl)C3)C2)cc1 1875384503 RCANCRGRVZZUKU-HXUWFJFHSA-N 378.900 3.167 50 50 GGGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2C)cc1 19912249 DDRXPCATBFODOO-LPYMAVHISA-N 396.472 3.131 50 50 GGGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@]12C(=O)Nc1ccccc12 3682890 PSMGWPGTLKFOQY-LFVRLGFBSA-N 383.407 3.001 50 50 GGGA O[C@H](CCl)COc1ccc(Cc2ccc(OC[C@H](O)CCl)cc2)cc1 2386878 VQXSOBIULOLCHO-IAGOWNOFSA-N 385.287 3.234 50 50 GGGA in-vitro Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239203461 SKLGBYSSACJLKX-JOJVEKOVSA-N 384.657 3.158 50 50 GGGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)ccc3OC)[nH]n2)cc1 9174666 KXNXRIANSVMBEL-LPYMAVHISA-N 394.431 3.257 50 50 GGGA O=C(Cl)c1cc(I)ccc1I 25501780 HFTLDTOPQGFMBS-UHFFFAOYSA-N 392.361 3.275 50 50 GGGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1OC 1232484 KFYXKYQYEBICFR-KRWDZBQOSA-N 399.403 3.063 50 50 GGGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1994724 GWQGGQDICGYITN-VXLYETTFSA-N 380.316 3.126 50 50 GGGA O=C(Nc1cccc2ccccc12)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239309239 HIVUJUYHDXHLEM-SPGVSREJSA-N 386.245 3.349 50 50 GGGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 8895116 WBYOVVGJJQXFRA-WSDLNYQXSA-N 394.431 3.175 50 50 GGGA N#CC1=C(N)OC(c2ccccc2)=C(n2cnc([N+](=O)[O-])n2)[C@H]1c1ccccc1 4199582 QXMHKHIIJZCVBR-INIZCTEOSA-N 386.371 3.020 50 50 GGGA N#C/C(=C/c1ccc(COc2ccc(C#N)cc2)o1)C(=O)NCc1cccnc1 17078423 MNWADTGOYCCOBH-ZDLGFXPLSA-N 384.395 3.349 50 50 GGGA CCCCOc1cccc(C(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 4998994 BYYWITWXBIQTRM-UHFFFAOYSA-N 388.449 3.405 50 50 GGGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccnc3)cc2)cc1 3075189 ALIYHBPFKUXLDR-YDZHTSKRSA-N 375.384 3.073 50 50 GGGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Br)cc1 3668261 XKUSDJUFRAOUJH-OAHLLOKOSA-N 375.222 3.260 50 50 GGGA CC(C)(C)c1n[nH]c2c1[C@@H](c1c[nH]nc1-c1ccc(F)cc1)C(C#N)=C(N)O2 18090357 BNAHZCPXIONMIX-CQSZACIVSA-N 378.411 3.455 50 50 GGGA Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)[C@@H](C)Cl)c2ccccc2)c(C)c1 1875364140 FFJIYIABIHQUDG-WBVHZDCISA-N 394.924 3.067 50 50 GGGA CCNC(=S)NNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12 8684290 FZCYZDLNSMLJEL-UHFFFAOYSA-N 380.473 3.039 50 50 GGGA COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)O)cc2)cc1 1875363486 DMZWBYXTJJDIDX-HXPPYDANSA-N 394.427 3.331 50 50 GGGA COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(OC)cc1OC 4751334 MUMGIGDMDJJJBX-IBGZPJMESA-N 380.400 3.458 50 50 GGGA Cc1cc2nc(SCC(=O)NNC(=S)Nc3ccccc3)[nH]c2cc1C 3098841 LSGQWKGASVRHRW-UHFFFAOYSA-N 385.518 3.290 50 50 GGGA O=C(CCl)NC1CC2(CCCCN2C(=O)[C@@H]2Cc3c(Cl)cccc32)C1 1875383535 YBEODCMJRPWAKK-WXYZLBAPSA-N 381.303 3.248 50 50 GGGA Cc1ccc2c(c1Br)/C(=N/NC(=O)CCc1ccccc1)C(=O)N2 17838129 PWNCWZXNQGLSNC-UHFFFAOYSA-N 386.249 3.163 50 50 GGGA COc1cccc(OCC(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)c1 2851435 PHUGPTPWJYGJOL-UHFFFAOYSA-N 399.394 3.111 50 50 GGGA COC(=O)c1c(NC(=S)NNC(=O)CC2CCCCC2)sc2c1CCC2 6735059 PTIJJBGUNMUUOH-UHFFFAOYSA-N 395.550 3.311 50 50 GGGA N#Cc1cccc(OCCCCC(=O)NCCSSCCC(=O)O)c1 1875388997 XVJQPZKFCYDGNP-UHFFFAOYSA-N 382.507 3.080 50 50 GGGA O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](Br)[C@@H](O)C(Cl)(Cl)Cl 22017085 GMOAHZMYGDZPRU-VXNVDRBHSA-N 391.432 3.272 50 50 GGGA O=C(N/N=C/c1coc2ccccc2c1=O)c1cc(Br)ccc1O 15934454 BNRZDGMUDQYMFG-UFWORHAWSA-N 387.189 3.025 50 50 GGGA O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C/C=Cc1ccccc1 1857524797 AADXQLPRJCPHLT-YRTFOBHDSA-N 396.922 3.273 50 50 GGGA Cc1noc(C)c1C(C)(C)C(=O)NCC1(NC(=O)CCl)CCCCCC1 1875383918 HGPSVQCKFVSNIS-UHFFFAOYSA-N 383.920 3.133 50 50 GGGA Cc1cc(Cl)ccc1OCCCC(=O)NNC(=S)NCc1ccco1 2854634 DXNXKXSVAGVJAC-UHFFFAOYSA-N 381.885 3.096 50 50 GGGA COc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)O)c3ccccc23)cc1 4959606 WWKBPLNRUXZFNB-UVTDQMKNSA-N 375.384 3.280 50 50 GGGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3cc(OC)ccc3OC)[nH]n2)c1 946246 WSNZKPVTGSHYRJ-LPYMAVHISA-N 394.431 3.257 50 50 GGGA COc1ccc2ccccc2c1[C@H]1[C@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 4311770 FKAMGRVUADMLIM-SIKLNZKXSA-N 395.466 3.204 50 50 GGGA O=C(CCl)N[C@@H]1C[C@H](NC(=O)c2ccc(C(F)(F)F)s2)C12CCC2 1875383930 HJPMWMPEPUIFJV-ZJUUUORDSA-N 380.819 3.163 50 50 GGGA Cc1ccsc1/C=C(/C#N)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 33247769 RCKQARWJEOWTJP-PTNGSMBKSA-N 378.457 3.400 50 50 GGGA O=C(Cc1ccc(Br)cc1)NNC(=O)Nc1ccc(Cl)cc1 676110 HDYJWJIHABVSLF-UHFFFAOYSA-N 382.645 3.498 50 50 GGGA CO[C@@]1(c2cccc(OP(=O)(O)O)c2)OOC12C1CC3CC(C1)CC2C3 2020541 XYIPYISRNJUPBA-DMEYJBINSA-N 382.349 3.114 50 50 GGGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccc(Cl)cc4)[C@H]3[C@H]1CC2 227195415 VQFVQSKBUXDLQC-UTRMSSBJSA-N 375.863 3.226 50 50 GGGA O=C(CCl)NC[C@H](NC(=O)c1nocc1-c1ccccc1)C1CCCCC1 1875384871 XWUXDCNQVJQTNV-KRWDZBQOSA-N 389.883 3.375 50 50 GGGA Cc1nn(C)cc1/C=C1\CCCC2=C1OC(N)=C(C#N)[C@@H]2c1cn(C)nc1C 2785329 JXFPMXSUGRXYOR-XOVNIXPASA-N 376.464 3.100 50 50 GGGA O=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1conc1-c1ccccc1 1875383427 TXVYPTPRZVJLDY-YLJYHZDGSA-N 395.846 3.092 50 50 GGGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc2c(c1)OCO2 717994 YZLYTWGSCOKGFJ-BUXKBTBVSA-N 376.368 3.217 50 50 GGGA CCCc1n[nH]c2c1[C@@H](c1cc(Br)ccc1O)C(C#N)=C(N)O2 1108463 HBNJRGWWEPSKJW-ZDUSSCGKSA-N 375.226 3.048 50 50 GGGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)Cc2ccc3c(c2)CCC3)cc1 1875383588 ACHKPJHYCILUPD-HNNXBMFYSA-N 384.907 3.450 50 50 GGGA COc1cc(C(=O)N/N=C/c2cccc(Br)c2)cc(OC)c1OC 1233695 MGAYVFJCUBQKGN-VXLYETTFSA-N 393.237 3.239 50 50 GGGA Cc1nnsc1C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4210613 GMGNIARAUNJMJD-WOQXGXMJSA-N 392.440 3.229 50 50 GGGA COC(=O)[C@]1(C)C[C@H](C(=O)OC(C)(C)C)[C@@H](c2ccccc2)N1C(=O)CCl 526056115 XIDNSAPSRWFZEE-NBQZKYEYSA-N 395.883 3.088 50 50 GGGA COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1csc2ccccc12 5041701 RWHILECYYKDGKV-UHFFFAOYSA-N 386.389 3.285 50 50 GGGA O=C(CCl)NC1(CNC(=O)c2ccc3ncsc3c2)CCCCCC1 1875384572 UBJSREYVTSTINM-UHFFFAOYSA-N 379.913 3.474 50 50 GGGA COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)cc(Br)c1O 32606251 RFGGVNLKDUVCHI-UKWGHVSLSA-N 392.253 3.034 50 50 GGGA COc1cc(OC)c(/C=N/NC(=O)CNc2ccccc2)cc1Br 5393847 QMZYDXQKVBUYFG-KEBDBYFISA-N 392.253 3.029 50 50 GGGA CCCCOc1cccc(C(=O)NNC(=O)Nc2ccc(OC)c(OC)c2)c1 5061134 OHTINKVROYDCQT-UHFFFAOYSA-N 387.436 3.349 50 50 GGGA COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1cc(OC)c(O)c(OC)c1 4751340 PSAPDXIKPNGSSO-SFHVURJKSA-N 396.399 3.164 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@H]2C1 4473397 ICBCQVWSJXHQPD-OALUTQOASA-N 377.879 3.475 50 50 GGGA O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)[C@@H]1C[C@@]12CCc1ccccc12 748341739 YXJIGAPWEUYIOW-MHECFPHRSA-N 397.482 3.375 50 50 GGGA COc1ccccc1/C=N/NC(=O)c1cccc(I)c1 1216232 DVTXPUDITHDSMA-LICLKQGHSA-N 380.185 3.064 50 50 GGGA CCOc1cc(C(=O)N/N=C/c2cn(CC)nc2C)cc(OCC)c1OCC 667317 CSWZGAHLPDZNMF-CIAFOILYSA-N 388.468 3.171 50 50 GGGA COc1ccc(N2C(N)=C(C#N)[C@H](c3cccs3)C3=C2CCS3(=O)=O)cc1 4623351 OWAGGDAKMCHDOP-QGZVFWFLSA-N 399.497 3.084 50 50 GGGA CC1=C(C#N)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(CC(C)(C)CC2=O)N1 19805623 LVFDZRKZRNDBJE-SFHVURJKSA-N 381.388 3.451 50 50 GGGA COc1ccccc1-c1nc(C(=O)NCCSSCCC(=O)O)cs1 1875388759 PHCMBYVEFZSUIB-UHFFFAOYSA-N 398.531 3.405 50 50 GGGA CCc1cccc2c1NC(=O)[C@@]21C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 1124484 NXCXWJFNOAYNAY-HSZRJFAPSA-N 397.438 3.068 50 50 GGGA CC1(C(=O)NCc2ccc(CNC(=O)CCl)cc2)C[C@@H]2CC[C@H](C1)S2 1875383867 GCZAJYITBQCWTL-MCPYQZEQSA-N 380.941 3.222 50 50 GGGA COc1ccc2ccccc2c1[C@H]1[C@@H]2CN(C)CC=C2C(C#N)=C(N)C1(C#N)C#N 20000233 FKAMGRVUADMLIM-DENIHFKCSA-N 395.466 3.204 50 50 GGGA N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)NCc1ccc2c(c1)OCO2 6829246 VYAAIXGDWDTEQM-YIXHJXPBSA-N 384.775 3.021 50 50 GGGA CCOC(O)=C1C=CC(=N/C=C(\C#N)S(=O)(=O)c2ccc(OC)cc2)C=C1 334158042 KEJZSOVAHQKIDN-RWOWWYGHSA-N 386.429 3.207 50 50 GGGA O=C(O)[C@H]1c2ccccc2C(=O)N(CCCCl)[C@@H]1c1ccc2c(c1)OCO2 2585594 CZNHXLFELZUPCZ-ZWKOTPCHSA-N 387.819 3.410 50 50 GGGA Cc1scc(C(=O)NNC(=S)NC[C@@H]2CCCO2)c1-c1ccccc1 13554676 DQWDMCWMDQSIFY-AWEZNQCLSA-N 375.519 3.011 50 50 GGGA CCOc1ccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc1 6155606 YIRFEOSABRFUCZ-ZVHZXABRSA-N 375.428 3.119 50 50 GGGA O=C(N/N=C/c1ccccn1)/C(=C\c1cccs1)NC(=O)c1ccccc1 2942408 UQIIYYKZDSTHQX-NIUVQHNQSA-N 376.441 3.064 50 50 GGGA Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cccc(Br)c1 2892284 QHSKHIHXZWUJHE-DJKKODMXSA-N 394.656 3.500 50 50 GGGA Cc1ccc2c(c1)/C(=N/NC(=O)COc1cc(C(C)C)ccc1C)C(=O)N2C 5647780 VHCYYYNIZZIEOJ-FLFQWRMESA-N 379.460 3.303 50 50 GGGA COc1ccc(-c2nc(CN3CCN(C(=O)[C@H](C)Cl)CC3)cs2)cc1 1875364728 RSQGUDREMRRPNX-ZDUSSCGKSA-N 379.913 3.090 50 50 GGGA COc1ccc(C[C@@H]2OC[C@H]3OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]3O2)cc1 169834242 WOKDMNFFZGRQJZ-BRSBDYLESA-N 394.540 3.295 50 50 GGGA COc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1OC 5296867 WJIOQAIVGWMTLU-YDZHTSKRSA-N 390.443 3.347 50 50 GGGA O=C(Cc1ccccc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 832760 VNPQRZXQZXJSNF-LFVJCYFKSA-N 387.439 3.397 50 50 GGGA O=C(COc1ccccc1Cl)N/N=C/c1cc(Br)ccc1O 2571752 SCLHHDQFZSVBJJ-QGMBQPNBSA-N 383.629 3.337 50 50 GGGA N#C/C(=C\c1ccccc1OCCOc1ccc(Br)cc1)C(N)=O 2961714 SOUAICGQJMBYDX-SDNWHVSQSA-N 387.233 3.299 50 50 GGGA Cc1ccc(C)c(C(=O)N[C@H]2C[C@@](CNC(=O)CCl)(c3ccccc3)C2)c1 1875383337 PDSGHOJFOTYWER-CXGRPWHSSA-N 384.907 3.489 50 50 GGGA COc1ccc(Cl)c(NNC(=O)COc2ccc3oc(=O)cc(C)c3c2)c1 888093462 TUSIZOVRKOJODP-UHFFFAOYSA-N 388.807 3.286 50 50 GGGA Cc1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1 1228156 BCFRBNVLRVBOBA-SRZZPIQSSA-N 379.372 3.291 50 50 GGGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccccc1O 4210919 PQWDWDPEDDTNKR-ZVBGSRNCSA-N 387.848 3.140 50 50 GGGA Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)NCc2ccccc2)=C1C#N 2696753 GIAXRDCCSHGBLW-SFHVURJKSA-N 391.496 3.383 50 50 GGGA Cc1ccc2c(c1)C[C@H](C(=O)N(C)CC[C@H](NC(=O)CCl)C(C)C)S2 1875383943 HNUGPUVCXZYGFN-DOTOQJQBSA-N 382.957 3.240 50 50 GGGA CCOC(=O)[C@@H]1C(O)=NC(SCC)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 875486 TWRACQURKHMAGE-KBPBESRZSA-N 375.406 3.316 50 50 GGGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 1211244 SSRAEOPLBTYNEZ-WVISFHDSSA-N 376.243 3.497 50 50 GGGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@@H]2C1 33928156 ILIQYWQMSHRTHR-MJGOQNOKSA-N 377.879 3.474 50 50 GGGA Cc1c(Cl)cccc1NC(=O)NNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 17080286 MXYIXGAXOQTFDR-NSHDSACASA-N 392.799 3.177 50 50 GGGA COC(=O)[C@]1(C)C[C@H](C(=O)OC(C)(C)C)[C@H](c2ccccc2)N1C(=O)CCl 526056116 XIDNSAPSRWFZEE-UVFQYZLESA-N 395.883 3.088 50 50 GGGA O=C(O)CCSSCCNC(=O)[C@]1(c2ccccc2)CC1(Cl)Cl 1875388767 POHPLZHFUQVPSZ-CQSZACIVSA-N 394.345 3.474 50 50 GGGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Br 5489276 QFBWVCXXGUQBNG-AWEZNQCLSA-N 375.226 3.098 50 50 GGGA O=C(N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21)c1cc2ccccc2cc1O 6566478 FTVHXEWXKNRNEN-UHFFFAOYSA-N 376.328 3.189 50 50 GGGA C[C@H]1CCc2[nH]c3ccc(C(=O)NNc4nc(-c5ccncc5)no4)cc3c2C1 170831259 PWMMVFNVXMBNRS-LBPRGKRZSA-N 388.431 3.495 50 50 GGGA CC[C@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CC[C@@H]1NC(=O)CCl 1875383688 CRAJAGBEHMOHLX-ROUUACIJSA-N 376.928 3.382 50 50 GGGA Cn1c(CC(=O)N[C@@H](CNC(=O)CCl)C2CCCCC2)cc2ccccc21 1875383926 HJALEFUUXKBUMN-SFHVURJKSA-N 389.927 3.141 50 50 GGGA C/C(=N\NC(=O)Cn1cnc(-c2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1 12343163 XPJOMASKPLAIGT-LPYMAVHISA-N 381.367 3.138 50 50 GGGA O=C(Oc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1)c1cccs1 1197762 DYXHHSKGOUTSLD-KOMLCTQHSA-N 380.425 3.151 50 50 GGGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NCc1ccccc1 2388854 OZDOZUZCTZQUMQ-LLVKDONJSA-N 398.315 3.456 50 50 GGGA C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 4720953 YMEFURMVONFHLQ-WOJGMQOQSA-N 392.209 3.277 50 50 GGGA CN(C(=O)C[C@H]1CCOc2ccccc21)C1CCC(NC(=O)CCl)CC1 1875384225 MMCNOKAOBVPUMQ-QQFBHYJXSA-N 378.900 3.067 50 50 GGGA O=C(CCl)N[C@@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)s2)C12CCC2 1875383927 HJPMWMPEPUIFJV-NXEZZACHSA-N 380.819 3.163 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 13739004 ICBCQVWSJXHQPD-RTBURBONSA-N 377.879 3.475 50 50 GGGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1 627511 NXXYPLNEXMXTOJ-SFHVURJKSA-N 376.412 3.477 50 50 GGGA CCOc1cc(/C=N\NC(=O)OC)c(Br)c(Br)c1O 32632346 URLSFQLTDYFGBW-RZNTYIFUSA-N 396.035 3.006 50 50 GGGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c(O)c1 844737 QRFLRPQDSGVPPX-CIAFOILYSA-N 397.504 3.357 50 50 GGGA C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc([N+](=O)[O-])c1 5314289 FRISPOGIIQOEPD-YBFXNURJSA-N 394.347 3.047 50 50 GGGA CCOc1cccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c1O 12362618 IYDHFXSHDVYTKG-BRTCBXNNSA-N 392.411 3.234 50 50 GGGA COC(O)=C1C=CC(=N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)C=C1 334157941 ZLABCSDOIXTUQT-LJSCSFBLSA-N 376.821 3.462 50 50 GGGA CCCCc1c(C)nc(SCC(=O)N/N=C/C=C/c2ccccc2)[nH]c1=O 3130387 JESSEMLPRQEXBP-XNKIYSBXSA-N 384.505 3.328 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@@H]2C1 13479775 LSZDEVFDQUOBSR-VQIMIIECSA-N 379.414 3.100 50 50 GGGA COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 2565187 XTEGHHAVIKKRBB-AWQFTUOYSA-N 396.230 3.099 50 50 GGGA CS(=O)(=O)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 2513644 NJEWXXAIINNPGG-MHWRWJLKSA-N 381.862 3.082 50 50 GGGA CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1 1049166 XXCXUROKDVBMDC-UHFFFAOYSA-N 387.288 3.250 50 50 GGGA CCc1cc(C(=O)NNC(=S)Nc2sc(C)c(C)c2C(=O)OC)cs1 17081348 FOZMEKYEHYTNOH-UHFFFAOYSA-N 397.547 3.407 50 50 GGGA O=C(CCl)NCc1ccc(CNC(=O)[C@@H]2CSc3ccccc32)c(F)c1 1875384707 VCEOQBFGXVNZEZ-OAHLLOKOSA-N 392.883 3.186 50 50 GGGA O=C(CCl)N(Cc1ccc2c(c1)OCCO2)Cc1ncoc1C1CCC1 1875384424 OWDLSOLHZPELNR-UHFFFAOYSA-N 376.840 3.481 50 50 GGGA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C\c1cccs1 32609496 ZNQWLLVVFFJFRR-ZHZULCJRSA-N 399.497 3.094 50 50 GGGA CCN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@@H](c3ccccc3C(F)(F)F)[C@@H]2C1 169301805 RVFTYZUZLXPIGM-NEWSRXKRSA-N 397.404 3.449 50 50 GGGA O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc(Br)s2)n[nH]1 5446496 NNTOHHYGYGZDBH-CAOOACKPSA-N 391.250 3.370 50 50 GGGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc2c(c1)OCO2 4230257 FNFUPIAKCGCFHW-SRZZPIQSSA-N 394.408 3.460 50 50 GGGA Cc1ccc(/C=N/NC(=O)CNC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1753939 CYRDTKWMOYTSTE-AUEPDCJTSA-N 378.354 3.286 50 50 GGGA Cc1ccc2c(c1)C[C@@H](C(=O)N(C)CC[C@@H](NC(=O)CCl)C(C)C)S2 1875383946 HNUGPUVCXZYGFN-WBVHZDCISA-N 382.957 3.240 50 50 GGGA Cc1ccc(NC(=O)C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1Cl 2860035 IDMORKGAMSABAA-UHFFFAOYSA-N 387.867 3.346 50 50 GGGA C=CC(=O)Nc1ccc(C(=O)NN(CC(F)(F)F)C(=O)OC(C)(C)C)cc1 1875380286 KTCWDEKYBGBFFV-UHFFFAOYSA-N 387.358 3.255 50 50 GGGA Cc1cc(C(=O)NC[C@H](NC(=O)CCl)c2ccc(C(C)C)cc2)ns1 1875384784 XJTGUNIWQNTHAJ-INIZCTEOSA-N 379.913 3.401 50 50 GGGA O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(Br)c1 4993951 ZOMPLZISHUEYEQ-UHFFFAOYSA-N 377.282 3.427 50 50 GGGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@@H]2C1 5799161 ABMKNPQFZJTTJU-RTBURBONSA-N 377.879 3.474 50 50 GGGA CCN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@H](c3ccccc3C(F)(F)F)[C@H]2C1 4655512 RVFTYZUZLXPIGM-UHOSZYNNSA-N 397.404 3.449 50 50 GGGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Cn2cc(Cl)cn2)cc1 676352 QRKHTKBTDGXJJH-AWQFTUOYSA-N 383.795 3.257 50 50 GGGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc1 4742245 WYRGRNXSUQWEMI-GOSISDBHSA-N 384.391 3.392 50 50 GGGA Cc1nc(C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)cs1 1875384950 ZCNUQADVXRVRIG-MRXNPFEDSA-N 387.892 3.431 50 50 GGGA CCOc1ccccc1/C=N/NC(=O)COc1ccc(Br)cc1 4366156 BAZOIXAOIJYZBV-YBFXNURJSA-N 377.238 3.377 50 50 GGGA COc1ccccc1C(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 2859254 DHXNTUFCHVMHGA-UHFFFAOYSA-N 376.412 3.202 50 50 GGGA CCOc1cc(/C=C(/C#N)C(=O)O[C@@H](C)COC)cc(Br)c1O 2759393 NDYKOHLDPYEQCP-IUIMMGEKSA-N 384.226 3.038 50 50 GGGA COCCOc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799748658 YUTCHPHMHUAQGI-UHFFFAOYSA-N 379.338 3.359 50 50 GGGA C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1 12342854 KKVNQYWVBZCMRP-OJFQCIDVSA-N 380.404 3.219 50 50 GGGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@]12C(=O)Nc1ccccc12 3682889 PSMGWPGTLKFOQY-QKFKETGDSA-N 383.407 3.001 50 50 GGGA CCCc1cc(C(=O)N/N=C(\C)c2ccc(NS(C)(=O)=O)cc2)cs1 651714 FLZNKNKILURUFI-LDADJPATSA-N 379.507 3.226 50 50 GGGA Cc1cc(C)c(OCC(=O)N[C@H]2CC[C@H](CNC(=O)CCl)CC2)c(C)c1 1875383366 QXEBZCBINMBVKO-QAQDUYKDSA-N 380.916 3.021 50 50 GGGA O=C(CCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 2324401 SYYLKJFYVHDYTD-XHQRYOPUSA-N 391.258 3.374 50 50 GGGA Cc1cccc(C(O)(C(=O)N/N=C2\C(=O)Nc3ccccc32)c2cccc(C)c2)c1 100505798 WJJLPXGFKNQTGR-UHFFFAOYSA-N 399.450 3.012 50 50 GGGA O=C(N/N=C\c1ccc(Br)cc1)c1cncc(Br)c1 32666335 GNYHJJQLQPKPNS-FMQZQXMHSA-N 383.043 3.371 50 50 GGGA FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Br)C[C@H]1[C@@H]2Br 252430782 JWJVSPNLWDYONI-FCAWWPLPSA-N 390.947 3.369 50 50 GGGA CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O 36031935 NWQDNQOXIZHQAQ-INIZCTEOSA-N 399.403 3.150 50 50 GGGA biogenic,in-vitro C[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1202286 RUIRCLHHKKJXMY-VDCVXVNISA-N 391.225 3.308 50 50 GGGA N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(\N)Sc1ccccc1N 100007148 DVEXZJFMOKTQEZ-JYFOCSDGSA-N 380.502 3.123 50 50 GGGA aggregator,in-vitro O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 1233316 JFHSMWMMIYRYCW-LSHDLFTRSA-N 392.371 3.039 50 50 GGGA O=C(Cc1ccc(O)cc1)NNC(=O)Nc1ccc(Br)cc1Cl 2851201 CBJSDEUESBLTMF-UHFFFAOYSA-N 398.644 3.204 50 50 GGGA COc1ccc(C(=O)[C@H](Br)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 100698179 KAMZLSSJPRSTIW-CQSZACIVSA-N 378.178 3.433 50 50 GGGA COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2)sc2c1CCC2 6826135 NAIODINWNODWJS-UHFFFAOYSA-N 395.531 3.025 50 50 GGGA N#C/C(=C\c1ccc(Br)s1)C(=O)NCc1ccc2c(c1)OCO2 6829247 JRDUAHKFLNKIOV-IZZDOVSWSA-N 391.246 3.463 50 50 GGGA O=C(Cc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 2903137 HFGLZFLZGWAURH-RGVLZGJSSA-N 394.343 3.055 50 50 GGGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1 4709689 XAQBOKIAWQVXKH-QGZVFWFLSA-N 393.428 3.356 50 50 GGGA O=C(NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Br)c1 1230113 FFKKZLQQIXHYEK-UHFFFAOYSA-N 398.600 3.086 50 50 GGGA COc1sc(SC)cc1/C=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2935240 PSLDRELPEFCZCR-VIZOYTHASA-N 396.406 3.059 50 50 GGGA CCNC(=S)NNC(=O)c1cc(-c2cccc(OCC)c2)nc2ccccc12 8681014 WHJXIWCUBWBYPM-UHFFFAOYSA-N 394.500 3.429 50 50 GGGA C[C@H](NC(=O)CCl)C1CCN(C(=O)C[C@@H]2CCCc3ccccc32)CC1 1875384405 OFABTFCCUFTMGW-YJBOKZPZSA-N 376.928 3.479 50 50 GGGA COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCC3)ccc1OCc1ccccc1 4527509 GRPWWGNWNOGWCE-YDZHTSKRSA-N 390.443 3.250 50 50 GGGA O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1CNNC(=O)Nc1ccccc1 3794314 RJNDVCNWVBWHLY-YVUOLYODSA-N 387.480 3.308 50 50 GGGA in-vitro C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=S)NCc1ccccc1 5919337 OZDOZUZCTZQUMQ-NSHDSACASA-N 398.315 3.456 50 50 GGGA O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccc(Br)cc1 4100546 ONQOPCPHMPWSFR-UHFFFAOYSA-N 377.160 3.253 50 50 GGGA COC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N1 19911287 MEURWBWDWHFDFD-INIZCTEOSA-N 392.864 3.115 50 50 GGGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@H]2C1 19817907 ORJGHHRUVKINGZ-PKOBYXMFSA-N 379.414 3.099 50 50 GGGA CC(C)(CNC(=O)CCl)C1CCN(C(=O)C[C@@H]2Cc3ccccc3O2)CC1 1875384439 PEWRCDVNXMWKBU-KRWDZBQOSA-N 392.927 3.000 50 50 GGGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)ccc1O 9108915 JRJZXORJVHFLSR-QGMBQPNBSA-N 376.825 3.270 50 50 GGGA COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(C)=O 670260 MZDQCFOWGSDKNE-WSDLNYQXSA-N 378.384 3.243 50 50 GGGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 17015010 MUMPHIVIUBAFGP-SSDVNMTOSA-N 398.394 3.006 50 50 GGGA COc1cccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)c1 653361 DBNRKLFOWDFFTQ-HOTGVXAUSA-N 375.881 3.470 50 50 GGGA O=C(N/N=C/c1cc(Cl)ccc1O)C(O)(c1ccccc1)c1ccccc1 1083303 IOXVQLFYYIZMTF-OEAKJJBVSA-N 380.831 3.432 50 50 GGGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cccc(Br)c1 727863 YSNUQRLVFWOGIG-CQSZACIVSA-N 377.238 3.484 50 50 GGGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 100647414 LHTLMVVVDOSKSA-FYJGNVAPSA-N 392.456 3.007 50 50 GGGA O=C(O)[C@@H]1c2ccccc2C(=O)N(CCCCl)[C@H]1c1ccc2c(c1)OCO2 3883392 CZNHXLFELZUPCZ-MSOLQXFVSA-N 387.819 3.410 50 50 GGGA Cc1ccc2c(c1Br)C(=NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)C(=O)N2 85944016 MOAQMRZCMWOVNR-CHWSQXEVSA-N 398.260 3.334 50 50 GGGA COc1cc(OC)c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1Br 252320692 LXGXWPPMOWJVDZ-FQCRGQEMSA-N 381.270 3.353 50 50 GGGA Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)COc1ccc(C(C)C)cc1 252537135 KKGCLDSTTSJZEC-YDZHTSKRSA-N 392.459 3.127 50 50 GGGA CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(=O)c1ccccc1 1215581 PNEGAYWLFPLAMK-BUVRLJJBSA-N 389.411 3.463 50 50 GGGA CCOc1ccc(-c2cc(C(=O)NNC(=S)NC)c3ccccc3n2)cc1 6656982 WTNMTPWFNRFMGB-UHFFFAOYSA-N 380.473 3.039 50 50 GGGA CC(C)(C)c1n[nH]c2c1[C@H](c1c[nH]nc1-c1ccc(F)cc1)C(C#N)=C(N)O2 18140464 BNAHZCPXIONMIX-AWEZNQCLSA-N 378.411 3.455 50 50 GGGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)c1 4210516 IGEGBMGJUQXCQO-BHGWPJFGSA-N 394.862 3.385 50 50 GGGA O[C@@H](CCl)COc1ccc(Cc2ccc(OC[C@@H](O)CCl)cc2)cc1 4521252 VQXSOBIULOLCHO-IRXDYDNUSA-N 385.287 3.234 50 50 GGGA in-vitro CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@H]2C1 712051 ILIQYWQMSHRTHR-HKUYNNGSSA-N 377.879 3.474 50 50 GGGA O=C1O[C@H](N(CCBr)[C@@H]2OC(=O)c3ccccc32)c2ccccc21 71767124 VZIBCTPQLZCVLU-IYBDPMFKSA-N 388.217 3.422 50 50 GGGA Cc1ccc2c(c1)c1c3n2CCN(CC(=O)NN=Cc2ccco2)[C@H]3CCC1 252441220 KTMFHSFGNAIASB-FQEVSTJZSA-N 376.460 3.386 50 50 GGGA CCCCCCn1c(=O)c(C(=O)N/N=C/c2ccccn2)c(O)c2ccccc21 102264837 LSNWRPSELYDDDN-BUVRLJJBSA-N 392.459 3.446 50 50 GGGA COc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 653326 ZAVBLXWOLJZHNX-HZPDHXFCSA-N 375.881 3.470 50 50 GGGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F 2770035 JWFRUKKHWQOWFL-LDYMZIIASA-N 394.560 3.006 50 50 GGGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc(-c2cccs2)n[nH]1 5126156 TVFAVJOOWBKJBA-CAOOACKPSA-N 375.797 3.464 50 50 GGGA C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1 12342852 KKVNQYWVBZCMRP-KIDPUWIBSA-N 380.404 3.219 50 50 GGGA COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccccc2C)cc1OC 4599966 KGOWXTQNPTUERM-HZHRSRAPSA-N 383.448 3.076 50 50 GGGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 2769577 SIEZEBMXTAQTEC-KWQFWETISA-N 394.560 3.006 50 50 GGGA CCOC(=O)/C(C#N)=C/c1ccc(OC)c(COc2ccc3c(c2)OCO3)c1 2778054 AJSJBKDZGUTIHL-OVCLIPMQSA-N 381.384 3.473 50 50 GGGA O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(Br)cc2)n[nH]1 5125850 QUBVKWKSZKZEEH-VXLYETTFSA-N 385.221 3.309 50 50 GGGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)c2C)cc1 17161795 GKAPYTHODPIBFK-CIAFOILYSA-N 393.403 3.456 50 50 GGGA C/C(=N\NC(=O)c1ccco1)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 5829677 RDCASPRECUCEDC-YDZHTSKRSA-N 391.383 3.415 50 50 GGGA CCOc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)c1O 6693834 WUWYAXHPSZSOMR-WSDLNYQXSA-N 376.416 3.044 50 50 GGGA CCOc1c(OC)cccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccn3)c21 4171041 CWXWUIUGUVGCMN-INIZCTEOSA-N 389.415 3.097 50 50 GGGA CCOC(=O)c1c(NC(=S)NNC(C)=O)sc(C)c1-c1ccccc1 6401965 WEBFCMMTVYCBAQ-UHFFFAOYSA-N 377.491 3.238 50 50 GGGA Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1C)C(=O)N2C 100321820 IMRNCQJZKSZZQI-DAFNUICNSA-N 393.487 3.477 50 50 GGGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1OC 13923652 ZKNBMIZPMYQQNH-AWQFTUOYSA-N 396.230 3.099 50 50 GGGA O=C(Oc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1)c1cccs1 1197760 DYXHHSKGOUTSLD-LANLRWRYSA-N 380.425 3.151 50 50 GGGA O=C(CCn1cnc2ccccc21)NNC(=O)Nc1cccc(C(F)(F)F)c1 4809742 OVKNGHWQVDGDAD-UHFFFAOYSA-N 391.353 3.298 50 50 GGGA COc1ccc(C(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 2857860 PLNFLGQQMAWFBL-UHFFFAOYSA-N 383.326 3.189 50 50 GGGA O=C(NNC(=S)Nc1ccc(F)cc1F)c1ccc(Br)s1 2857908 RPCWVCMKBRSKRK-UHFFFAOYSA-N 392.250 3.420 50 50 GGGA O=C(CCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(O)c1 2941320 FIEYCUFIGKUASH-YBFXNURJSA-N 390.237 3.024 50 50 GGGA O=C(Cc1ccc2ccccc2c1)NNC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 130028658 XZPMOFPSDFZYJP-AKIFATBCSA-N 385.467 3.441 50 50 GGGA O=C(NCCCCCCNC(=O)NNc1ccccc1)NNc1ccccc1 4775481 OXEYVEYRYXUXMZ-UHFFFAOYSA-N 384.484 3.199 50 50 GGGA COc1ccc(-c2nc(CN3CCN(C(=O)[C@@H](C)Cl)CC3)cs2)cc1 1875364727 RSQGUDREMRRPNX-CYBMUJFWSA-N 379.913 3.090 50 50 GGGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(Br)c1 849762 ATLHAYPBVUXPRX-HNNXBMFYSA-N 393.237 3.102 50 50 GGGA COc1cc(OC)cc(C(=O)N/N=C(\C)CC(=O)NC2CCCCCCC2)c1 100316884 BDZRZNZWULFSDX-HZHRSRAPSA-N 389.496 3.429 50 50 GGGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2Br)n1 1101139 SOOGUMUYMAHVLR-CAOOACKPSA-N 379.283 3.098 50 50 GGGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3OC)[nH]n2)cc1 5297750 WBLCPNTWAJPQOP-LPYMAVHISA-N 394.431 3.257 50 50 GGGA C[C@H](Cl)C(=O)NCc1ccc(NC(=O)CCN(C)Cc2ccccc2)cc1 1875364097 IITMVLDKDRPYOB-INIZCTEOSA-N 387.911 3.391 50 50 GGGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(O)c(OC)c2)[nH]n1 868116 XXEWWCBEPAUIPP-LPYMAVHISA-N 394.431 3.344 50 50 GGGA CON(C)C(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1 169956364 UIBCWRVAGDWOGG-MRXNPFEDSA-N 396.560 3.323 50 50 GGGA CCCOc1ccccc1/C=N/NC(=O)[C@H](O)c1ccc(Br)cc1 2839134 HPLDUFSPGUPGMG-XNHPLOEXSA-N 391.265 3.422 50 50 GGGA Cc1cc(/C=C(\C#N)C(=O)NCCO)c(C)n1-c1cccc(C(F)(F)F)c1 229928022 QFVOHUQSQIIOLI-OQLLNIDSSA-N 377.366 3.128 50 50 GGGA O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1COc2ccccc2O1 1226689 UEEKFOQRCWCHOR-QVQQHXNLSA-N 393.355 3.145 50 50 GGGA O=C(NNC(=O)c1cccc(Br)c1)c1ccc(Br)cc1 1230082 XYKAZHXWBQLSBN-UHFFFAOYSA-N 398.054 3.286 50 50 GGGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 5351778 VXIXOAOJRRVVLY-DIULEBGUSA-N 391.387 3.423 50 50 GGGA O=C(Cc1cccc2ccccc12)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 246313014 JYLPSQYAXMVGLS-MDNUFGMLSA-N 385.467 3.441 50 50 GGGA O=C(O)CCSSCCNC(=O)CCc1ncc(-c2ccccc2)o1 1875388801 QPARZGZFUVGMGJ-UHFFFAOYSA-N 380.491 3.247 50 50 GGGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Br 5489277 QFBWVCXXGUQBNG-CQSZACIVSA-N 375.226 3.098 50 50 GGGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1 4593333 GPDXFMLWAJFHNE-CQSZACIVSA-N 385.401 3.360 50 50 GGGA N#Cc1ccc(NNC(=O)c2ccc(C(=O)NC3CC3)cc2)c(C(F)(F)F)c1 799747626 DLZGHAIRFHFHKH-UHFFFAOYSA-N 388.349 3.226 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3F)[C@H]2C1 803680 GXJBZBRIYWBHRG-PKOBYXMFSA-N 379.414 3.100 50 50 GGGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1OC 634301 MKHNPNQSUDSUQW-MRXNPFEDSA-N 376.368 3.028 50 50 GGGA CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2CC)ccc1O 5297195 SXAOXXGICVYPAV-CIAFOILYSA-N 398.488 3.403 50 50 GGGA Cc1nc(C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)cs1 1875384949 ZCNUQADVXRVRIG-INIZCTEOSA-N 387.892 3.431 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Br)cc2)C2=C1CCCC2=O 690815 PHMYFGQJEZNORV-INIZCTEOSA-N 387.281 3.026 50 50 GGGA COc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc(OC)c1OC 2317700 CNFKOURFKUSPLO-WSDLNYQXSA-N 379.416 3.333 50 50 GGGA COc1ccc(CC(=O)NNC(=O)Nc2cccc(Cl)c2Cl)cc1OC 1117827 LCLZGQRMWUUKKD-UHFFFAOYSA-N 398.246 3.406 50 50 GGGA CC(C)c1ccc([C@@H]2C(C#N)=C(SCC(N)=O)NC3=C2C(=O)CCC3)cc1 2343364 PNAREPRDGNVVSY-LJQANCHMSA-N 381.501 3.458 50 50 GGGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)sc2c1CCCC2 4210676 OYDALEHDYSORHX-UFFVCSGVSA-N 386.864 3.241 50 50 GGGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12 4287466 HFGBRUNMISIBPX-SRZZPIQSSA-N 396.790 3.490 50 50 GGGA Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C1\C(=O)Nc2c(C)cccc21 15018490 SDKQQKPDVARDFB-UHFFFAOYSA-N 379.460 3.452 50 50 GGGA O=C(O)CCSSCCNC(=O)c1ccc(OC(F)(F)F)cc1F 1875388973 WVUPIKGBBSAUKB-UHFFFAOYSA-N 387.376 3.310 50 50 GGGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1 1028138 JAUZJGJHLADFQZ-HMHKGCENSA-N 390.281 3.433 50 50 GGGA CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(=O)OC)cc3)[nH]n2)cc1 867916 VTHMJROVZKCWPI-LPYMAVHISA-N 376.416 3.190 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccnc2)C2=C1C[C@H](c1ccccc1)CC2=O 1010326 SQPJDZDZNBZELZ-LAUBAEHRSA-N 385.471 3.052 50 50 GGGA COc1ccc(NC(=O)NNC(=S)Nc2ccc(Cl)cc2)c(OC)c1 1117627 HXWQITVFFNSETR-UHFFFAOYSA-N 380.857 3.380 50 50 GGGA O=C(NNC(=O)c1ccccc1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 4092557 UZCBFGACDQYXDW-UHFFFAOYSA-N 383.407 3.479 50 50 GGGA O=C(Cn1ccc2ccccc21)NNC(=O)NCc1ccccc1-c1ccncc1 363185654 CYGPLWGKEOPGCG-UHFFFAOYSA-N 399.454 3.234 50 50 GGGA COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 1449840 XWOYJSJGZWLGDW-MKFNJMOCSA-N 377.238 3.375 50 50 GGGA C/C(=N/NC(=O)c1cccc(I)c1)c1ccccc1O 100004553 VVOBOCWTMHCQBQ-YVLHZVERSA-N 380.185 3.151 50 50 GGGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C1 1022467 ABMKNPQFZJTTJU-RBUKOAKNSA-N 377.879 3.474 50 50 GGGA COc1ccc(C)cc1NC(=O)NNC(=O)COc1ccc(F)cc1Cl 8370105 ZVXDSAMPBCGTHJ-UHFFFAOYSA-N 381.791 3.028 50 50 GGGA COc1cc(/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc(Br)c1O 4170207 AGNXBMZCCGMJGE-WDZFZDKYSA-N 398.216 3.464 50 50 GGGA COc1cccc(NC(=S)NNC(=O)CSCc2cccc(C)c2)c1 6631192 GMCXIQYXLYIWFI-UHFFFAOYSA-N 375.519 3.255 50 50 GGGA CC(C)[C@@H](CCN(C)C(=O)c1snc(Cl)c1Cl)NC(=O)CCl 1875384125 LQOIDBLNMZHCTJ-MRVPVSSYSA-N 386.732 3.292 50 50 GGGA C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc(-n2cnnn2)c1 5494665 RACBJIMNTPULTN-KEBDBYFISA-N 375.219 3.123 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@H]2C1 4730562 FIBCZOKUUCHZNF-PKOBYXMFSA-N 377.879 3.475 50 50 GGGA I[C@H]1[C@@H]2C[C@@H]3[C@H]4C[C@H]2[C@@H]([C@H]4I)[C@H]13 257356897 KYMLEMSCKGSBAT-FXKBPBMMSA-N 386.014 3.125 50 50 GGGA CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1 705037 ABMKNPQFZJTTJU-MOPGFXCFSA-N 377.879 3.474 50 50 GGGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Cl)s2)n[nH]1 5446490 JGXORVAUKGMVSC-CAOOACKPSA-N 375.797 3.464 50 50 GGGA CCOc1ccc([C@@H]2[C@@H](C(=O)C3CC3)N3C=C(C#N)C=C[C@@H]3C2(C#N)C#N)cc1 4728671 PTLNYAIIUWITKU-NJYVYQBISA-N 384.439 3.212 50 50 GGGA COc1ccc(C(=O)[C@@H](Br)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 100698183 KAMZLSSJPRSTIW-AWEZNQCLSA-N 378.178 3.433 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(C(F)(F)F)cc2)C2=C1CCCC2=O 1080327 LINJBQATMPPWOT-INIZCTEOSA-N 376.382 3.282 50 50 GGGA O=[N+]([O-])c1ccc([C@H](O)[C@@H](Br)[C@@H](O)C(Cl)(Cl)Cl)cc1 1228691 PQFZNXSPQIVSDU-HRDYMLBCSA-N 393.448 3.123 50 50 GGGA Cc1noc(C)c1C(=O)N[C@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875384703 UYAAGWLZDFIVHI-QGZVFWFLSA-N 385.851 3.271 50 50 GGGA COc1ccccc1/C=N/NC(=O)c1ccccc1I 4372922 JJHJQFZBICVNKY-LICLKQGHSA-N 380.185 3.064 50 50 GGGA C=CC(=O)N1CCCc2cc(C(=O)NN(C)C(=O)OCc3ccccc3)ccc21 1875371689 JFTSADBNXLYJRA-UHFFFAOYSA-N 393.443 3.065 50 50 GGGA COc1ccccc1NC(=O)NNC(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 17081236 KPGRDXDQVYQRRB-NSHDSACASA-N 397.353 3.334 50 50 GGGA COc1cc(C2(C(=O)NNc3nc(-c4ccncc4)no3)CCC2)ccc1C 732067736 JTNYBPKSGKEQHW-UHFFFAOYSA-N 379.420 3.014 50 50 GGGA CCn1c(SCC(=O)NNC(=S)Nc2ccccc2)nc2ccccc21 1193641 SJWSRVSEQCULCV-UHFFFAOYSA-N 385.518 3.166 50 50 GGGA C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(CN2CCN3C(=O)NC[C@@H]3C2)s1 253424986 NGYDNLVMNSMZPE-UONOGXRCSA-N 396.633 3.435 50 50 GGGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCC)cc2)cc1 4229942 UCVDPYGOUWZAEW-BUVRLJJBSA-N 397.475 3.144 50 50 GGGA Cc1ccc2c(c1)C[C@@H](C(=O)N(C)CC[C@H](NC(=O)CCl)C(C)C)S2 1875383945 HNUGPUVCXZYGFN-RDJZCZTQSA-N 382.957 3.240 50 50 GGGA O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(Br)s2)n[nH]1 9110432 UWFAKKVYFHOSPP-CAOOACKPSA-N 376.239 3.060 50 50 GGGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 100647408 JIDHNKBOWNTDDL-KGENOOAVSA-N 376.457 3.302 50 50 GGGA Cc1nn(C)c(C)c1/C=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 5296797 WXRCPZUUESLZSK-WYMPLXKRSA-N 398.470 3.443 50 50 GGGA O=[N+]([O-])c1ccc([C@H](O)[C@H](Br)[C@H](O)C(Cl)(Cl)Cl)cc1 4949048 PQFZNXSPQIVSDU-CIUDSAMLSA-N 393.448 3.123 50 50 GGGA CCOC(=O)c1c(NC(=O)CCc2nc(CCl)no2)sc2c1CCCC2 39315669 CAYYKCBJEYLNCS-UHFFFAOYSA-N 397.884 3.497 50 50 GGGA CCOc1cccc(-c2cc(C(=O)NNC(=S)NC)c3ccccc3n2)c1 6657236 WXNMWLYFWYPDIJ-UHFFFAOYSA-N 380.473 3.039 50 50 GGGA Cc1ccc(NC(=S)NNC(=O)c2cc(Br)ccc2O)c(C)c1 1069203 SKFHRXGMHWCEEO-UHFFFAOYSA-N 394.294 3.403 50 50 GGGA COc1ccc(/C=N/NC(=O)c2c(Br)cnn2C)c2ccccc12 696038 ACCSOEUXFNIVGH-DJKKODMXSA-N 387.237 3.108 50 50 GGGA C[C@@H]1CCCN(C(=O)c2cc(C3CCC3)on2)[C@@H]1CCCNC(=O)CCl 1875384427 OXIZFZCKHRDSTA-CZUORRHYSA-N 381.904 3.318 50 50 GGGA Cc1cccc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)c1 1429900 SOVXOBRBGIKYGH-IBGZPJMESA-N 395.459 3.462 50 50 GGGA O=C(c1ccc([N+](=O)[O-])cc1)[C@H](Br)[C@@H](O)C(Cl)(Cl)Cl 22017080 GMOAHZMYGDZPRU-IONNQARKSA-N 391.432 3.272 50 50 GGGA CCOc1ccc(/C=N/NC(=O)c2cc(-c3cc(OC)ccc3OC)n[nH]2)cc1 5297206 ZTJOVRODHDPYPQ-LPYMAVHISA-N 394.431 3.257 50 50 GGGA CC(C)(C)[Si](C)(C)OCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 241465924 NSYZEFLNHWBPDZ-SFHVURJKSA-N 393.516 3.384 50 50 GGGA C[C@H](NC(=O)CCl)[C@H]1CCCN(C(=O)c2ccccc2OC2CCC2)C1 1875384477 QINLUXPDXMEGPH-GJZGRUSLSA-N 378.900 3.214 50 50 GGGA CN(C)c1ccc(/C=N/NC(=O)c2ccccc2I)cc1 878815 YIHIZHRBYKZQIS-WOJGMQOQSA-N 393.228 3.121 50 50 GGGA O=C(CSc1nc2ccccc2s1)N/N=C/c1cc([N+](=O)[O-])ccc1O 1823570 YWIGBFIQRUMQMD-CAOOACKPSA-N 388.430 3.153 50 50 GGGA CCOC(O)=C1C=CC(=NC=C(C#N)S(=O)(=O)c2ccc(OC)cc2)C=C1 2082931216 KEJZSOVAHQKIDN-UHFFFAOYSA-N 386.429 3.207 50 50 GGGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@H]1c1cccs1)S(=O)(=O)CC2 1429904 QXZRDZMFFLFVQV-MRXNPFEDSA-N 387.461 3.215 50 50 GGGA Cc1cc(I)ccc1NCC(=O)N/N=C/c1occc1C 1070040 ALEUMOGHCRMKDS-QGMBQPNBSA-N 397.216 3.063 50 50 GGGA O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1)c1cccs1 1215398 YRPXBRUKLDUBQM-LANLRWRYSA-N 380.425 3.151 50 50 GGGA COc1cc(Br)cc(/C=N\NC(=O)CNc2ccc(C)cc2)c1O 16667627 QZBCRDUUJASXGW-UKWGHVSLSA-N 392.253 3.034 50 50 GGGA CC(C)c1nn(C)c2sc(C(=O)NNC(=O)c3cccc4ncccc34)cc12 170643294 OBSAUWFMTDLKMT-UHFFFAOYSA-N 393.472 3.381 50 50 GGGA O=C(CCl)NC1(CNC(=O)[C@H]2CCc3ccccc3C2)CCCCCC1 1875383812 FEUQYTWXTKOLBE-SFHVURJKSA-N 376.928 3.356 50 50 GGGA C=CC(=O)N1CCCc2cc(C(=O)N(C)NC(=O)OCc3ccccc3)ccc21 1875371656 IMCCEODTKVKCPP-UHFFFAOYSA-N 393.443 3.065 50 50 GGGA C/C(=N\NC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1cccs1 4721228 KMXBEPMOOAAVMK-CXUHLZMHSA-N 398.238 3.338 50 50 GGGA COc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 2735549 ZAVBLXWOLJZHNX-CVEARBPZSA-N 375.881 3.470 50 50 GGGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 245226647 HERSTKAHKKQYRA-QFNQPASFSA-N 396.241 3.339 50 50 GGGA CCOc1ccc(N[C@@H](C)C(=O)NN=C(C)c2ccc(OC)cc2OC)cc1 252428140 QZBUTBWYYQQHAD-HNNXBMFYSA-N 385.464 3.443 50 50 GGGA Cn1nc(C(F)(F)F)c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)sc21 1386702 CQGLEKPXQVWCDA-CGOBSMCZSA-N 396.350 3.146 50 50 GGGA CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)OC(C)(C)C)C1 143853897 MICNJOWZWSCGOQ-OAQYLSRUSA-N 375.513 3.181 50 50 GGGA COc1c(O)ccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1[N+](=O)[O-] 1215156 ZOLLXIKOEZVMAQ-CIAFOILYSA-N 379.372 3.155 50 50 GGGA C=CCc1cccc(/C=N/NC(=O)COc2ccc(Br)cc2)c1O 842167 JTNGFDBYOHSPBB-RGVLZGJSSA-N 389.249 3.412 50 50 GGGA CCOc1ccc(NC(=O)NNC(=O)c2ccc(OCC)c(OCC)c2)cc1 17079077 PZLULYRWEVXLBX-UHFFFAOYSA-N 387.436 3.349 50 50 GGGA COc1cc(/C=N/NC(=O)Cc2cccc3c2CCCC3)cc(OC)c1OC 43761200 QBORZSHYCXYPQP-OEAKJJBVSA-N 382.460 3.284 50 50 GGGA Cc1nnc(SCC(=O)N/N=C/c2c[nH]c3ccccc23)n1-c1ccccc1 5031527 UNHURIDXZXBTRG-WSDLNYQXSA-N 390.472 3.299 50 50 GGGA CC(=O)c1cccc(NC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1 2853171 ZWGGPQLPYBGEBS-UHFFFAOYSA-N 396.447 3.078 50 50 GGGA COc1cccc(NC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1 11561326 SRWAUCUIQLFUPI-CQSZACIVSA-N 379.416 3.469 50 50 GGGA O=C(O)[C@H]1c2ccccc2C(=O)N(CCCCl)[C@H]1c1ccc2c(c1)OCO2 3883391 CZNHXLFELZUPCZ-ROUUACIJSA-N 387.819 3.410 50 50 GGGA CCOc1cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc(Br)c1O 1148520 KFNCHTJWNOXPSD-OAHLLOKOSA-N 393.237 3.224 50 50 GGGA C[C@H]1CCCN(C(=O)c2cc(C3CCC3)on2)[C@@H]1CCCNC(=O)CCl 1875384428 OXIZFZCKHRDSTA-XJKSGUPXSA-N 381.904 3.318 50 50 GGGA COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1I 1229839 KGFOAYLNOXMTFO-GIJQJNRQSA-N 398.175 3.203 50 50 GGGA CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CO/N=C(/N)c1cccc(Cl)c1)C2 109186224 KLLMPMCBUTZLAE-SPFAQBJXSA-N 376.888 3.295 50 50 GGGA FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Br)C[C@H]1[C@H]2Br 252430783 JWJVSPNLWDYONI-KLVWXMOXSA-N 390.947 3.369 50 50 GGGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O 2900101 WSYQSXPNTNLPJP-AWQFTUOYSA-N 396.230 3.187 50 50 GGGA CCOC(=O)C1=C(N)OC(CCl)=C(C#N)[C@H]1c1ccccc1Br 694774 FWVKKSVMWYFWSP-CYBMUJFWSA-N 397.656 3.313 50 50 GGGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F 2770037 JWFRUKKHWQOWFL-GZMMTYOYSA-N 394.560 3.006 50 50 GGGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(F)c(Br)c1 752510 CDBYSQAHCFYEDN-AWEZNQCLSA-N 381.201 3.233 50 50 GGGA CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1ccccc1 1215397 KHZJWCBDCAVDAY-KEBDBYFISA-N 392.253 3.429 50 50 GGGA C/C(=N\NC(=O)c1cccnc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 17080581 WUKRLMYZEQDTAC-PXLXIMEGSA-N 394.456 3.036 50 50 GGGA CC(C)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 19834216 PLSRXIPOPSWHFF-LFVJCYFKSA-N 378.520 3.078 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccoc2)[C@H]2CN(Cc3ccccc3)CC=C12 19852033 ULQCGIOBVGQHAG-LEWJYISDSA-N 381.439 3.205 50 50 GGGA O=C(N/N=C/c1cccc(OC(=O)c2cccs2)c1)c1cc(O)cc(O)c1 13321909 OVONZHSSYBVPDS-RGVLZGJSSA-N 382.397 3.142 50 50 GGGA COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 1233681 CQJWZNRNHYBTBA-ZGXHQARYSA-N 377.238 3.375 50 50 GGGA Nc1nonc1C(=O)N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12 1189882 SBVMIBDBNHHLLE-LSFURLLWSA-N 394.822 3.072 50 50 GGGA COc1cc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc(OC)c1OC 5126072 QPFVVBPNJCHSGH-WSDLNYQXSA-N 394.431 3.175 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C1CCCC2=O 1080328 LINJBQATMPPWOT-MRXNPFEDSA-N 376.382 3.282 50 50 GGGA Cc1cc(C(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 1117755 VLIAAQFQLVHXKR-UHFFFAOYSA-N 382.298 3.389 50 50 GGGA CCOc1cc(/C=N/NC(=O)c2cncc(Br)c2)cc(Cl)c1O 1234884 FVWUSHSAQPSVTI-KPSZGOFPSA-N 398.644 3.366 50 50 GGGA CCNC(=S)NNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 6954188 SNASEASYHWMKLK-UHFFFAOYSA-N 388.276 3.294 50 50 GGGA O=C(NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(F)cc1 2853699 NOELLPOYINIMGP-UHFFFAOYSA-N 377.375 3.153 50 50 GGGA C/C(=N/NC(=O)[C@H]1COc2cc3ccccc3cc2O1)c1ccc([N+](=O)[O-])cc1 5030773 CIDARWLCALHLSS-ZWAQGKOVSA-N 391.383 3.428 50 50 GGGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)[nH]n2)cc1 5033987 GMFUWEBOUKIKRP-LPYMAVHISA-N 394.431 3.257 50 50 GGGA O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccco1 1475147 ICRAVLGHPUMORT-GIDUJCDVSA-N 388.015 3.274 50 50 GGGA Cc1nn(C)cc1/C=C1\CCCC2=C1OC(N)=C(C#N)[C@H]2c1cn(C)nc1C 2785327 JXFPMXSUGRXYOR-MOXPCZPISA-N 376.464 3.100 50 50 GGGA COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCC(N)=O 853951 FSGYFZPPYWWCLG-RIYZIHGNSA-N 399.834 3.067 50 50 GGGA O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(F)cc1 4210419 RSFOYNFYNBHQJV-ZVHZXABRSA-N 391.402 3.494 50 50 GGGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc(OC)c1OC 16994868 RXLPFNOUBNTNMB-WSDLNYQXSA-N 394.431 3.175 50 50 GGGA CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(O)c1 2751802 WHTNCLDGCMMHET-LFVJCYFKSA-N 390.439 3.177 50 50 GGGA Cc1ccc(NC(=S)NNC(=O)Cn2nc(C(F)F)cc2C(F)F)cc1 8685072 ZWPRHKBGKFFASF-UHFFFAOYSA-N 389.378 3.085 50 50 GGGA O=C(NNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc2nc[nH]c2c1 44018892 VSMJKPUKWNIUBK-UHFFFAOYSA-N 380.389 3.352 50 50 GGGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccc(Cl)c4)[C@@H]3[C@H]1CC2 253390194 SRXGHYFYLFKBSY-OAOYMFHYSA-N 375.863 3.226 50 50 GGGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OCC)c3O)[nH]n2)cc1 32513838 DEHJNQWCCMEPCW-LPYMAVHISA-N 394.431 3.344 50 50 GGGA COc1cc(/C=N/NC(=O)COc2ccc3c(c2)CCCC3)cc(OC)c1OC 43761342 QIXLCOIOIAAXFC-YDZHTSKRSA-N 398.459 3.120 50 50 GGGA O=C(CCl)NC[C@H](NC(=O)C[C@@H]1CCCCO1)c1ccc2ccccc2c1 1875383664 BSNVITWIGAIIAK-OALUTQOASA-N 388.895 3.311 50 50 GGGA COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)O)cc2)cc1 1875363487 DMZWBYXTJJDIDX-TYAXTIJKSA-N 394.427 3.331 50 50 GGGA COc1ccc(C)cc1NC(=O)NNC(=O)COc1ccc(F)c(Cl)c1 8370093 CYDOLUABPNLAOX-UHFFFAOYSA-N 381.791 3.028 50 50 GGGA O=C(NNC(=O)[C@@H]1Cc2ccccc2O1)N[C@@H]1C[C@H]1c1cccc2ccccc12 797577069 QKKXLLROLCZQBC-ZVDOUQERSA-N 387.439 3.030 50 50 GGGA C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2 5041338 PDBPZFUTEWULKD-NSDYXAQKSA-N 397.519 3.242 50 50 GGGA C[C@H]1CCc2c(C(=O)N/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)csc2C1 17079071 RZCXTUPZFACIOC-BCOYQZACSA-N 387.417 3.274 50 50 GGGA CN(C(=O)[C@@H]1CC[C@H](c2ccccc2)O1)C1CCC(NC(=O)CCl)CC1 1875383071 FNVPDAJJUOKIMS-HIEASXQVSA-N 378.900 3.031 50 50 GGGA COc1ccc(Cl)cc1C(=O)NNC(=S)NCc1ccc(Cl)cc1 2855452 ZZJQVWHKWGJCER-UHFFFAOYSA-N 384.288 3.311 50 50 GGGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])[nH]n2)cc1 5297741 OSFQYPGHWCORKR-UDWIEESQSA-N 379.376 3.148 50 50 GGGA COc1cc(/C=N/NC(C)=O)ccc1OC(=O)c1cccc(Br)c1 2521678 PEXKQFJPIDICML-VXLYETTFSA-N 391.221 3.147 50 50 GGGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cc(O)cc(O)c1 13321919 JLLXIDNAFILLRT-RGVLZGJSSA-N 382.397 3.142 50 50 GGGA C[C@@H]1CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 4708626 PCUBSJCNPGMETO-BSEYFRJRSA-N 396.450 3.344 50 50 GGGA COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(OC)cc1OC 4751333 MUMGIGDMDJJJBX-LJQANCHMSA-N 380.400 3.458 50 50 GGGA CCOc1ccccc1[C@@H]1C(C#N)=C(N)N(N(C)C)C2=C1C(=O)CC(C)(C)C2 1080064 CKTOAKQCDLKEPV-LJQANCHMSA-N 380.492 3.298 50 50 GGGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 1469007 NJQZXFVQNVUIRQ-LSHDLFTRSA-N 387.399 3.359 50 50 GGGA C#CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21 2838564 TXLCBQLZWRLHPK-GOSISDBHSA-N 397.228 3.385 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc21 945997 XASUERFPDJNNTQ-YBFXNURJSA-N 383.433 3.207 50 50 GGGA O=[n+]1c2c(n(O)c3ccccc31)[C@@H](Br)CC[C@@H]2Br 196415525 IMNHCNSQYQTMLX-YUMQZZPRSA-N 375.040 3.459 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccoc2)[C@@H]2CN(Cc3ccccc3)CC=C12 5409275 ULQCGIOBVGQHAG-NHCUHLMSSA-N 381.439 3.205 50 50 GGGA COc1cccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)c1O 1207597 SEQXRSLCPIIPLZ-SRZZPIQSSA-N 384.823 3.063 50 50 GGGA COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 1233679 CQJWZNRNHYBTBA-MKFNJMOCSA-N 377.238 3.375 50 50 GGGA COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OC(C)=O 1234403 SZRGEHGYRWUEKB-VXLYETTFSA-N 391.221 3.147 50 50 GGGA C[C@@H](Cl)C(=O)NCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1 1875364895 XKNQNEDYIGBWFJ-CYBMUJFWSA-N 399.894 3.126 50 50 GGGA Cc1cc(-c2n[nH]c3c2[C@@]2(C(=O)Nc4ccccc42)C(C#N)=C(N)O3)c(C)s1 5130382 NSPALQARYPMKDZ-FQEVSTJZSA-N 389.440 3.080 50 50 GGGA CN(C)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] 4116244 HODMAEKTECJFAU-KRWDZBQOSA-N 382.420 3.112 50 50 GGGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 1429633 RPJAKTRRASYWIY-OAHLLOKOSA-N 384.413 3.180 50 50 GGGA Cc1sc2ncnc(N3CCC(C(=O)NCC(Cl)Cl)CC3)c2c1C 408517914 PBZOKDRRESWUQE-UHFFFAOYSA-N 387.336 3.444 50 50 GGGA O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(Br)o1 1229807 LCZPELWZGAUFTQ-LZYBPNLTSA-N 386.043 3.497 50 50 GGGA Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)o1 5490434 ZHIOXIOTCIRBML-KRWDZBQOSA-N 377.360 3.413 50 50 GGGA COc1ccc(NC(=S)NNC(=O)Cc2c(F)cccc2Cl)cc1OC 2854668 LGPZAVHXJJWKEH-UHFFFAOYSA-N 397.859 3.057 50 50 GGGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4282106 MLZLBYHWUDXVEH-LJGKHRNASA-N 392.411 3.221 50 50 GGGA C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(CN2CCN3C(=O)NC[C@H]3C2)s1 253424982 NGYDNLVMNSMZPE-KBPBESRZSA-N 396.633 3.435 50 50 GGGA Cc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c1 1192027 WRVGYXMXJQRLMY-HZHRSRAPSA-N 379.460 3.150 50 50 GGGA O=C(CC(c1ccccc1)c1ccccc1)NNC(=S)NCc1ccco1 2857379 CDHRXNADQDNGEJ-UHFFFAOYSA-N 379.485 3.497 50 50 GGGA O=C(Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1)c1ccccc1 43190676 UADPTVYZRRRUIY-LPYMAVHISA-N 376.368 3.081 50 50 GGGA CN1C(=O)/C(=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)c2ccccc21 5648841 GPTFSFWIASMTBS-LKUDQCMESA-N 398.422 3.049 50 50 GGGA O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CNNC(=O)Nc1ccccc1 13815393 RJNDVCNWVBWHLY-GJQJTTGLSA-N 387.480 3.308 50 50 GGGA in-vitro Cc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)OC(C)(C)C)cc1 225485988 JAOBMMPAGHKYCE-CQSZACIVSA-N 379.457 3.117 50 50 GGGA CCOc1ccccc1/C=N/NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 946136 LFOCXQOBWOXZNS-UDWIEESQSA-N 379.376 3.148 50 50 GGGA C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)c1cnccn1 100629534 TTXNXCLRUOIMAI-PGGKNCGUSA-N 399.760 3.283 50 50 GGGA O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4ccccc4N1[C@@H]25)C/C3=C\CBr 105192732 PYCYURJYTDMNSJ-GCQKQZQVSA-N 397.316 3.399 50 50 GGGA O=C1CC2[C@H](CBr)C(C[C@@H]1Br)[C@H]2CBr 257358952 XMOBERPAHOKXGA-PGDQVTRHSA-N 388.925 3.381 50 50 GGGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1cccs1)S(=O)(=O)CC2 1429905 QXZRDZMFFLFVQV-INIZCTEOSA-N 387.461 3.215 50 50 GGGA O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)nc1 22996712 PSBSNSJQYQXHBR-UHFFFAOYSA-N 377.244 3.194 50 50 GGGA COc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Br)cc1 4366446 YPQPCTHPNHDWKC-ZGXHQARYSA-N 377.238 3.375 50 50 GGGA Cc1ccc(NC(=S)NNC(=O)COc2cccc3c2OC(C)(C)C3)cc1 2582295 BEZAQOFXUOQBML-UHFFFAOYSA-N 385.489 3.105 50 50 GGGA CCOc1ccccc1NC(=S)NNC(=O)CSCc1ccc(F)cc1 6393904 RYFYMTQNIROJOF-UHFFFAOYSA-N 393.509 3.475 50 50 GGGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)C[C@@H]2CCCc3ccccc32)CC1 1875384404 OFABTFCCUFTMGW-QAPCUYQASA-N 376.928 3.479 50 50 GGGA COc1ccc2cc(/C=N/NC(=O)COc3ccccc3OC)c(Cl)nc2c1 1206930 RHRAUSSOEMPCFO-SSDVNMTOSA-N 399.834 3.435 50 50 GGGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)c1 9007939 WANGPOLPEGWGCP-HYARGMPZSA-N 377.448 3.305 50 50 GGGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc(OC)ccc1O 102294115 RYABCMRUYVMKEP-HYARGMPZSA-N 377.485 3.108 50 50 GGGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O 792614 AMZSOPQZZZTALL-GOSISDBHSA-N 382.416 3.071 50 50 GGGA COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)[nH]n1 5297130 NDNGQMWCLFDQSO-UDWIEESQSA-N 379.376 3.148 50 50 GGGA O=C(CCl)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl 3130772 RKUZEHLAWKPUDX-VIFPVBQESA-N 393.098 3.163 50 50 GGGA Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1 5746425 GFFOBARFWOTYGU-UHFFFAOYSA-N 398.509 3.445 50 50 GGGA COc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC 854017 ZXYPKZBTTVZZIX-WUXMJOGZSA-N 391.221 3.283 50 50 GGGA Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1C)C(=O)N2 13305661 DWXDLTCFZBTZQC-UHFFFAOYSA-N 379.460 3.452 50 50 GGGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 8838336 ISPHIFWRMAKADF-UDWIEESQSA-N 379.376 3.148 50 50 GGGA CCc1cc(CN(Cc2sncc2Br)C(=O)CCl)on1 1875383955 HQVBKQZOEABIKE-UHFFFAOYSA-N 378.679 3.224 50 50 GGGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 4287409 VGLVGEQZZUMQIR-KEBDBYFISA-N 380.231 3.481 50 50 GGGA N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 659489 VCPHGRDPRRVMML-LJQANCHMSA-N 387.399 3.295 50 50 GGGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1c(O)ccc2ccccc12 4209385 FDFFCOJMZUDJEO-FOKLQQMPSA-N 381.819 3.079 50 50 GGGA O=C(NN=c1cc[nH]c2ccccc12)c1ccc(NC(=O)c2ccccn2)cc1 1875256464 PYKQOCVIQFYPMB-UHFFFAOYSA-N 383.411 3.061 50 50 GGGA Cc1cc2c(c(=O)o1)[C@H](c1ccc(F)c(Br)c1)C(C#N)=C(N)O2 705850 OKMCFNZWJGMRTH-CYBMUJFWSA-N 377.169 3.068 50 50 GGGA COCc1cc(C)nc2sc(C(=O)N/N=C/c3cc[nH]n3)c(-n3cccc3)c12 1848444226 YMXXRJFFLCNCIW-UFFVCSGVSA-N 394.460 3.029 50 50 GGGA O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4ccccc4N1[C@H]25)C/C3=C\CBr 104103120 PYCYURJYTDMNSJ-RLXKCJEESA-N 397.316 3.399 50 50 GGGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]n2)cc1 4136026 JJCQHEZAFRAFLI-LPYMAVHISA-N 394.431 3.344 50 50 GGGA O=C(N/N=C/c1cccc2ccc(O)cc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2831745 UGIJORBZMOAQHD-VXLYETTFSA-N 380.316 3.126 50 50 GGGA COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1O 169313320 CSTFGGJEJBVLQF-KAADNQLTSA-N 381.270 3.440 50 50 GGGA Cc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@]32C(=O)Nc3ccccc32)cc1 4776934 BYKHWIPFEMAPKY-OYLFLEFRSA-N 397.434 3.310 50 50 GGGA CC(=O)[C@H](C(=O)Nc1ccc(C)cc1)[C@@H]1C(=O)c2ccccc2C(=O)[C@H]1Cl 104195215 FGKNCAPISWXPGB-BZSNNMDCSA-N 383.831 3.442 50 50 GGGA C[C@@H]1CCCN(C(=O)c2onc3ccccc23)[C@@H]1CCCNC(=O)CCl 1875383348 QBNKEFYNYGHITK-CZUORRHYSA-N 377.872 3.204 50 50 GGGA Cc1cc([C@H]2C(C#N)=C(N)N(c3ncn[nH]3)C3=C2C(=O)CC(C)(C)C3)c(C)s1 5442296 OCADSUOQHVZERO-INIZCTEOSA-N 394.504 3.424 50 50 GGGA CC(C)COc1cccc(C(=O)NNC(=S)NCc2ccc(F)cc2)c1 2857248 SRBKZNAOQILORE-UHFFFAOYSA-N 375.469 3.170 50 50 GGGA COc1ccc(OC)c(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c1 12362635 GUICHNXKTNIEMC-DZCITIIWSA-N 392.411 3.147 50 50 GGGA COc1ccc(/C=N\NC(=O)CNc2ccc(C)cc2)cc1Br 32606107 PITXXTKYRFIIEG-JMIUGGIZSA-N 376.254 3.328 50 50 GGGA O=C(CCl)NC[C@H](NC(=O)c1scnc1C(F)F)C1CCCCC1 1875384954 ZFCXDTPWCNOOLC-JTQLQIEISA-N 379.860 3.114 50 50 GGGA Cc1ccc(CCC(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)CCl)s1 1875383314 OQAFFGTZXOTBOU-VQIMIIECSA-N 376.909 3.126 50 50 GGGA N#C/C(=C\c1ccc(OCCOc2ccc(Br)cc2)cc1)C(N)=O 2961422 RYUKBUKNRJCVJI-SDNWHVSQSA-N 387.233 3.299 50 50 GGGA N#CC1=C(N)N(c2cccc([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 705425 IVJNHABVTGQSGE-IBGZPJMESA-N 387.399 3.295 50 50 GGGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 9271643 QRJVYCWIJUTLAX-UDWIEESQSA-N 379.376 3.148 50 50 GGGA CCc1c(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@H]2C(=O)O)csc1C 239439271 ZRMPTEDZFYNXCJ-MGBSGCIJSA-N 390.505 3.073 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@H]2C1 2051265 FIBCZOKUUCHZNF-HKUYNNGSSA-N 377.879 3.475 50 50 GGGA COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1ccc(Cl)cc1Cl)C(F)(F)F 2769951 VVBCDZSYTQDMBM-GZMMTYOYSA-N 394.560 3.006 50 50 GGGA C[C@@H]1CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 4708622 PCUBSJCNPGMETO-LFPIHBKWSA-N 396.450 3.344 50 50 GGGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cc(OC)ccc1OC 1426961 FZQFRSIZDIEFJD-HNNXBMFYSA-N 386.429 3.079 50 50 GGGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccccc1C(F)(F)F 4260360 LOFNQDDVUZLUQS-NUGSKGIGSA-N 383.757 3.239 50 50 GGGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)cc1OC 1430518 UTBASQSCVGYBDP-KRWDZBQOSA-N 392.436 3.497 50 50 GGGA Cc1ccc(N2C(=O)[C@@H]3SC(N)=C(C#N)[C@H](c4ccco4)[C@@H]3C2=O)cc1Cl 137968347 DEGSFFNJGRWOOP-OWCLPIDISA-N 399.859 3.324 50 50 GGGA COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(N(C)C)cc1 1198789 IJBWPPGFSQAUCA-YBFXNURJSA-N 376.254 3.288 50 50 GGGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1 5562703 MYFYELHECJJDEN-HNNXBMFYSA-N 377.429 3.315 50 50 GGGA O=C(CSCc1c(F)cccc1Cl)NNC(=S)NCc1ccco1 2853157 ZGPQDCPTKMHJON-UHFFFAOYSA-N 387.889 3.001 50 50 GGGA Cc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@]32C(=O)Nc3ccccc32)cc1 4776936 BYKHWIPFEMAPKY-MYYSRTQBSA-N 397.434 3.310 50 50 GGGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)cc1OC 1430517 UTBASQSCVGYBDP-QGZVFWFLSA-N 392.436 3.497 50 50 GGGA CCOC(=O)[C@@H]1C(O)=NC(SCC)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 875490 TWRACQURKHMAGE-KGLIPLIRSA-N 375.406 3.316 50 50 GGGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@]12C(=O)Nc1ccccc12 3682888 PSMGWPGTLKFOQY-PSLXWICFSA-N 383.407 3.001 50 50 GGGA C[C@@H](NC(=O)CCl)[C@@H]1CCCN(C(=O)c2ccccc2OC2CCC2)C1 1875384478 QINLUXPDXMEGPH-HUUCEWRRSA-N 378.900 3.214 50 50 GGGA CCN(CC)c1ccc(C(=O)NNC(=S)NCc2ccc(Cl)cc2)cc1 1118237 OHUGNTFBGZVHOL-UHFFFAOYSA-N 390.940 3.495 50 50 GGGA COc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)c(OC)c1 15934094 ASZOMZMLZOKSTE-UHFFFAOYSA-N 381.388 3.029 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccnc2)[C@@H]2CN(Cc3ccccc3)CC=C12 13479735 LTNWOHXEDMUQNL-FGZHOGPDSA-N 392.466 3.007 50 50 GGGA Cc1ccc(C(=O)CSC2=NC(N)=C(C#N)C3(CCCCC3)[C@@H]2C(N)=O)cc1 19867024 APVLAQNCXRYPCZ-QGZVFWFLSA-N 396.516 3.069 50 50 GGGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 2553020 OCBQCDYKSYJKQH-LSHDLFTRSA-N 394.258 3.272 50 50 GGGA O=C(NN=C(O)c1cccc(O)c1[N+](=O)[O-])c1ccc(COc2ccccc2)o1 328592244 YRUUIJVKRXRJMS-UHFFFAOYSA-N 397.343 3.122 50 50 GGGA N#C/C(=C\N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 1039952 ZMGMTESYTNDFMT-XDJHFCHBSA-N 387.892 3.301 50 50 GGGA O=C(Cc1c(F)cccc1Cl)NNC(=S)NCc1ccc(Cl)cc1 6828602 ARKBDZPFTOABPQ-UHFFFAOYSA-N 386.279 3.371 50 50 GGGA O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 130010979 DLTWFCDINTYTQJ-YESZJQIVSA-N 389.377 3.378 50 50 GGGA COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2C)sc(C)c1C 17081351 LHRGESUBBWJSSP-UHFFFAOYSA-N 397.547 3.461 50 50 GGGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3snnc3C)cc2)cc1 4210795 UXXVXBRDQJCGOT-RGVLZGJSSA-N 380.429 3.138 50 50 GGGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(SC)cc3)[C@H]2C1 19758361 GGBSXWZQGOBIFI-RBUKOAKNSA-N 375.501 3.154 50 50 GGGA Cc1cccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2S(=O)(=O)CC3)c1 1429901 SOVXOBRBGIKYGH-LJQANCHMSA-N 395.459 3.462 50 50 GGGA O=C1C[C@H]2[C@H](CBr)[C@@H](C[C@H]1Br)[C@@H]2CBr 257358953 XMOBERPAHOKXGA-QKCLAQEOSA-N 388.925 3.381 50 50 GGGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 1214861 ULUUONRBKYKNEE-HPAYWCODSA-N 392.209 3.275 50 50 GGGA NC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1 2530637 WDSSBKMOXUEKML-UFWORHAWSA-N 396.628 3.324 50 50 GGGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O 35327903 VWUACKZVANQTLK-KUARTLJMSA-N 379.372 3.371 50 50 GGGA CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1 13544444 VOICWFJSMQWBJD-ZSOIEALJSA-N 377.356 3.352 50 50 GGGA Cn1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)n1 2789839 XSCZVNRKDPYCIG-LJQANCHMSA-N 394.438 3.491 50 50 GGGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4c(F)cccc4Cl)[C@@H]3[C@H]1CC2 826691993 SDNICZOASPRHKD-RYPBUSNOSA-N 393.853 3.365 50 50 GGGA C[C@@H]1CCCN(C(=O)C2Cc3ccccc3C2)[C@H]1CCCNC(=O)CCl 1875383594 ALJUGQUDHSDXOQ-BEFAXECRSA-N 376.928 3.164 50 50 GGGA CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)c(F)c3)[C@H]2C1 809423 LSZDEVFDQUOBSR-QFBILLFUSA-N 379.414 3.100 50 50 GGGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C\c1cc([N+](=O)[O-])ccc1O 32650016 VWUACKZVANQTLK-MUBJSKCLSA-N 379.372 3.371 50 50 GGGA COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)n[nH]1 6780480 PFQHJNYOZHRENA-UDWIEESQSA-N 379.376 3.148 50 50 GGGA COc1cc(/C=N/NC(=O)[C@H](C)Nc2ccc(Cl)cc2)cc(OC)c1OC 1204571 XJDWZVUVZIAVAL-OVMKCGGTSA-N 391.855 3.317 50 50 GGGA C=CCc1ccc(OCC(=O)N/N=C/c2ccc(O)c(OCC)c2)c(OC)c1 2544131 PEYAWSDGMJTRLU-LPYMAVHISA-N 384.432 3.057 50 50 GGGA CC(C)(CNC(=O)CCl)C1CCN(C(=O)C[C@H]2Cc3ccccc3O2)CC1 1875384440 PEWRCDVNXMWKBU-QGZVFWFLSA-N 392.927 3.000 50 50 GGGA Cc1cccc(OCC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 989878 SAUMLHXHGJWFLP-FYJGNVAPSA-N 378.388 3.223 50 50 GGGA Cc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2[nH]nc(C)c21 5135306 GZHAVJUNKFVXSR-RKFFSXRUSA-N 389.459 3.031 50 50 GGGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC 632566 SOASAGFZRJHWKS-HXUWFJFHSA-N 388.427 3.416 50 50 GGGA Nc1nnc(CC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)s1 1753816 RILUOSOJTSIBRD-QGMBQPNBSA-N 393.881 3.211 50 50 GGGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(O)cc2oc(=O)cc(C)c32)c1 1226931 SPAJRHVLPFUSDG-GOSISDBHSA-N 376.368 3.034 50 50 GGGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 100647418 TYLNRAZNVGZMGE-KGENOOAVSA-N 376.457 3.302 50 50 GGGA C[C@H](NC(=O)CCl)C1CCN(C(=O)C[C@H]2CCCc3ccccc32)CC1 1875384402 OFABTFCCUFTMGW-MAUKXSAKSA-N 376.928 3.479 50 50 GGGA C#CC[C@]1(C(=O)NCc2ccc(CNC(=O)CCl)cc2F)CC=CCC1 1875384444 PNIIMAMXGGVEBT-FQEVSTJZSA-N 376.859 3.047 50 50 GGGA O=C(Oc1ccc(/C=N/NC(=O)c2cnccn2)cc1)c1cccc(Cl)c1 4210560 LGYRVZZUKBZSON-FOKLQQMPSA-N 380.791 3.113 50 50 GGGA COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC)c(OC)c1 1429629 VGDLXNNCMJPBSZ-HNNXBMFYSA-N 386.429 3.079 50 50 GGGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1 4623325 DWYHDFUZCZCWEA-JTQLQIEISA-N 379.367 3.018 50 50 GGGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1C(F)(F)F 4282351 CTUJGDNOGXBJOB-NUGSKGIGSA-N 383.757 3.239 50 50 GGGA N#CCC(=O)N/N=C(/C[C@@]1(O)CNc2c(Cl)ccc(Cl)c21)c1ccco1 5896561 IXFQXHTWLDNOQZ-MTEVNVADSA-N 393.230 3.024 50 50 GGGA I[C@@H]1[C@H]2C[C@H]3[C@H]1[C@H]1[C@H]2C[C@H]3[C@H]1I 257346993 KYMLEMSCKGSBAT-DJGKPDDPSA-N 386.014 3.125 50 50 GGGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc2c(c1)OCO2 717995 YZLYTWGSCOKGFJ-CWTRNNRKSA-N 376.368 3.217 50 50 GGGA COc1ccc(CC(=O)NNC(=O)Nc2cc(Cl)ccc2C)cc1OC 17077290 KCWQIMPWOOFFFU-UHFFFAOYSA-N 377.828 3.061 50 50 GGGA O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 130010770 DLTWFCDINTYTQJ-IXDOHACOSA-N 389.377 3.378 50 50 GGGA O=C(CCCOc1ccc2c(c1)CCCC2)NNc1nc(-c2ccncc2)no1 160299181 PKRBWNSERMUSAF-UHFFFAOYSA-N 393.447 3.313 50 50 GGGA CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2571841 ZXYBVXVEPWSRMG-KEBDBYFISA-N 379.247 3.148 50 50 GGGA O=C1Nc2ccccc2/C1=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 5093851 GBXJFQBCKOSPMU-UHFFFAOYSA-N 381.395 3.316 50 50 GGGA Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239203460 SKLGBYSSACJLKX-IFLCCBJRSA-N 384.657 3.158 50 50 GGGA CC(C)C[C@H](C(=O)Oc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1178232 QSIGAYLBJGAJSU-QGZVFWFLSA-N 382.372 3.211 50 50 GGGA COc1ccc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1 722554 ABWIEMNHEKFYMP-UHFFFAOYSA-N 390.439 3.054 50 50 GGGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(C(=O)OC)cc3)[nH]n2)c1 8836245 MFBGBWUCFQDFAK-LPYMAVHISA-N 392.415 3.026 50 50 GGGA O=C(NNC(=S)NC(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 6829011 GMBDMAMFOATUKT-UHFFFAOYSA-N 386.235 3.082 50 50 GGGA CCc1cccc(CC)c1NC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239174227 POETUIVMDRQDPW-LFTXJNCRSA-N 392.293 3.321 50 50 GGGA CC(=NNC(=O)[C@H](C)n1nnc2ccccc21)c1ccc(Br)cc1 244724549 MWEXXHNYYKHYPS-LBPRGKRZSA-N 386.253 3.295 50 50 GGGA Cc1cccc(C2(C(=O)NNC(=O)[C@@H]3Cc4ccccc4O3)CCCCC2)c1 748274381 SUUSULLMVRTTDH-FQEVSTJZSA-N 378.472 3.348 50 50 GGGA COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 943232 UHTNDARHGWVNCH-JLHYYAGUSA-N 381.457 3.280 50 50 GGGA CNC(=S)NNC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc12 6346083 JUWYGKUEBHVVDQ-UHFFFAOYSA-N 394.500 3.428 50 50 GGGA O=C(NNS(=O)(=O)c1cccc2c1N=S=N2)c1cccc2ccccc12 157828199 ZFQPXVQHEJCHDF-UHFFFAOYSA-N 384.442 3.190 50 50 GGGA O=C(O)CCC/C=C\C[C@H]1[C@@H](CNNC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 100307232 RJNDVCNWVBWHLY-MPZCFFCBSA-N 387.480 3.308 50 50 GGGA in-vivo O=C(N/N=C/C=C/c1cccc([N+](=O)[O-])c1)c1cncc(Br)c1 3141966 DGGNERBVJBYBMW-RZVCBAEVSA-N 375.182 3.181 50 50 GGGA N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccccc2)cs1 1190962 JXPXUSZPOJGBFB-SDNWHVSQSA-N 382.470 3.434 50 50 GGGA O=C1COc2c(cc(OCc3ccccc3)cc2C(=O)CBr)N1 91302118 BSFCOXSPKRDYSL-UHFFFAOYSA-N 376.206 3.174 50 50 GGGA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)CCC1CCCCC1)[C@@H]2C(=O)O 225586470 LHKHEXGCGNWVRO-OHDICMOHSA-N 376.497 3.188 50 50 GGGA C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NNC(=S)NCc1ccccc1 2850999 DENAIGFGOPHAIJ-NSHDSACASA-N 398.315 3.456 50 50 GGGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)c(OCC)c1 102284211 WFVMKJJSEHFVKG-HZHRSRAPSA-N 391.512 3.498 50 50 GGGA CCOC(=O)/C(C#N)=C1/N(C)c2ccccc2N1/N=C\c1ccc([N+](=O)[O-])cc1 32603791 MEIHZIKYCSGOCB-JWHYYTCISA-N 391.387 3.183 50 50 GGGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(-c2cccs2)n[nH]1 5126151 FYUCVJHCVOENON-CAOOACKPSA-N 375.797 3.464 50 50 GGGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)c1 1429245 VBBJRRUXYLEJEG-KRWDZBQOSA-N 392.436 3.497 50 50 GGGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1 4229854 IITYIQCQWPWYRX-SSDVNMTOSA-N 380.473 3.204 50 50 GGGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccc2ccccc12 5020117 WWUYRBOHPBZQER-FQEVSTJZSA-N 377.469 3.343 50 50 GGGA CCCOc1ccccc1/C=N/NC(=O)[C@@H](O)c1ccc(Br)cc1 2839136 HPLDUFSPGUPGMG-RONKMWSCSA-N 391.265 3.422 50 50 GGGA O=C(Cc1coc2ccc3ccccc3c12)NNC(=O)c1ccccc1[N+](=O)[O-] 6690968 PPZCCVBDJTXRLO-UHFFFAOYSA-N 389.367 3.498 50 50 GGGA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)CCC1CCCCC1 229926960 LHKHEXGCGNWVRO-VVWQDTPRSA-N 376.497 3.188 50 50 GGGA Cc1cc(OCC(=O)NNC(=O)c2cccc(Cl)c2)ccc1Br 1211679 BCWBWQRURVJPIJ-UHFFFAOYSA-N 397.656 3.251 50 50 GGGA CCCc1n[nH]c2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 5024284 GHACQPBZNIJMHY-ZDUSSCGKSA-N 377.217 3.482 50 50 GGGA COc1ccc(Cl)cc1C(=O)NN(C)C(=O)c1cc(Cl)ccc1OC 2584135 XXMRQJWQQMFEEV-UHFFFAOYSA-N 383.231 3.428 50 50 GGGA COc1cc(OC)c(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1Br 100309969 LXGXWPPMOWJVDZ-VWWGEYGYSA-N 381.270 3.353 50 50 GGGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC 806460 AZKVLCHKJFEYQG-MRXNPFEDSA-N 384.432 3.163 50 50 GGGA O=C(CCl)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl 3130815 WTYCEQPYDHTENK-VIFPVBQESA-N 375.108 3.024 50 50 GGGA O=C(NNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 130010558 DLTWFCDINTYTQJ-GVDBMIGSSA-N 389.377 3.378 50 50 GGGA CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O 36031932 NWQDNQOXIZHQAQ-MRXNPFEDSA-N 399.403 3.150 50 50 GGGA biogenic,in-vitro C[C@H]1CCCN(C(=O)c2cc(C3CCC3)on2)[C@H]1CCCNC(=O)CCl 1875384425 OXIZFZCKHRDSTA-BBRMVZONSA-N 381.904 3.318 50 50 GGGA O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(-c2ccccc2)n[nH]1 1196768 ZBELFQGCQHJSAN-DJKKODMXSA-N 385.767 3.108 50 50 GGGA CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(OC)c(OC)c1 2867174 PQUCBTNWUPCVMV-CQSZACIVSA-N 386.448 3.057 50 50 GGGA C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)C(C)C)c1 5613811 NLBIQSIVOAIDOG-HYARGMPZSA-N 398.419 3.109 50 50 GGGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(OC)c1O 102294912 MPEVAWZQAGCZDH-HYARGMPZSA-N 377.485 3.108 50 50 GGGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Br)ccc1OC 822998 JJOYQHXVOJHTKI-HNNXBMFYSA-N 393.237 3.102 50 50 GGGA COc1ccc([C@@H]2C[C@H]2CC(=O)N2CCC(C)(CNC(=O)CCl)CC2)cc1 1875383470 VZSXERGYBFNBLF-WMZOPIPTSA-N 392.927 3.173 50 50 GGGA O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1cccs1 5034855 CROHMPCTLIKAPB-UHFFFAOYSA-N 389.658 3.004 50 50 GGGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 2571800 IOWLRZBHONUAKZ-AWQFTUOYSA-N 396.230 3.099 50 50 GGGA COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2C)cc1OC 19849993 QHXXYRHFMTVGDX-XKZIYDEJSA-N 398.488 3.223 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccco2)[C@@H]2CN(Cc3ccccc3)CC=C12 13479762 MEHPOXJVZFPQCP-CTNGQTDRSA-N 381.439 3.205 50 50 GGGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1ccc(Cl)cc1Cl)C(F)(F)F 2769949 VVBCDZSYTQDMBM-LDYMZIIASA-N 394.560 3.006 50 50 GGGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 245226646 HERSTKAHKKQYRA-IGOAIWRZSA-N 396.241 3.339 50 50 GGGA Cc1onc(C2CCCC2)c1C(=O)NCC1(NC(=O)CCl)CCCCC1 1875383822 FKJHGXOXLWYLGT-UHFFFAOYSA-N 381.904 3.428 50 50 GGGA Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N2C 17373706 WQDZWOUFYJTIGA-XLNRJJMWSA-N 392.242 3.178 50 50 GGGA Cc1ccc2c(c1)/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)C(=O)N2 5447604 XFTQJONRWPALNS-UHFFFAOYSA-N 378.215 3.153 50 50 GGGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O 102295037 SWNWXMZGPBNOBU-BUVRLJJBSA-N 398.507 3.235 50 50 GGGA CC(C)OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C(=O)OC(C)C 170155658 WTAZEIUCUCCYIA-KBPBESRZSA-N 378.614 3.330 50 50 GGGA CC(=O)O[C@@H](c1ccccc1)c1nc(C2CCN(C(=O)[C@H](C)Cl)CC2)no1 1875364913 XZDSZMBEDKKWCJ-LRDDRELGSA-N 391.855 3.055 50 50 GGGA C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccc([N+](=O)[O-])cc1 13617312 WQAPJIVKOZDECB-UDWIEESQSA-N 383.433 3.114 50 50 GGGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 2532148 UWMQIRWXGIBUOP-BHGWPJFGSA-N 394.862 3.385 50 50 GGGA COc1cccc(NC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1 11561323 SRWAUCUIQLFUPI-AWEZNQCLSA-N 379.416 3.469 50 50 GGGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Br)ccc1OC 822997 JJOYQHXVOJHTKI-OAHLLOKOSA-N 393.237 3.102 50 50 GGGA COC(=O)c1c(NC(=S)NNC(=O)c2csc(C)c2)sc(C)c1C 17078363 AQNOAMHSGAPDSA-UHFFFAOYSA-N 383.520 3.153 50 50 GGGA COc1ccc(CC(=O)NNC(=S)Nc2ccc(Br)cc2)cc1 8579364 BKZFXMZTOBJLJF-UHFFFAOYSA-N 394.294 3.018 50 50 GGGA C[C@H](Sc1nc2ccccc2s1)C(=O)NNC(=S)NCc1ccco1 2858591 GDABITAIGSMLGH-JTQLQIEISA-N 392.531 3.065 50 50 GGGA C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc(Br)cc1 5203863 XARLZQMZRVQSRI-UDWIEESQSA-N 393.310 3.488 50 50 GGGA COC(=O)c1ccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1 2521881 SWHYZHMRWXYMAB-AWQFTUOYSA-N 381.215 3.309 50 50 GGGA Cc1scc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1-c1ccccc1 138897556 GAEZUJFCWZUVDB-DFEHZGFQSA-N 398.484 3.231 50 50 GGGA C/C(=N\NC(=O)c1ccco1)c1ccc(/C(C)=N/NC(=O)c2ccco2)cc1 5006109 HJGMXSPIJOVDSA-JFMUQQRKSA-N 378.388 3.181 50 50 GGGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)cc1 9088484 PWPQTYFZYCSMRF-LPYMAVHISA-N 394.431 3.257 50 50 GGGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc(OC)c1OC 16971475 AAGCIVLKJFVVDH-SSDVNMTOSA-N 398.394 3.006 50 50 GGGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3O)cc2)cc1 4360451 TUWRURIHVRVWAK-YDZHTSKRSA-N 390.395 3.389 50 50 GGGA O=C(NNC(=O)c1ccccc1Br)c1cccc(Br)c1 1230036 CZUWFGZLCHWVSB-UHFFFAOYSA-N 398.054 3.286 50 50 GGGA COc1ccccc1[C@H](C)CC(=O)N1CCC(CCNC(=O)CCl)CC1 1875384688 UPEJMNPJMGNQFC-OAHLLOKOSA-N 380.916 3.173 50 50 GGGA CC(/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1)=C\c1ccccc1 22924866 GENVOGWSQGWTED-LHQWZPQHSA-N 376.504 3.010 50 50 GGGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)cc3)n[nH]2)cc1OC 1468587 CKFQSEIAKQMZHP-LPYMAVHISA-N 394.431 3.257 50 50 GGGA COc1cccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)c1O 4114845 XRLYCWRVEGASLY-FSJBWODESA-N 394.475 3.356 50 50 GGGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cccc(Br)c1 727862 YSNUQRLVFWOGIG-AWEZNQCLSA-N 377.238 3.484 50 50 GGGA O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C1/C(=O)Nc2ccccc21 17778670 RPJVMPCXBBOWPZ-UHFFFAOYSA-N 398.633 3.498 50 50 GGGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc2ccccc12 4347311 PNNHEJYOEDIHQG-SRZZPIQSSA-N 396.790 3.490 50 50 GGGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 12417781 CODQPWNZOWACQQ-VXLYETTFSA-N 385.470 3.325 50 50 GGGA CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1 627508 NXXYPLNEXMXTOJ-GOSISDBHSA-N 376.412 3.477 50 50 GGGA COc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 2852965 XUIGWPCFUGORSW-UHFFFAOYSA-N 384.219 3.477 50 50 GGGA CCn1c(SCC(=O)N/N=C(\C)c2ccco2)nnc1-c1ccc(OC)cc1 4951677 DNXFZZOLXBDMFR-DEDYPNTBSA-N 399.476 3.199 50 50 GGGA COc1ccc(CCNC(=O)c2ccccc2NC(=O)CCCl)cc1OC 5676188 QZTFMASKTFGDFM-UHFFFAOYSA-N 390.867 3.244 50 50 GGGA O=S(=O)(O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 60290243 CHVFGCXPLGAAQN-UHFFFAOYSA-O 385.445 3.258 50 50 GGGA O=C(CCl)NC[C@@H](NC(=O)c1scnc1C(F)F)C1CCCCC1 1875384955 ZFCXDTPWCNOOLC-SNVBAGLBSA-N 379.860 3.114 50 50 GGGA C/C(=N/NC(=O)c1cc2c(s1)CCCC2)c1cccc(NS(C)(=O)=O)c1 17080001 BUNILVKCBNOWKS-UNOMPAQXSA-N 391.518 3.152 50 50 GGGA O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1COc2ccccc2O1 1226691 UEEKFOQRCWCHOR-GWJWUGQSSA-N 393.355 3.145 50 50 GGGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1[nH]nc(-c2ccccc2)c1C 945840 YZFUHVRZKMEIFC-WSDLNYQXSA-N 394.431 3.175 50 50 GGGA O=C(C[C@@H](NCc1ccco1)C(=O)O)NN(c1ccccc1)c1ccccc1 2857140 LZKAPHNRDSLEDP-LJQANCHMSA-N 379.416 3.082 50 50 GGGA COc1ccc(/C=C(\C#N)C(N)=O)cc1CSc1nc(C)cc(C(F)F)n1 20353453 JVNRKCVJOHQFNQ-WUXMJOGZSA-N 390.415 3.416 50 50 GGGA C[C@]12C[C@H](O)[C@@H](Br)C[C@@]1(C)C2(Br)Br 230111665 UNNVKMAHOLSSIG-HSNKUXOKSA-N 376.914 3.417 50 50 GGGA COc1c(O)cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1Br 5740392 LSVWEYUTETUBGR-AWQFTUOYSA-N 392.253 3.034 50 50 GGGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)c3ccc(Cl)s3)ccc12 1117786 WXXBTGXDZPALNZ-UHFFFAOYSA-N 393.877 3.448 50 50 GGGA FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@H](Br)C[C@H]1[C@H]2Br 252430785 JWJVSPNLWDYONI-RSJOWCBRSA-N 390.947 3.369 50 50 GGGA COc1cccc(/C=N/NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c1O 659542 JCVDDPCGRBULRW-ZVBGSRNCSA-N 384.823 3.063 50 50 GGGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C1\C(=O)Nc2ccccc21 5091883 HRZWHYCEHAYLAQ-UHFFFAOYSA-N 386.455 3.383 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2)nnc1-c1ccccc1 2339645 JOYATTUOJWRAIM-FYJGNVAPSA-N 395.488 3.216 50 50 GGGA O=C(NNC(=S)NCc1ccc(Cl)cc1)c1ccc(-n2cccc2)cc1 2857736 PCWUEWUJFUPWHC-UHFFFAOYSA-N 384.892 3.440 50 50 GGGA CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OC)c2)nc2ccccc21 1193009 QVCBCPNSHXUZRV-CIAFOILYSA-N 398.488 3.316 50 50 GGGA Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1O 5613179 AHQBPLRVROYXRH-SSDVNMTOSA-N 398.850 3.377 50 50 GGGA Cc1noc2nc(C3CC3)cc(C(=O)NNC(=S)Nc3ccc(F)cc3)c12 122557815 ZQSWTTKLPYMJHW-UHFFFAOYSA-N 385.424 3.179 50 50 GGGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccccc4Cl)[C@@H]3[C@H]1CC2 253390196 WHMVSIICGXGYPV-GBRSUSRYSA-N 375.863 3.226 50 50 GGGA COc1ccc(/C(C)=N\NC(=O)c2cncc(Br)c2)cc1OC 22343379 LBOUZFOGEQNQBG-GRSHGNNSSA-N 378.226 3.015 50 50 GGGA C[C@H]1CCCN(C(=O)C2Cc3ccccc3C2)[C@H]1CCCNC(=O)CCl 1875383597 ALJUGQUDHSDXOQ-KXBFYZLASA-N 376.928 3.164 50 50 GGGA COc1cccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 653363 DBNRKLFOWDFFTQ-JKSUJKDBSA-N 375.881 3.470 50 50 GGGA CC(=NNC(=O)[C@@H](C)n1nnc2ccccc21)c1ccc(Br)cc1 244724548 MWEXXHNYYKHYPS-GFCCVEGCSA-N 386.253 3.295 50 50 GGGA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O3)cc1 5489885 SZHOZKGDOOEKQN-INIZCTEOSA-N 389.371 3.212 50 50 GGGA C[C@@H]1CCCN(C(=O)C2Cc3ccccc3C2)[C@@H]1CCCNC(=O)CCl 1875383595 ALJUGQUDHSDXOQ-DNVCBOLYSA-N 376.928 3.164 50 50 GGGA O=C(c1ncn2c1COc1ccccc1-2)N1CCC2(CC1)C[C@@H]2Br 1875317954 HOLYJHTZOJMSLY-HNNXBMFYSA-N 388.265 3.154 50 50 GGGA Cc1c(C(=O)NCCSSCCC(=O)O)cnn1-c1cccc(Cl)c1 1875388807 QZDPYPPYRMUJSG-UHFFFAOYSA-N 399.925 3.420 50 50 GGGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Br)c2)C2=C1CCCC2=O 2507054 GIPWHGURDCMHDZ-INIZCTEOSA-N 387.281 3.026 50 50 GGGA O=C(CCl)NCc1ccc(CNC(=O)[C@]2(C3CCC3)CC2(F)F)c(F)c1 1875384450 PRILGTXMMTZAJQ-QGZVFWFLSA-N 388.817 3.122 50 50 GGGA Cc1ccc(NC(=O)[C@@H](Br)[C@H](Br)C(=O)O)cc1Cl 1751369 VSQDQXZWQZLULA-IUCAKERBSA-N 399.466 3.199 50 50 GGGA O=C(CCc1ccccc1)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2854086 GAHOHTVFWDBEJA-UHFFFAOYSA-N 387.439 3.333 50 50 GGGA O=C(NNC(=S)Nc1ccc(Br)cc1Cl)c1ccncc1 2851339 YAMLHSJWYJGZCC-UHFFFAOYSA-N 385.674 3.129 50 50 GGGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2379930 XMSHHCBGVQQRRD-KEBDBYFISA-N 380.231 3.481 50 50 GGGA C/C(=N\NC(=O)c1ccccc1I)c1ccc(N)cc1 12343234 RUPREADNOZBDCY-VCHYOVAHSA-N 379.201 3.027 50 50 GGGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccco2)[C@H]2CN(Cc3ccccc3)CC=C12 989232 MEHPOXJVZFPQCP-PZJWPPBQSA-N 381.439 3.205 50 50 GGGA C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(=O)NNC(=O)c1ccccc1 263639616 AJBDDLBKQBGAQI-VIFPVBQESA-N 386.761 3.015 50 50 GGGA COc1ccc(Br)cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 1073972 MWZLVHOLKZUDHZ-VIZOYTHASA-N 384.211 3.191 50 50 GGGA CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1O 4360332 FNCUAEIRQYIKAG-VXLYETTFSA-N 393.237 3.083 50 50 GGGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(N)=O)cc1OC 2544332 AFDAZMRFOZWCOE-FSJBWODESA-N 393.399 3.078 50 50 GGGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1 2572285 BOVXVABSVSBTSV-GIJQJNRQSA-N 380.629 3.191 50 50 GGGA O=C(CCl)N[C@H]1C[C@@H](NC(=O)c2ccc(C(F)(F)F)s2)C12CCC2 1875383929 HJPMWMPEPUIFJV-VHSXEESVSA-N 380.819 3.163 50 50 GGGA Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)[C@H](C)Cl)c2ccccc2)c(C)c1 1875364138 FFJIYIABIHQUDG-RDJZCZTQSA-N 394.924 3.067 50 50 GGGA CCCC(=O)Nc1ccc(Cl)c(NC(=O)NNC(=O)c2ccoc2C)c1 225853097 LEJKXIPSFODLCI-UHFFFAOYSA-N 378.816 3.447 50 50 GGGA CCOc1ccccc1C(=O)NNC(=S)Nc1ccc(Br)cc1 1117852 SZXOCQAZZSLHSL-UHFFFAOYSA-N 394.294 3.479 50 50 GGGA C[C@@H](Cl)C(=O)NCc1ccc(NC(=O)CCN(C)Cc2ccccc2)cc1 1875364100 IITMVLDKDRPYOB-MRXNPFEDSA-N 387.911 3.391 50 50 GGGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1 17122556 QWFGLSRQTVAUCC-SRZZPIQSSA-N 382.807 3.281 50 50 GGGA C/C(=N/NC(=O)c1ccc(Cl)cc1)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C 6186368 ZVIWFPIJRIUEAP-JAIQZWGSSA-N 398.810 3.291 50 50 GGGA