smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O1 1228470 ZPTUUCKEPHMKTK-QFIPXVFZSA-N 497.368 4.019 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)cc2)cc1 2506517 DSLZYYYTRNIAMD-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA O=C(Nc1ccc(Br)c(Cl)c1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239121202 JMQKBAXIVMFFQO-ZXRAVRJFSA-N 483.971 4.265 50 50 JIGA CC(/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)=C\c1ccccc1 20157344 GSVZFVFFBZBSTG-KFEXCUEZSA-N 490.423 4.055 50 50 JIGA O=C(N[C@@H](C(=O)NN=Cc1cccc2ccccc12)c1nnc(O)c2ccccc12)c1ccccc1 252678595 FWUWEAZKNWCZME-RUZDIDTESA-N 475.508 4.110 50 50 JIGA aggregator CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)NCc2ccccc2)NC(C)=C1C(=O)OC 20034822 FWFHERIIVSNLGC-DEOSSOPVSA-N 477.586 4.004 50 50 JIGA Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)cc1 1775975357 HUDMXZCCABUPFA-JOCHJYFZSA-N 454.454 4.259 50 50 JIGA C/C(=N\NC(=O)c1cnn2c(C)cc(-c3ccccc3)nc12)c1cccc(NC(=O)C(C)C)c1 672930 JPIREWSCBIMHCV-UXHLAJHPSA-N 454.534 4.453 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccc(O)cc1O 2543791 QVHDRMRTDWXIBV-BHGWPJFGSA-N 489.709 4.497 50 50 JIGA CC1(C)[C@@H](O)[C@@]2(Br)CC[C@@]1(C(Br)Br)[C@@H]2Br 169795840 MXWOGZXJHDUNLB-FTEGDLIOSA-N 469.837 4.180 50 50 JIGA COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1COc1ccccc1C(N)=O 2101189 FWYXMHXRBSLLCE-KKMKTNMSSA-N 472.328 4.444 50 50 JIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 4287166 ABHHYMAXYLAYSI-OGLMXYFKSA-N 451.530 4.499 50 50 JIGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 4296128 HXZWZENOHSZILV-CVKSISIWSA-N 471.542 4.181 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 257345432 CBGUOGMQLZIXBE-DEXYCNDYSA-N 466.977 4.103 50 50 JIGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)c(OC)c1 716497 SWMLAYNPURUBKR-DEOSSOPVSA-N 473.529 4.373 50 50 JIGA COc1nn([C@@H](C)C(=O)N/N=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 20311519 JLRGSVBUYHSVOM-VRVUXBDFSA-N 492.319 4.397 50 50 JIGA CC(=O)O[C@H]1O[C@]2(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)C[C@H]1S(=O)(=O)c1ccccc1 169836759 QHXNLNGMJKAPJD-FCIYXJNOSA-N 454.661 4.452 50 50 JIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1 2520376 GTZHJOPPPBMWFO-CVKSISIWSA-N 464.909 4.080 50 50 JIGA C/C(=N/NC(=O)c1ccc(Cn2cccn2)o1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 667244 REAWYCGPBUFCIB-WGARJPEWSA-N 496.321 4.286 50 50 JIGA CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c1OCC 1472153 KRWOWHIMPJFGLO-HSZRJFAPSA-N 457.530 4.221 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 2529693 JDPOAMKJTJHBGO-JFLMPSFJSA-N 479.920 4.355 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1cccc(Br)c1 4354276 VTXZZMROCGNCHR-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA CCOc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)c(Br)c(Br)c1O 32593031 JVSYCYMZHPJYLH-AFPJDJCSSA-N 485.176 4.187 50 50 JIGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1cccc(NC(=O)C2CCC2)c1 8454280 MSUYICCOBYEYGQ-ZTBJCTOSSA-N 471.193 4.162 50 50 JIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)c1 4261141 RLPKUXVGGBHSQD-OCSSWDANSA-N 465.509 4.248 50 50 JIGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 16286480 KYONINYCWYZKNF-KRWDZBQOSA-N 453.296 4.162 50 50 JIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccc(O)cc1O 968799 YPVNJLGAJSQPHQ-BRJLIKDPSA-N 466.950 4.392 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 2529725 ZZIAMAHZKKZINT-JFLMPSFJSA-N 495.919 4.055 50 50 JIGA CC(/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)=C\c1ccccc1 8427133 APKIAFPJVOZLRK-IZIAZMTESA-N 453.498 4.392 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OCc1ccc(Cl)cc1 1471967 NTOQNZSYIVZBNJ-OAQYLSRUSA-N 450.878 4.407 50 50 JIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)COc3ccc(Br)cc3)c2)cc1 4360333 MPKKPRYMHPFGJP-AFUMVMLFSA-N 483.318 4.206 50 50 JIGA CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1 5353581 MOJWNMNHLFPPQC-WPWMEQJKSA-N 455.566 4.489 50 50 JIGA COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)COc3cc(C)ccc3C)c2)cc(OC)c1OC 1234644 LUDZPYCADAPLJC-RWPZCVJISA-N 492.528 4.078 50 50 JIGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(C(F)(F)F)cc3)C3=C2CCS3(=O)=O)cc1 12420859 INTZUJHZWCOGMH-IBGZPJMESA-N 461.465 4.042 50 50 JIGA CC(C)[C@H](C(=O)OC(CCl)CCl)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 229979520 FPOSFOCWSOMPFF-FDTLVRFQSA-N 486.395 4.293 50 50 JIGA COc1ccc(CN2CCN(C(=O)CCCC[C@H]3CCSS3)CC2)c(OC)c1OC 732271020 MXDCALSPHKHONX-SFHVURJKSA-N 454.658 4.071 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1cccnc1 2544353 COQMSDRAYQBALI-RDRPBHBLSA-N 465.465 4.284 50 50 JIGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C1\C(=O)Nc2ccc(Br)cc21 13633750 BDWJUEMJJIAZMT-UHFFFAOYSA-N 461.319 4.420 50 50 JIGA Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1 1170626 JQBOVGWUYMCMQI-CSWGWEJPSA-N 461.587 4.494 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1cccc(Br)c1 2521121 JROLHELYZPUDGL-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)/C=C/c1ccccc1 4327130 ZPCVEDZZJXCPHU-QFIDGCSMSA-N 489.484 4.140 50 50 JIGA COc1ccc(OC)c(N2C(N)=C(C#N)[C@@H](c3ccc(OC)c(O)c3)C3=C2CC(C)(C)CC3=O)c1 1064086 QORUHHUSWLHXCM-XMMPIXPASA-N 475.545 4.359 50 50 JIGA O=C(C[n+]1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1)c1ccccc1 2897273 GOYSDPAPTKRKSG-RDRPBHBLSA-O 450.518 4.200 50 50 JIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(F)cc1 2529623 DWBRMFHHRNKODV-RPPGKUMJSA-N 474.275 4.441 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2OC)cc1 2531608 OJRLXFXHFDMDSE-WGOQTCKBSA-N 477.473 4.375 50 50 JIGA CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 253498868 AEDZUDVIFQHWGD-LVXBWUJGSA-N 483.443 4.081 50 50 JIGA biogenic O=C(CSCc1c(Cl)cccc1Cl)NNC(=S)Nc1ccc2c(c1)OCCO2 20428985 SZHPERUKFZXSNP-UHFFFAOYSA-N 458.392 4.016 50 50 JIGA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2 239254640 YOESVLDFVRCLOS-LTZPGGHWSA-N 458.624 4.353 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3)cc2OC)cc1 4327506 YSLNCRDDDSRGMI-MTDXEUNCSA-N 489.528 4.182 50 50 JIGA O=C(N/N=C/c1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccncc1 860657 YPRYVYFOPSNVOI-MMQHPSSSSA-N 464.525 4.393 50 50 JIGA COc1cccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)c1 2544215 YHXMERUCUCIBGC-STBIYBPSSA-N 481.508 4.465 50 50 JIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 2544484 QHOFKDVXPNEYQB-CCVNUDIWSA-N 465.937 4.116 50 50 JIGA CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 1114285 ZHZINWVTAVAZJQ-GOSISDBHSA-N 469.950 4.227 50 50 JIGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)CSCc3c(F)cccc3Cl)ccc12 2851010 BQFWRMJLDUJVDO-UHFFFAOYSA-N 465.959 4.145 50 50 JIGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])c1 25584187 JBFYKXVBSKFFQR-CVKSISIWSA-N 455.474 4.285 50 50 JIGA COc1ccc(OCC(=O)N/N=C(\C)c2ccc(Br)s2)c(Br)c1 12343137 ZZGCKZOXTGIZOD-GIJQJNRQSA-N 462.163 4.201 50 50 JIGA CC1(C)OC[C@@](O)(C#C[C@@]23CC[C@@H](C[C@H]2O)C3(C)C)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1 169835061 ZHVZBABYXAWHRV-BIBMUJTHSA-N 452.708 4.472 50 50 JIGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12 16346883 SHXHDZYKERUUKL-UHFFFAOYSA-N 477.502 4.351 50 50 JIGA COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C#N)=C(N)O3)cc1OC 1112539 YAVUIZFJAAQAOC-OAQYLSRUSA-N 484.468 4.124 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1cccc(F)c1 1234614 LIZODBSNELZTET-LGJNPRDNSA-N 456.857 4.236 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 2518493 RCLXHMRFGVTLCL-JFLMPSFJSA-N 495.919 4.055 50 50 JIGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2544184 PMWYVZUIRQWTLP-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA CCOc1ccc2nc(SCC(=O)NNC(=O)CSc3nc4ccccc4s3)sc2c1 2753778 CGSXNLYDLPQBPY-UHFFFAOYSA-N 490.657 4.337 50 50 JIGA C=C(C)Cn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nc2ccccc2c1=O 1050675 MXBSJACLKSVDLG-LGJNPRDNSA-N 458.543 4.074 50 50 JIGA COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1O 2329808 KKTUJATTZQZBEB-ZVBGSRNCSA-N 481.024 4.440 50 50 JIGA COc1ccc(OC)c(/C=N/NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)c1 15018333 HPGCTSQDJIXFQK-HUYKCJTGSA-N 455.514 4.181 50 50 JIGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2cc(Br)c(CC)s2)s1 20191800 NVTULGFJLFZUOO-UHFFFAOYSA-N 476.443 4.115 50 50 JIGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1OC 1207785 PQNBIILQHMVICT-WGOQTCKBSA-N 473.558 4.194 50 50 JIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2543969 AAGVMZPRDNQZCH-CAUYNWHBSA-N 467.865 4.385 50 50 JIGA CCc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(Br)c1 2852494 QBVVJLLAXZGMCM-UHFFFAOYSA-N 496.361 4.104 50 50 JIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)[nH]n2)cc1OC 5403074 QKABDRDBGRHKEI-JVWAILMASA-N 456.502 4.437 50 50 JIGA NC(=O)c1cc2cc(NC(=O)NNC(=O)c3ccc(COc4ccc5ccccc5c4)cc3)ccc2[nH]1 1875321068 SOACJQBXZPVXBY-UHFFFAOYSA-N 493.523 4.466 50 50 JIGA COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)ccc3C)cc2)cc(OC)c1OC 22343080 YQBZVVFCZWMQIT-RWPZCVJISA-N 492.528 4.078 50 50 JIGA CCOC(=O)c1c(C)n(C)c2ccc(OCC(=O)NN=Cc3cc(Br)cs3)cc12 252680262 YCLVTGORFGULHM-UHFFFAOYSA-N 478.368 4.017 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 4354927 OUSMHINDGBRQSB-GLYRRZRCSA-N 454.482 4.251 50 50 JIGA COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)ccc1O 2269298 LVFDNPQDMKQIQE-ZVBGSRNCSA-N 481.024 4.440 50 50 JIGA N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 2835141 DISFIMUWXNAWRX-LJQANCHMSA-N 458.499 4.459 50 50 JIGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 4260448 UIYTYFKSTHHGBI-KSXCTLEASA-N 485.606 4.317 50 50 JIGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Br)c2)C2=C1C[C@@H](c1ccccc1)CC2=O 691427 KNVVLLHTJHNKKH-VGOFRKELSA-N 463.379 4.420 50 50 JIGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 2544270 SZZXCYDDISGTLA-VULFUBBASA-N 467.909 4.025 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccc(Br)o2)ccc1OC(=O)c1ccc(C)cc1 2506516 NWPATVFBRWQISV-FSJBWODESA-N 457.280 4.342 50 50 JIGA COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1Cn1nc(C)c(Br)c1C 676252 QOMLULNCWLREAM-RPPGKUMJSA-N 499.409 4.465 50 50 JIGA C=CCc1cccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c1O 2820919 GNUNOOSMMPTLCW-AWQFTUOYSA-N 454.118 4.115 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2OC)cc1 4283594 FCNCLKRJSKGPIH-OGLMXYFKSA-N 489.528 4.100 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)cc1 2543896 FKODYXIPESQTRZ-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccccc3Br)c2)cc1 2553153 FJJLQIDIWXKLDU-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA COc1cc(/C(C)=N/NC(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)cc(OC)c1OC 8682839 ZKODJRBDILLCOP-UVHMKAGCSA-N 462.428 4.071 50 50 JIGA CCN(CC)c1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 9192097 QAUBYYROLYAYJR-SWOOFCMFSA-N 484.556 4.183 50 50 JIGA CCCCOc1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1OC 252427600 QTWBWJFRFBHMRI-IAGOWNOFSA-N 496.633 4.482 50 50 JIGA CC(C)(C)OC(=O)NCc1cc(C(=O)NCCSSCCC(=O)O)sc1Cl 1875388695 MKCYSSDUEJNSQK-UHFFFAOYSA-N 455.023 4.012 50 50 JIGA COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 1217244 PRHGXOQDINOGQR-KRWDZBQOSA-N 472.423 4.339 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1Cl 2518527 BOIHHRNRQLURAT-DHRITJCHSA-N 456.285 4.301 50 50 JIGA N#CC1=C(N)N(c2nc[nH]n2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Br)cc1 690827 FEVPCTUPMIVSQI-KKSFZXQISA-N 487.361 4.266 50 50 JIGA CCCCCCCn1c(=O)c(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(O)c2ccccc21 2291456 QDXPGRIBLGJWIJ-WGOQTCKBSA-N 451.523 4.156 50 50 JIGA COc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1CN1CCN(c2ccc(F)cc2)CC1 55450477 DKPDNSJTWRCDCW-RDRPBHBLSA-N 460.553 4.229 50 50 JIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(F)cc1F 1775977801 XFSXIRLDGMCJCD-NRFANRHFSA-N 458.417 4.090 50 50 JIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209493 TXJYRIVRPJDBEZ-CAUYNWHBSA-N 467.865 4.385 50 50 JIGA C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 13942598 LMFCGWVULCDTLS-KOEQRZSOSA-N 472.530 4.475 50 50 JIGA N#Cc1cc(Br)ccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 1234630 NWUDFUQEROSSRQ-UVHMKAGCSA-N 496.292 4.208 50 50 JIGA COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1OC 2340898 LOCIRLRRPJOVKA-SRZZPIQSSA-N 460.606 4.090 50 50 JIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 4347129 YVGFLAIJJUDLIB-OGLMXYFKSA-N 451.482 4.456 50 50 JIGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 4354518 KRQPDEMXTYZCBL-AFUMVMLFSA-N 482.334 4.126 50 50 JIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccc(Br)c3)c2)cc1 2542485 KRKPLPXNJPZBSD-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA COc1ccccc1NCC(=O)NNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 825643671 IMAUHIJOVCRDSJ-UHFFFAOYSA-N 478.499 4.314 50 50 JIGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)/C=C/c1ccccc1 2542436 NKNPESYXHGPPNC-OREVPXDUSA-N 489.484 4.140 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2)cc1OC 4283320 HHZNAKPXDADBGY-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cn(C)c3ccccc23)cc1OC 16677589 HZNCMBHUSXAKSI-MVOJRJSQSA-N 482.540 4.117 50 50 JIGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1nnc(-c2ccccc2)s1 25584337 GETIZJRNYDTYFU-FSJBWODESA-N 496.346 4.316 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2OCC)cc1 4330512 QZUHGIDTLGYLKT-OGLMXYFKSA-N 489.528 4.100 50 50 JIGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1cccc(Oc2ccccc2)c1 19800721 YAGUPLQNESTRAC-MTDXEUNCSA-N 462.981 4.400 50 50 JIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 25504586 MFXCZHJOIVQDRT-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc(Br)cc3)c2)cc1 2544350 QCISLPSPFQENNU-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 2552876 IEMAMCMRFDCPKH-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)ccc1OC(C)=O 2321523 NDVDBJFWYZRAPO-SSDVNMTOSA-N 488.616 4.007 50 50 JIGA COc1ccccc1NCC(=O)NNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 825643407 BCMKXXWXMORBOP-UHFFFAOYSA-N 460.509 4.175 50 50 JIGA c1ccc([P+](c2ccccc2)(c2ccccc2)c2nc(-c3ccco3)oc2N2CCOCC2)cc1 100855261 WVCCAZQXEUOSCK-UHFFFAOYSA-N 481.512 4.391 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccncc2)cc1OC 731281 LZDLLLWAORZBSO-LQKURTRISA-N 455.470 4.235 50 50 JIGA O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520361 VNPIJZGYPPLIIW-MZJWZYIUSA-N 454.408 4.047 50 50 JIGA COc1ccc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(OC)cc2)cc1 13617856 VGPDJPGTCWTTJF-MKYUKRCKSA-N 466.582 4.425 50 50 JIGA COc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1COCC(F)(F)C(F)F 2785360 AMBBLMORWSYHEP-HCGXMYGOSA-N 467.213 4.232 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc(Br)c1O 16293179 AERLFIRDFUJRPQ-OAHLLOKOSA-N 473.714 4.425 50 50 JIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2531285 AOIXJPFFMQEWSM-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)c(OC)c2)cc1 4330199 MOASYPPTOIJPCW-OGLMXYFKSA-N 474.513 4.181 50 50 JIGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2543821 PQJQEFCOCXFSRS-XODNFHPESA-N 484.339 4.401 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360242 FRSDDLQIWUOCNT-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA COc1ccc(/C=N/NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc1OC 15015543 HLNSCSQMOJPMPW-PCAINOEDSA-N 455.514 4.181 50 50 JIGA COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)cc1OC 20258989 ZBUZFKSLQXMJHD-NBVRZTHBSA-N 477.473 4.050 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(Br)cc1OCc1ccc(F)cc1 1134559 KLTWNDFLFCSGGY-HXUWFJFHSA-N 485.313 4.426 50 50 JIGA O=C(N/N=C/c1ccc2c(c1)OCCO2)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2789078 PXQDYSQRWVVRIY-OPEKNORGSA-N 473.436 4.012 50 50 JIGA COC(=O)N/N=C(/C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(Cl)cc1Cl 5808976 DRUHEFKBLPHPHH-JYBCESJWSA-N 487.137 4.046 50 50 JIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1 822655 VQAKDPYJEGLIBH-BUVRLJJBSA-N 458.503 4.085 50 50 JIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 2553575 OGULKMZTGINCSY-FDAWAROLSA-N 495.535 4.338 50 50 JIGA O=C(Nc1ccc(Br)c(Cl)c1Cl)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239121201 JMQKBAXIVMFFQO-LULKPTOOSA-N 483.971 4.265 50 50 JIGA O=C(COc1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 4260025 RAGUIUVAOJFTBU-DHRITJCHSA-N 471.282 4.337 50 50 JIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2cccc(Br)c2)o1 649247 IVBDTBUACHHTDR-IBGZPJMESA-N 459.296 4.266 50 50 JIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1OC 1457991 OCWZGWWTUOKEDC-VULFUBBASA-N 468.893 4.349 50 50 JIGA CCc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F 2793855 CFOXQAPYYJIVAL-RTBURBONSA-N 470.549 4.440 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2)cc1 4282550 KYYGZKIJIYBRTG-AFUMVMLFSA-N 483.318 4.206 50 50 JIGA COc1ccc(C(=O)Nc2ccc(/C(C)=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 17136222 LKTAIQCKGRIODN-CVKSISIWSA-N 462.462 4.018 50 50 JIGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1C)C(=O)N2 15018540 FRNGJIDMCBVHJV-UHFFFAOYSA-N 458.356 4.215 50 50 JIGA CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)N(C)C(=O)N1c1cccc(C(F)(F)F)c1 68149906 YAJWYFPMASPAMM-HXUWFJFHSA-N 474.464 4.391 50 50 JIGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(OCc2cccc(Br)c2)cc1 35327935 HAHYQMCIXBVHKJ-FSJBWODESA-N 470.279 4.406 50 50 JIGA CCCCOc1ccc(C=NNC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1OC 252441289 NIUUZSOGNHFCTH-UHFFFAOYSA-N 490.585 4.463 50 50 JIGA O=C(NNC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1)c1cccc(C(F)(F)F)c1 263639719 GBQVGSAPBMPWLU-UHFFFAOYSA-N 450.726 4.100 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1 2896148 ATZHQHIEFARCFY-YDZHTSKRSA-N 468.263 4.340 50 50 JIGA O=C(NN=Cc1ccc(-c2ccc(C(=O)O)cc2)o1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1 1775964680 CKGVUWHGRYRYNE-XCFJXVFOSA-N 486.440 4.270 50 50 JIGA Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)cc1 1775975358 HUDMXZCCABUPFA-QFIPXVFZSA-N 454.454 4.259 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1 2744501 OJTITPHWNVTSGM-CVKSISIWSA-N 450.491 4.064 50 50 JIGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 4258638 PLKTZCWEBOBKBH-LQKURTRISA-N 455.445 4.287 50 50 JIGA COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cc(Br)ccc2OC)cc1 2077214 CMIMJICKCUHQSR-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 4372648 MXCQORUUJVOLEG-WBILBPDKSA-N 452.894 4.485 50 50 JIGA CCOc1cc(/C=N\NC(=O)CNc2ccccc2C)c(Br)c(Br)c1O 32603928 KUEPPVRDILYHHV-AFPJDJCSSA-N 485.176 4.187 50 50 JIGA COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1F 1142187 DQPMYTFANFBKHK-PMACEKPBSA-N 453.495 4.084 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1 4302756 UKRDZZVBLVTHEL-MTDXEUNCSA-N 473.529 4.482 50 50 JIGA COc1nn([C@H](C)C(=O)N/N=C/c2ccccc2OCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 20311522 JLRGSVBUYHSVOM-OKYTWDAHSA-N 492.319 4.397 50 50 JIGA CCOc1ccc(OCc2ccc(C(=O)NNC(=S)Nc3ccc(OC)cc3OC)cc2)cc1 20613821 HAZKHYVMNMGKLT-UHFFFAOYSA-N 481.574 4.313 50 50 JIGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c([N+](=O)[O-])c1 22343426 UGTZPSFCPAATSU-UHFFFAOYSA-N 497.508 4.068 50 50 JIGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 2542671 DRABGPHBLKEBON-OCSSWDANSA-N 465.509 4.248 50 50 JIGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c(Br)c1 2866158 PPGZIUPDOBGZJM-UHFFFAOYSA-N 469.763 4.005 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3O)cc2OC)cc1 4360464 LKLFGPHWIVZCHK-JVWAILMASA-N 478.501 4.268 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OCc1ccc(Cl)cc1 2533902 HXOSWBKNJHXEBK-JFLMPSFJSA-N 481.936 4.415 50 50 JIGA CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4282891 VTDZZUXCOPRDTG-KTCKORJGSA-N 485.334 4.373 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2518714 RGYWNNOMHZGXSK-DHRITJCHSA-N 456.285 4.301 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1 2553459 MHCAZLIBJLUBLG-LGJNPRDNSA-N 498.308 4.205 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)cc1 2544108 UTLMPAFLJJPBCG-VULFUBBASA-N 451.910 4.325 50 50 JIGA Cc1ccc2c(c1Br)[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 756257 YGXGHEZCMMDKMQ-JBEBIEQOSA-N 476.330 4.072 50 50 JIGA O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)Nc1ccccc1 832772 RXQHFLZBQNJJLZ-ZVHZXABRSA-N 452.308 4.231 50 50 JIGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)c1OC 1108361 QBKCSNGVYKODLQ-MRXNPFEDSA-N 453.296 4.075 50 50 JIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(SCc2ccccc2)s1 1902410 XRMFJHUEPHDOLA-SSDVNMTOSA-N 490.632 4.099 50 50 JIGA C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Br)o2)cc1 8456112 RITQIXDLUYCXJN-ZMOGYAJESA-N 485.294 4.286 50 50 JIGA COc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1 8809569 ZQMQJHJCYCNIRP-LGJNPRDNSA-N 455.559 4.284 50 50 JIGA CCCCCCCn1c(=O)c(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(O)c2ccccc21 2597764 RTLFEHLRRIVLST-PCLIKHOPSA-N 450.495 4.350 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccnc2)cc1 731240 YXKUSUZPHLHJPT-AFUMVMLFSA-N 468.307 4.226 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1 2544462 HGXWANMNVQMILT-KBVAKVRCSA-N 495.535 4.256 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(O)cc3)n2-c2ccccc2)cc1 4527555 PKXOYMKITGCCFD-YZSQISJMSA-N 473.558 4.281 50 50 JIGA O=C(CCCCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 8756577 QGEOHLJLKNGUAG-RPCRKUJJSA-N 496.524 4.224 50 50 JIGA O=C(NNC(=S)NCc1ccco1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 2793653 CYJIVYMUOQWIED-ZBFHGGJFSA-N 498.918 4.099 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 4282407 QCDLHWQGZXHIKB-RWPZCVJISA-N 486.553 4.115 50 50 JIGA O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc(Br)s2)n[nH]1 868044 CKZFZOYVPKVHEG-QGMBQPNBSA-N 454.147 4.427 50 50 JIGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1OCC 1472158 IOQYIVJJNPRFFK-DEOSSOPVSA-N 457.530 4.221 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccncc1 2531239 AHEWYZAATOAYRT-RDRPBHBLSA-N 465.465 4.284 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccn(Cc4ccccc4F)n3)cc2)cc1 4210503 CSVGPDHIJAWLIE-LQKURTRISA-N 456.477 4.362 50 50 JIGA CCCCCCCC1(CCCCCCC)c2cc(B(O)O)ccc2-c2ccc(B(O)O)cc21 198084388 WXRULSQSPSECSD-UHFFFAOYSA-N 450.237 4.034 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCC2 1118353 JVEMGZGNTYCPAQ-UHFFFAOYSA-N 479.583 4.279 50 50 JIGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1 864048 YBCOVZUBCIPSTO-PCLIKHOPSA-N 466.611 4.062 50 50 JIGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccccc1Cl 2553151 MCUBCFPHNDPGQA-MZJWZYIUSA-N 461.884 4.421 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 4229938 ILFIQMFQOQZGHD-JFLMPSFJSA-N 495.919 4.055 50 50 JIGA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NN=C1CCCCCCC1 1192496 GJHXHLDGHWPLAN-UHFFFAOYSA-N 458.540 4.007 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 2552951 NEQFUKUAWCFGSU-STBIYBPSSA-N 481.508 4.465 50 50 JIGA COc1ccc(N2CCN([C@H](C(=O)NNC(=O)Nc3cccc(Cl)c3)c3ccccc3)CC2)cc1 16384107 ZGIMPBMPVOTQQX-DEOSSOPVSA-N 493.995 4.065 50 50 JIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)c(O)c3)n2-c2ccc(C)cc2)cc1 1474674 CVYHRARPNHBGDR-VULFUBBASA-N 473.558 4.205 50 50 JIGA CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Cl)cc1 2584728 PQLQQZXQBCQGAI-LGJNPRDNSA-N 466.877 4.451 50 50 JIGA CC(C)(C)C(=O)N/C(=C/N1CCOCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618549 SQIZSVLJOFFGRN-VYIQYICTSA-O 473.577 4.274 50 50 JIGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)c(OC)c1 716498 SWMLAYNPURUBKR-XMMPIXPASA-N 473.529 4.373 50 50 JIGA CN(C)c1ccc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 8756447 KRFPFDWVGXSQDL-IABPKXMJSA-N 478.641 4.150 50 50 JIGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Br)cc2)C2=C1C[C@H](c1ccccc1)CC2=O 1176920 PCYCZGHJTBIWSK-JTSKRJEESA-N 463.379 4.420 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)sc2c1CC[C@H](C)C2 2520333 HRQZTLXBMMDPFX-ZVYABZQBSA-N 481.496 4.157 50 50 JIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(F)cc1F 1775977804 XFSXIRLDGMCJCD-OAQYLSRUSA-N 458.417 4.090 50 50 JIGA N#CC(C#N)=C1C=C2COc3ccccc3OCCOCCOc3ccccc3OCC(=C1)O2 685944528 KWHIUXCVTMEHEA-UHFFFAOYSA-N 458.470 4.074 50 50 JIGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccn3C)nnc2-c2ccc(Cl)cc2)cc1 863894 SVNPJKUOFDLUKJ-AFUMVMLFSA-N 464.982 4.477 50 50 JIGA COc1ccc(CCn2c(C)cc3c(c2=O)[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1OC 1472183 FDIUDKRHSPSDHI-QHCPKHFHSA-N 477.948 4.288 50 50 JIGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 4209603 TUDJAWWZHNMGQT-JFLMPSFJSA-N 458.543 4.166 50 50 JIGA O=C(N/N=C1\C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21)c1cc2ccccc2cc1O 2055987 SDSZXOTXZSTSSE-PNHLSOANSA-N 466.453 4.135 50 50 JIGA CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NNC(=O)c1csc3c1CC[C@@H](C(C)(C)C)C3)[C@H]2C(=O)O 239254641 YOESVLDFVRCLOS-XYKVOIJWSA-N 458.624 4.353 50 50 JIGA COc1cc(NC(=S)NNC(=O)c2ccc(COc3ccccc3Cl)o2)cc(OC)c1 20228134 QPEITUQDNXOXRS-UHFFFAOYSA-N 461.927 4.161 50 50 JIGA O=C(O)COc1ccc(/C=N/NC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 25539230 RICAPAVMWDZYMN-LGJNPRDNSA-N 489.311 4.391 50 50 JIGA Cc1ccc(-c2cc(C(=O)NNC(=O)NCc3ccc(CN4C[C@@H](C)C[C@H](C)C4)cc3)n[nH]2)cc1 916420655 RYQZTWOGFUEVRO-PMACEKPBSA-N 474.609 4.007 50 50 JIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 4296276 AKCHNSWOZZUMQB-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA C[C@]1(C(=O)N/N=C/c2ccc(COc3ccc(C#N)cc3)o2)CC1(Br)Br 2767503 ZBKOAKKNZYMYBP-KCBMDGGTSA-N 481.144 4.076 50 50 JIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4293306 AAGVMZPRDNQZCH-PVLQNKMRSA-N 467.865 4.385 50 50 JIGA O=C(N/N=C/c1c(Sc2nc3ccccc3s2)nc2ccccn2c1=O)c1ccccc1 9380247 AJKRIRNHEAHEHJ-ZVHZXABRSA-N 457.540 4.219 50 50 JIGA O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 32511895 DOKGYNBLCNTQCY-GATIEOLUSA-N 464.319 4.462 50 50 JIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 691487 NRLNWDGMWRSCCL-CYFREDJKSA-N 460.965 4.081 50 50 JIGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(Cl)cc1OCC(=O)OC 1141645 AKCHAGQLBIHYPU-HSZRJFAPSA-N 494.935 4.003 50 50 JIGA N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 2835781 LJURYYZYXSIQQE-AWEZNQCLSA-N 476.436 4.324 50 50 JIGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1cccc([N+](=O)[O-])c1 12560975 IWMDGQYBPZTGKR-DEDYPNTBSA-N 459.578 4.371 50 50 JIGA CCCCOC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 239105235 ICBNAAWMGADQMZ-WCVJEAGWSA-N 487.188 4.070 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)Cc2ccccc2)cc1 2552976 HFHGKNUOBVQLDQ-MFKUBSTISA-N 467.319 4.370 50 50 JIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 2543315 PTNGSGVKSYASCJ-JFLMPSFJSA-N 479.920 4.219 50 50 JIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1 2553728 RVNLXGXGIVBTJK-JFLMPSFJSA-N 473.920 4.290 50 50 JIGA CCCSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])ccc1OC(C)=O)N(C(C)=O)c1ccccc1-2 2821902 FFUBBPNQNNAYTI-QFIPXVFZSA-N 495.517 4.318 50 50 JIGA CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1 9331313 ZGGQNSGYMAMCAE-PMACEKPBSA-N 456.951 4.410 50 50 JIGA O=C(N/N=C/c1cccc(Br)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5344788 QEQIFIYYNYPZAH-HYARGMPZSA-N 458.337 4.014 50 50 JIGA Cc1cc(C)nc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)n1 22023152 IAVJLNPRDAUXAH-PDERCVKFSA-N 465.535 4.212 50 50 JIGA COc1ccc(OC)c(N2C(N)=C(C#N)[C@H](c3ccc(OC)c(O)c3)C3=C2CC(C)(C)CC3=O)c1 1064084 QORUHHUSWLHXCM-DEOSSOPVSA-N 475.545 4.359 50 50 JIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1209619 XGHNJUHVXYQUBV-LQKURTRISA-N 486.528 4.338 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)cc1 2542561 UGCNYQWNKBCUAN-WPWMEQJKSA-N 459.502 4.092 50 50 JIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2C)ccc1OCc1ccc(Cl)cc1 2544464 DMLRMVXVEBSJCD-CCVNUDIWSA-N 465.937 4.116 50 50 JIGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)c3ccccc3n2)c(OC)c1 1003501 FTCGMANTUWVKFZ-MZJWZYIUSA-N 455.470 4.412 50 50 JIGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)cc1 2543844 ABHXPEFACXQTIZ-WPWMEQJKSA-N 462.502 4.476 50 50 JIGA CC(C)(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Cl)c(Br)c1 2866160 NPHHBXFYMHKNHH-UHFFFAOYSA-N 498.830 4.115 50 50 JIGA COc1cc(NC(=O)NNC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)c(OC)cc1Cl 1467438591 DVIXGNLHYXNLAT-UHFFFAOYSA-N 456.808 4.324 50 50 JIGA O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4258551 OGUKHEQKUHLZAE-DHRITJCHSA-N 461.349 4.145 50 50 JIGA C[Si](C)(C)OC[C@H]1OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 169747786 VNGTZLYNGGLPIZ-WCXIOVBPSA-N 466.872 4.424 50 50 JIGA in-vitro COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1OC 731329 UJSFIKVYCVYLEF-WVOIHLJESA-N 484.508 4.260 50 50 JIGA CCn1c(SCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(OC)cc1 2337710 HMCLZWIALRSTJA-BRJLIKDPSA-N 463.485 4.235 50 50 JIGA O=C(N/N=C/c1ccncc1)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 20602326 HZYKHPFSSQRAPV-BCIXSOFISA-N 482.388 4.477 50 50 JIGA COc1c(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cccc1[N+](=O)[O-] 2173076 HLHLFMNICLBQJG-KGLIPLIRSA-N 458.106 4.442 50 50 JIGA CCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(OC)c(OC)c(OC)c3)c21 4126350 FTXWIYIEAMCSPS-FQEVSTJZSA-N 462.506 4.109 50 50 JIGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1cc(Br)cc(Br)c1O 12380326 DUFAUOMHAPCLPW-MGHGIJLISA-N 476.552 4.488 50 50 JIGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(Br)ccc2O)C(C#N)=C(N)O3)cc1 16286478 KYONINYCWYZKNF-QGZVFWFLSA-N 453.296 4.162 50 50 JIGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521864 KUBFGTMJFCEWSY-FSJBWODESA-N 493.328 4.466 50 50 JIGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3cccc(OC)c3)c(OCC)c1)C(C#N)=C(N)O2 16319782 MKCIBIJISBYMGQ-QFIPXVFZSA-N 474.517 4.207 50 50 JIGA COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c21 718383 HDSYOCHFRBAJBE-INIZCTEOSA-N 457.273 4.339 50 50 JIGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C1\C(=O)Nc2ccc(Br)cc21 12465755 PXNXTLODYLUMSU-UHFFFAOYSA-N 465.351 4.145 50 50 JIGA N#Cc1c(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)sc2c1CCCC2 4210128 USTYMSIVCDQKDR-JFLMPSFJSA-N 458.543 4.166 50 50 JIGA CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(F)(F)F)cc3)[C@@H]2C1 8773268 KKJDAOCBMTWJPY-RTBURBONSA-N 469.467 4.366 50 50 JIGA Cc1cc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(C(C)C)cc1Br 16134001 CPNBKVBVOWDQGG-ZVBGSRNCSA-N 450.289 4.024 50 50 JIGA COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c(OC)c1 1798401 XTQRULNNXYWONA-SRZZPIQSSA-N 460.606 4.090 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)cc3)cc2)cc1 4230045 LBHABODJOIWIGY-MUFRIFMGSA-N 493.947 4.228 50 50 JIGA COc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30843360 FRXRXNFZLRWHQE-MXAYSNPKSA-N 494.460 4.450 50 50 JIGA O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1ccccn1 2311641 DDADSFCGEXHYCW-AFUMVMLFSA-N 493.390 4.334 50 50 JIGA C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(C)s2)cc1 8456076 MBTOSOVRROIPBQ-BUVRLJJBSA-N 452.492 4.136 50 50 JIGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)nn2-c2ccccc2)cc1 25579608 LKUHEGNGOMYKTC-WPWMEQJKSA-N 454.486 4.098 50 50 JIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 4283238 VLYLZNGELAIOIE-MZJWZYIUSA-N 480.362 4.217 50 50 JIGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])s3)C3=C2CCCC3=O)c([N+](=O)[O-])c1 12447339 GBJXSLNTMFLXEY-LJQANCHMSA-N 451.464 4.178 50 50 JIGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 716763 DIGVYNUDFWWRCV-JVWAILMASA-N 469.453 4.496 50 50 JIGA Cc1cc2c(cc1Br)NC(=O)[C@@]21C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 753101 KBDCRKNKTJWHCF-LFPIHBKWSA-N 476.330 4.072 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 2543876 ORYBRBLVTKFIMI-BRJLIKDPSA-N 497.301 4.170 50 50 JIGA CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)=C\c1ccccc1 12342786 HZYYNLUGGRTLKP-KXOFKUHZSA-N 454.486 4.462 50 50 JIGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1OC 1194684 PHYYLRFWYBSGHU-CVKSISIWSA-N 460.559 4.344 50 50 JIGA COc1ccc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(I)c1 1234681 IPWYYUZALUOLFV-DNTJNYDQSA-N 479.101 4.136 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2521794 OXRGKSKOWFBYEN-RPPGKUMJSA-N 474.275 4.441 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 2544440 XFYHMHXEXMTGLH-WCMJOSRZSA-N 499.498 4.087 50 50 JIGA Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)cc1 15776836 VSXNEHVIQFNGMJ-SLMZUGIISA-N 481.339 4.421 50 50 JIGA COc1cc(OC)c(NC(=O)NNC(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)cc1Cl 1467437898 KGARNDBJSPXIFW-UHFFFAOYSA-N 456.808 4.324 50 50 JIGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc(F)c1 1145084 MMBXTBRXPWXDQB-IBGZPJMESA-N 485.313 4.426 50 50 JIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@H](C)Oc3cccc(Cl)c3)c2)cc1 2542772 MHWCBNYNNOLCJD-WBILBPDKSA-N 452.894 4.485 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(OC)cc3)cc2OC)cc1 4354632 UKICDEXMBMZLCS-OGLMXYFKSA-N 492.528 4.241 50 50 JIGA O=C(COc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 1234590 VNHFKPKGSXCMCY-RWPZCVJISA-N 468.465 4.317 50 50 JIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1OC 2531286 HEEQTQLPOOTPIT-OJRIZPGDSA-N 460.486 4.095 50 50 JIGA O=C(N[C@@H](C(=O)NN=Cc1ccc(Cl)cc1Cl)c1nnc(O)c2ccccc12)c1ccccc1 252679110 HXTQGFHDPALTHP-OAQYLSRUSA-N 494.338 4.264 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)Cc2ccccc2)cc1OC 2552571 BRDNTUMVGBWHCI-CVKSISIWSA-N 497.345 4.378 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 2552900 ZLKJKLYQRSBPLN-OGLMXYFKSA-N 467.481 4.156 50 50 JIGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 2571667 GFFKHGCWLOKJIV-VULFUBBASA-N 452.894 4.405 50 50 JIGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c1 4302424 RETSDXNWWBOWLJ-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA CN(C)c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1Br 16676130 OYQFYRYZKSHNGD-VULFUBBASA-N 477.362 4.134 50 50 JIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 4282126 SODAIQDMDDVZTC-UXHLAJHPSA-N 487.556 4.273 50 50 JIGA Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)c1cccc(Br)c1)C(F)(F)F 16675612 ZRWGKHKXDQLTBF-LFVJCYFKSA-N 467.245 4.345 50 50 JIGA CCN(CC)C(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)OCc2ccccc2)=C(C)N1 20170746 DPEMFYNWADJESJ-HSZRJFAPSA-N 465.575 4.321 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccnc2)cc1OC 25783423 RMTDTIYWODNBPO-LQKURTRISA-N 455.470 4.235 50 50 JIGA COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1cccc(Br)c1 2565244 NUEWWFCEXVJGFB-MFKUBSTISA-N 467.319 4.370 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(OC)cc3)cc2OCC)cc1 4302617 MJCQMRSJSLUPAC-OGLMXYFKSA-N 492.528 4.241 50 50 JIGA COc1c(Br)cc(Br)cc1/C=N\NC(=O)COc1ccc(C)cc1 23549916 RTDODHMBHWEVMU-UKWGHVSLSA-N 456.134 4.058 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])cc2)cc1 2543097 HLLFMYDPXLOKAS-GNYKCMPYSA-N 477.473 4.130 50 50 JIGA CCCSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])ccc1OC(C)=O)N(C(C)=O)c1ccccc1-2 2821901 FFUBBPNQNNAYTI-JOCHJYFZSA-N 495.517 4.318 50 50 JIGA N#CC1=C(N)OC(c2ccccc2)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 16477932 OSDYTTFIBDCOND-NRFANRHFSA-N 459.483 4.245 50 50 JIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 2521822 BWKFUWBBPSBYGF-OGLMXYFKSA-N 467.481 4.156 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc2c(c1)OCO2 2530373 FQOHMEQKQJXWSC-WYMPLXKRSA-N 467.275 4.161 50 50 JIGA CCc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F 2793857 CFOXQAPYYJIVAL-RBUKOAKNSA-N 470.549 4.440 50 50 JIGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360133 WNGXBMLSGZVOBK-PVLQNKMRSA-N 467.865 4.385 50 50 JIGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c1 1798386 QSRORKJILKUYNN-SRZZPIQSSA-N 460.606 4.090 50 50 JIGA N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 12429096 BIJNYMBFNALRPO-LJQANCHMSA-N 498.568 4.419 50 50 JIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)cc1CN1CCOCC1 16319626 AYAJYYYEGZBUQC-VWLOTQADSA-N 493.567 4.289 50 50 JIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1Cl 2530419 CYIUALGRHFNZJD-LSHDLFTRSA-N 471.138 4.410 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4259867 HGPAIOMQMRETOH-CVKSISIWSA-N 465.893 4.047 50 50 JIGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(OC)c1OC 5403289 QATBZMTWAOELSC-JFLMPSFJSA-N 490.585 4.353 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2518560 GJOCWEDVPNSIDM-DHRITJCHSA-N 456.285 4.301 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 2542736 JIUNZNOOZSINNG-GNYKCMPYSA-N 477.473 4.130 50 50 JIGA CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc1 987223 GHRZBLBUTHVYIU-QGZVFWFLSA-N 450.296 4.016 50 50 JIGA Cc1ccc(S(=O)(=O)[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)Cl)cc1 3129958 FZMROZRPJVDYMI-MRXNPFEDSA-N 451.169 4.091 50 50 JIGA COc1ccc(C/C(=N\NC(=O)c2cc(C)oc2C)c2ccc(OC)c(OC)c2)cc1OC 25558958 MLWAQFCIBUVGFR-LHLOQNFPSA-N 452.507 4.308 50 50 JIGA O=C(N/N=C/c1cccc(OCc2cccc(Br)c2)c1)C(=O)Nc1ccc(F)cc1 4229760 OPNPSZPKBPDPMZ-DHRITJCHSA-N 470.298 4.256 50 50 JIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1Cn1nc(C)cc1C 2792338 WNFJXNFVOWRYLC-RUZDIDTESA-N 466.545 4.269 50 50 JIGA Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 2836390 DLQPZKYEELNUHM-HNNXBMFYSA-N 456.911 4.267 50 50 JIGA C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)c(OC)c1 2542518 UGXFCCPWCXOORH-OGLMXYFKSA-N 458.514 4.480 50 50 JIGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2544172 MELYUQSOIPWZPW-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA O=C(NNC(=S)NC[C@H]1CCCO1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2852984 UFXRWGAHMDYNQR-CQSZACIVSA-N 475.401 4.497 50 50 JIGA COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1OC 1111412 PIHJZQIMOKAQBS-HNNXBMFYSA-N 459.325 4.136 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3OC)cc2)cc1 4287577 PBWPCHBRACKKMI-MTDXEUNCSA-N 489.528 4.182 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OC(=O)c1ccccc1 657961 UAJQKJJIYRGZAB-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 1204960 HZGFQTPPZKDSLG-JFLMPSFJSA-N 475.492 4.436 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 3067290 UCGQCCBHUMOSKF-CVKSISIWSA-N 451.910 4.407 50 50 JIGA CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)=C\c1ccccc1 12342788 ZLKJFDMRPNMYGE-AJKJPFBOSA-N 454.486 4.462 50 50 JIGA O=P(c1ccccc1)(c1ccccc1)N1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 101137726 OSIDBRKZFWLMLV-PROCJTSXSA-N 455.130 4.289 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 257345435 CBGUOGMQLZIXBE-SJVVCINLSA-N 466.977 4.103 50 50 JIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2584966 JZAASRSKNDZRPB-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)c1 867686 SSNXDBRHYALUMU-JVWAILMASA-N 456.502 4.437 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1 2077037 GRWXUQTUCYPCDB-VULFUBBASA-N 452.894 4.405 50 50 JIGA COc1c(Br)cc(Br)cc1/C=N\NC(=O)CNc1ccccc1C 16667953 SYENSIQYCVCEPK-NKVSQWTQSA-N 455.150 4.091 50 50 JIGA CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 71788003 LYUXBTAUKJETMS-KRWDZBQOSA-N 467.519 4.089 50 50 JIGA in-vitro CCOc1c(I)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC 1216194 JDRQMEKXIMHMIT-OEAKJJBVSA-N 489.313 4.253 50 50 JIGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C1\C(=O)Nc2ccccc21 1199816 XTUDNPTZFIPZCD-UHFFFAOYSA-N 488.960 4.152 50 50 JIGA O=C(Cc1ccccc1)N/N=C/c1c(Br)cc(Br)c(O)c1Br 2854453 UILRCPFMXROUDK-UFWORHAWSA-N 490.977 4.373 50 50 JIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 8404680 GXHMLNCEYAKKKJ-OAQYLSRUSA-N 459.462 4.444 50 50 JIGA COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1Cl 13563269 YGCDVBTUCATVIS-LZYBPNLTSA-N 484.343 4.288 50 50 JIGA COc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)c(OC)c1OC 2763649 QQQXTXCKMPAFAJ-QFIPXVFZSA-N 490.516 4.234 50 50 JIGA COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCC(=O)O 16319788 SNLDGBZXNCHARV-MLPAPPSSSA-N 469.662 4.481 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 2520018 IZPHRRNGZGPFDL-JVWAILMASA-N 479.920 4.437 50 50 JIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 4283494 GLDMMRYDLDTILH-AFUMVMLFSA-N 466.335 4.425 50 50 JIGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccc(Cl)c(Cl)c1 22924851 BLSBUZAGARPYFQ-MFKUBSTISA-N 453.801 4.305 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2)cc1 4327182 XNYVWLHUSFEESU-MTDXEUNCSA-N 473.529 4.482 50 50 JIGA COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc1OC 1111411 PIHJZQIMOKAQBS-OAHLLOKOSA-N 459.325 4.136 50 50 JIGA COc1ccc(/C=N/NC(=O)[C@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)c(C(=O)O)c1OC 9730987 BXJXXEQZPGKTQC-XFVAPVIWSA-N 478.549 4.339 50 50 JIGA N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@@]12C(=O)N(Cc1cccc(Cl)c1)c1ccccc12 12376681 ZWYZKMSQWVTOFI-NDEPHWFRSA-N 494.938 4.150 50 50 JIGA biogenic O=C(N/N=C/c1cccc(Br)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 2942441 XQDXYRKKYYWTFF-NWZXOKCJSA-N 492.329 4.099 50 50 JIGA COc1ccc(-c2cc(C(=O)NNC(=S)NCc3ccco3)c3cc(C)ccc3n2)cc1OC 1118008 HPCPIAVDTVOPPZ-UHFFFAOYSA-N 476.558 4.130 50 50 JIGA COc1ccc(C(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cc1OC 1192316 IQLQVQWPKMRYEY-ROMGYVFFSA-N 494.345 4.147 50 50 JIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1 4282092 RXCAJIZOVJMTMT-JVWAILMASA-N 479.558 4.026 50 50 JIGA C/C(=N\NC(=O)CN1CCOCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 227013910 HDUNHSUFFHKRHY-LENYYSRCSA-N 464.997 4.339 50 50 JIGA Cc1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n(-c2ccccc2)n1C 6148871 GIFMKVOAOPTMQY-JXAWBTAJSA-N 469.457 4.198 50 50 JIGA C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 12843311 PXXGNYMNOMZWFK-XIEYBQDHSA-N 455.967 4.384 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2)sc2c1CC[C@H](C)C2 20568575 ODOBEFYAEOENCE-LBPRGKRZSA-N 481.640 4.050 50 50 JIGA O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccccc1 43190758 SMYIBBLKGCGOLU-SIMFPYGHSA-N 494.503 4.309 50 50 JIGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1 102282182 AEXUJDPWNCCAJA-OVVQPSECSA-N 461.603 4.417 50 50 JIGA COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@H]1c1ccc(C)cc1 220953665 IJKLOJUDTQLFMD-NHCUHLMSSA-N 483.977 4.067 50 50 JIGA O=C(NNC(=S)NCc1ccco1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 2793650 CYJIVYMUOQWIED-GOEBONIOSA-N 498.918 4.099 50 50 JIGA O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)C(=O)Nc1ccc(F)cc1 4229820 HKCISMPQIUPUHI-DHRITJCHSA-N 470.298 4.256 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)sc2c1CC[C@@H](C)C2 4282048 NPBAUKHVGPSWEE-BPDROILWSA-N 482.389 4.445 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(I)c1O 627133 AGFCGBBWIFNLGJ-QGZVFWFLSA-N 464.303 4.133 50 50 JIGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc(OC)c1O 1261283 CWFVNMXTVSOGCE-VULFUBBASA-N 476.558 4.050 50 50 JIGA Cc1ccc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1I 2850847 WXXDZNAZWCXAFN-UHFFFAOYSA-N 486.309 4.107 50 50 JIGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 4326761 FIAOOHFFTQAPEZ-RDRPBHBLSA-N 497.555 4.426 50 50 JIGA Cc1nc2ccccn2c1C(=O)NNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2ccccc2c1 726156605 KUKYUZLIFQCHNH-XWGVYQGASA-N 495.583 4.030 50 50 JIGA CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)cc1 1114286 ZHZINWVTAVAZJQ-SFHVURJKSA-N 469.950 4.227 50 50 JIGA CC(C)(C)c1cc(/C=N/NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O 2141372 DVOAWISTYJJOFS-LGJNPRDNSA-N 469.542 4.167 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1 2584708 JHRBFDBWMMVWSK-VULFUBBASA-N 497.891 4.395 50 50 JIGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccn(Cc3ccccc3F)n2)cc1 4210878 VGPJQOJSWAFBTI-PEKWJSQMSA-N 468.488 4.453 50 50 JIGA Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 1234669 QMRUODMWXMGRTR-DHRITJCHSA-N 467.865 4.305 50 50 JIGA COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 1474877 ZMMQUGVMBXFVIZ-WGOQTCKBSA-N 457.559 4.494 50 50 JIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc(OC)c1OC 1457520 RHFPXOSMMOQROA-VULFUBBASA-N 468.893 4.349 50 50 JIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c1 2529567 WHCHPCPHYKSSKY-XODNFHPESA-N 484.339 4.401 50 50 JIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1 2544304 XSKIXJPPAWUMAT-DHRITJCHSA-N 456.285 4.301 50 50 JIGA CCCc1n[nH]c2c1[C@H](c1ccc(OC)c(CSc3nnc(C)s3)c1)C(C#N)=C(N)O2 16319351 IWAUAUJQZKGSTJ-QGZVFWFLSA-N 454.581 4.041 50 50 JIGA COc1ccc(CCn2c(C)cc3c(c2=O)[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)cc1OC 1472184 FDIUDKRHSPSDHI-HSZRJFAPSA-N 477.948 4.288 50 50 JIGA Nc1c(Br)cc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1O 4231485 GVQRIJKMTZRLPQ-KPSZGOFPSA-N 491.965 4.026 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(F)cc1 2521212 GEKMMPRFSZWFPW-RPPGKUMJSA-N 474.275 4.441 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 2544083 XPOMQNZFVFTGSL-STBIYBPSSA-N 497.507 4.165 50 50 JIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1OC 8901514 YXWXOXAPNXGADI-JVWAILMASA-N 456.502 4.437 50 50 JIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 4330449 JAADTEKPKRPTCL-AFUMVMLFSA-N 466.335 4.425 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3OC)n2-c2ccccc2)cc1 1250757 YOZKINAIKDYDFP-WGOQTCKBSA-N 473.558 4.194 50 50 JIGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)c1 4287619 ONNSGPJZQQNHES-VULFUBBASA-N 494.345 4.374 50 50 JIGA C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 8453995 WUBNARRNGPTPLM-ZMOGYAJESA-N 472.910 4.481 50 50 JIGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(NC(=O)C2CCC2)cc1 8455914 NKIMFHQTGOLIHY-CBVHTYNASA-N 471.193 4.162 50 50 JIGA CCc1c(C)sc(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)c1C(=O)OC 20191502 FECWDCINIMONFG-UHFFFAOYSA-N 490.047 4.449 50 50 JIGA N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 12428883 CKURAXPXBXCSIC-IBGZPJMESA-N 498.568 4.419 50 50 JIGA CCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 2581513 RMRMPOOKTHGJOQ-BUVRLJJBSA-N 457.939 4.303 50 50 JIGA CCn1ncc(NC(=S)NNC(=O)CC23C[C@@H]4C[C@H](C2)CC(c2c(C)noc2C)(C4)C3)c1C 2802421 VSBUNMFQMDPJCK-ISVJADKWSA-N 470.643 4.062 50 50 JIGA COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)sc(C(N)=O)c1C 20294891 XGHUJSQOYPKXGZ-GZTJUZNOSA-N 493.516 4.206 50 50 JIGA COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@@H]1c1ccc(C)cc1 220953597 IJKLOJUDTQLFMD-LEWJYISDSA-N 483.977 4.067 50 50 JIGA C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc(I)cc1 1848442102 FGCFPACINHBVEU-BHGWPJFGSA-N 489.235 4.445 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc([N+](=O)[O-])cc1 4283387 JPOLXPFSXUZCLD-YDZHTSKRSA-N 468.263 4.340 50 50 JIGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)C(C#N)=C(SCC(=O)Nc2cc(C)on2)N1 13190252 LSBGFNZQRGIQRZ-QHCPKHFHSA-N 486.557 4.085 50 50 JIGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1 1252201 SVZGWMKPRLEYSI-CVKSISIWSA-N 460.559 4.344 50 50 JIGA COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(O)c3)nnc2-c2ccc(C)cc2)cc1 1474556 AMQLHKGUCSUSNU-CVKSISIWSA-N 473.558 4.199 50 50 JIGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc(Br)c2)c1 2520136 HDRNIZQJMGKSJA-AFUMVMLFSA-N 479.334 4.099 50 50 JIGA CCCCOc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1OC 252441431 VDURDIKZLUYHQM-UHFFFAOYSA-N 490.585 4.463 50 50 JIGA Cc1ccc([N+](=O)[O-])cc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])s2)C2=C1CCCC2=O 12462359 QDCXTIXLWLVILH-LJQANCHMSA-N 451.464 4.178 50 50 JIGA Cc1cccc(NC(=S)NNC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@@H]3C(F)F)c1C 2793773 NALNYNJXMDZVMN-RBUKOAKNSA-N 470.549 4.494 50 50 JIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 4355555 XANNWYKBYNGGGL-WKULSOCRSA-N 495.963 4.206 50 50 JIGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc(Br)s2)n[nH]1 868140 DHSIHAOMUUHTIT-QGMBQPNBSA-N 454.147 4.427 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)n2-c2ccc(C)cc2)cc1 1474478 YMLGGWZWMPQTHK-CVKSISIWSA-N 473.558 4.199 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Cl)cc1 2506402 MJTPOXCSDFQIMP-BRJLIKDPSA-N 452.850 4.060 50 50 JIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 2520226 OACLZAOFHOHQBW-STBIYBPSSA-N 496.523 4.285 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1 4259508 RJJJTRTVZVIEOQ-WGOQTCKBSA-N 477.473 4.132 50 50 JIGA COc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)c(OC)cc3OC)n(-c3ccccc3)n2)cc1 19800371 AETUVIQVHHVBEF-OGLMXYFKSA-N 486.528 4.338 50 50 JIGA Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3cc(Br)cc([N+](=O)[O-])c3O)c2)cc1 38180031 DPAAQQYDVJDYKG-WYMPLXKRSA-N 497.305 4.388 50 50 JIGA COc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2544376 QGDXATQIAXCCIP-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@@H]2C(=O)OC)cc1 9331317 ZGGQNSGYMAMCAE-VQTJNVASSA-N 456.951 4.410 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 4282958 WDVGBHAJBXKADS-RWPZCVJISA-N 457.921 4.073 50 50 JIGA N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12 1421859 NJKYYMHKZYMWJY-QHCPKHFHSA-N 450.420 4.116 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OC(=O)c1ccc(Cl)cc1 2531651 JFWLMHDCCCJEID-JFLMPSFJSA-N 495.919 4.055 50 50 JIGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(Br)cc2)nnc1-c1ccccc1 19800717 KTCHROMNIAQTOR-HYARGMPZSA-N 458.385 4.360 50 50 JIGA O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)cc1)c1ccc2ccccc2n1 1875254008 DDBSMZKMLLTAON-YAGSLNJISA-N 472.508 4.311 50 50 JIGA COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c(OC)c1 1798476 KIFUPMDBFDISIV-SSDVNMTOSA-N 490.632 4.099 50 50 JIGA CCOc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 4232063 LPVCNBRWUFEIQB-BUVRLJJBSA-N 457.939 4.303 50 50 JIGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 4231857 MFKMMMNRUMVMPU-YDZHTSKRSA-N 472.910 4.121 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl 889136 ANNJLBFWPGMCBJ-DHRITJCHSA-N 483.864 4.005 50 50 JIGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccc(C(=O)O)cc1 2357350 XTFUMZYZUJTXIX-ZVBGSRNCSA-N 479.008 4.424 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2OC)cc1 4283434 KNYUKHJSLGMFPN-OGLMXYFKSA-N 489.528 4.100 50 50 JIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2CC(C)(C)CC3=O)s1 12401671 ARBWOMCWLRMHTO-XMMPIXPASA-N 492.630 4.086 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2OCC)cc1 2531742 USJRZHRIFLCUKU-WPWMEQJKSA-N 462.502 4.476 50 50 JIGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 2687539 NCWVNDKMMZHKAB-UHFFFAOYSA-N 471.904 4.395 50 50 JIGA CC(C)CC(=O)N[C@H](Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)C(Cl)(Cl)Cl 6133931 LTFXPNRRJKTFQV-GZQNEBGJSA-N 486.783 4.394 50 50 JIGA O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1cccnc1 2280516 BTJUOURAMRHVKI-AFUMVMLFSA-N 493.390 4.334 50 50 JIGA Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)cc1 1775975470 BIUNOCSSJRSPJW-JOCHJYFZSA-N 454.454 4.259 50 50 JIGA COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 731349 BPQWHHSUIBNCFT-ZUICHYAESA-N 473.312 4.405 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 2518519 YOHOHVXZWAIISS-LGJNPRDNSA-N 455.873 4.156 50 50 JIGA C=CCOc1ccccc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 4232084 LMILIOIDHBZHRU-PCLIKHOPSA-N 469.950 4.470 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2)c1 2544207 PTEUIVAEUHIJNZ-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)C(C#N)=C(SCC(=O)Nc2cc(C)on2)N1 13190257 LSBGFNZQRGIQRZ-HSZRJFAPSA-N 486.557 4.085 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc(OC)c2)cc1 2543957 QPUJZKXSHHUSPB-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)sc(C(N)=O)c1C 20294883 CQLSHURGWGFECW-GZTJUZNOSA-N 493.516 4.206 50 50 JIGA CC(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)cc1 1857798432 GVENNEDEWIVYDQ-HSZRJFAPSA-N 482.464 4.153 50 50 JIGA Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1 1170624 JQBOVGWUYMCMQI-BJRSOBTISA-N 461.587 4.494 50 50 JIGA COc1c(Br)cc(/C=N/NC(=O)CNc2ccccc2C)cc1Br 3136451 AMZAGBOSMFCRPB-ZVBGSRNCSA-N 455.150 4.091 50 50 JIGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 1241319 CXIHFXDNEOAKRD-WGOQTCKBSA-N 457.559 4.494 50 50 JIGA Cn1c(SCC(=O)N/N=C/c2c(O)ccc3cc(Br)ccc23)nc2ccccc21 1205119 UJTPZLPILUGUMJ-FOKLQQMPSA-N 469.364 4.437 50 50 JIGA CC1(C)[C@@H](O)[C@@]2(Br)CC[C@@]1(C(Br)Br)[C@H]2Br 100097908 MXWOGZXJHDUNLB-FNIZFGCXSA-N 469.837 4.180 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2[nH]c3ccccc3c2Cl)sc2c1CCCC2 25584116 RIDZWHBZYVWZSJ-BHGWPJFGSA-N 472.954 4.027 50 50 JIGA CCn1c(SCC(=O)N/N=C/c2ccc(Br)s2)nnc1-c1ccccc1 864018 QFHULWIWAMWZKZ-VXLYETTFSA-N 450.387 4.031 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2OCC)cc1 4296139 VBPHFRVMPZARMP-OGLMXYFKSA-N 489.528 4.100 50 50 JIGA Cc1sc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)nc1-c1ccc(Cl)cc1 239175758 QPKBIZLUAQVVDV-DIBLEFCOSA-N 467.772 4.281 50 50 JIGA Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 705282 PSQFYJVSDDCEKO-NSKAYECMSA-N 496.314 4.386 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)sc2c1CC[C@@H](C)C2 4259473 DFABZSGZGUEABC-NXYZXBHKSA-N 463.559 4.292 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2)cc1OC 2530470 LJURVHAEVONTIR-JFLMPSFJSA-N 462.502 4.069 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1 2543068 DGKZHDHMNXJUPQ-PHGNHDHESA-N 464.905 4.497 50 50 JIGA CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(I)c1O 2903505 MPVUZIXHPGSRLT-YDZHTSKRSA-N 474.298 4.242 50 50 JIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 4287539 AJOLFHWSLRYSMS-AFUMVMLFSA-N 466.335 4.425 50 50 JIGA Cc1cc([N+](=O)[O-])ccc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])s2)C2=C1CCCC2=O 12445882 SZSGWQIZDMLYFZ-LJQANCHMSA-N 451.464 4.178 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)cc1 2391524 BBRTWYHUXBKYLP-JVWAILMASA-N 479.920 4.437 50 50 JIGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2532089 BENWZCFTRGUAKF-KVSWJAHQSA-N 488.302 4.232 50 50 JIGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2542441 NKMYUYWOODJDSK-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA O=C(Cc1cccc2ccccc12)NN=C1C=CC(=NOC(=O)c2ccc([N+](=O)[O-])cc2)C=C1 3124269 GJJCYGMVKMYJPN-UHFFFAOYSA-N 454.442 4.102 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)[C@H](C)Oc2cccc(OC)c2)sc(C)c1-c1ccccc1 20294067 LVVSYNOAGFDHQF-AWEZNQCLSA-N 499.614 4.304 50 50 JIGA Cc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 2420818 BMGGEFKEPILKEM-PGGUUEOZSA-N 453.498 4.106 50 50 JIGA COc1nn([C@@H](C)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1[N+](=O)[O-] 20311340 IOOAWCLRTKRMLV-VRVUXBDFSA-N 492.319 4.397 50 50 JIGA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)CSCc1ccccc1 20220752 LSGWATGFJMUFJO-UHFFFAOYSA-N 471.629 4.453 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3F)n2-c2ccccc2)cc1 1474937 DAXPLJUSBGHBRY-CVKSISIWSA-N 461.522 4.324 50 50 JIGA CCOc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c1O 1798373 HBKGBEACRSRQRP-SRZZPIQSSA-N 460.606 4.177 50 50 JIGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nccs2)N1 8996612 ODSNJLZUDNTTAU-FQEVSTJZSA-N 477.571 4.443 50 50 JIGA CCOc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 1461518 HLAKLRLRVLQHCS-JMGYQRAPSA-N 478.556 4.330 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(O)c3)n2-c2ccc(C)cc2)cc1 1474490 LXSNUGOOHFPTQX-CVKSISIWSA-N 473.558 4.199 50 50 JIGA COC(=O)c1sc2cc(NC(=S)NNC(=O)c3cn(C)c4ccccc34)ccc2c1Cl 2853935 PNDHEMBQWFDYGF-UHFFFAOYSA-N 472.979 4.464 50 50 JIGA Cc1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2[C@H](Br)C[C@@]3(C)Br)cc1 101137613 BKSBXIIEJGSZRP-QKPAOTATSA-N 451.224 4.085 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2OCC)cc1 2531867 HYMWRBBKVVKFGI-WPWMEQJKSA-N 462.502 4.476 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3)cc2OCC)cc1 4354206 JHLPMDAYGDMCSY-MTDXEUNCSA-N 489.528 4.182 50 50 JIGA O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1 2597739 MJKHQAZPTIIGFV-UWMSMEEPSA-N 492.329 4.157 50 50 JIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 4287118 OOARWAURXMRRLA-KBVAKVRCSA-N 499.546 4.347 50 50 JIGA CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c2C)sc2c1CCCC2 1091295 JWFUCIAGEXVVCT-UMSHPIDHSA-N 481.618 4.413 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2518576 BJRJPBHGLUGHOO-FOKLQQMPSA-N 462.314 4.363 50 50 JIGA COc1c(Br)cc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1Br 3136469 NMCPXGNJXNGHHF-DNTJNYDQSA-N 476.552 4.403 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/C(C)=C\c2ccccc2)sc2c1CC[C@@H](C)C2 43639808 ZQPIMJCFQFITOW-ZDFKNVSXSA-N 453.564 4.194 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc(Br)c1OC 1086777 SHEGEERTKCEYKY-FOKLQQMPSA-N 477.746 4.128 50 50 JIGA C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 2070356 LKDAYIGZQIMUMS-OVVQPSECSA-N 477.586 4.214 50 50 JIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4372880 DLCFOBHXPKCUQM-PVLQNKMRSA-N 467.865 4.385 50 50 JIGA Cc1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2[C@H](Br)C[C@]3(C)Br)cc1 101137617 BKSBXIIEJGSZRP-QXSJWSMHSA-N 451.224 4.085 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 1474933 AWBHWCIGDUWIQX-MFKUBSTISA-N 488.529 4.094 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2OC)cc1 4287612 KZUGKRMGRQFFJO-WPWMEQJKSA-N 462.502 4.232 50 50 JIGA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 8687324 CTGBYKAHHPGOAN-OGLMXYFKSA-N 483.528 4.204 50 50 JIGA COc1ccc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(OC)cc2)cc1 25577838 QNOVMQMSHUTQKF-BFNWXZRRSA-N 452.555 4.035 50 50 JIGA COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(C)cc1 1113717 QJOOOCZRQKFRQI-LEWJYISDSA-N 483.977 4.067 50 50 JIGA Cc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@]2(C)c2ccccc2)C(C#N)=C(N)Oc2[nH]nc(C)c21 10035286 TWRHJGJERGJLIP-WUFINQPMSA-N 465.557 4.234 50 50 JIGA CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 16789653 UNHSDALJTNIPSY-WGOQTCKBSA-N 458.543 4.027 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OC(=O)c1ccccc1 2531273 QOKUSLZPIDUTRT-CVKSISIWSA-N 465.893 4.047 50 50 JIGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 4282821 YIKLDSNISOVHLV-MZJWZYIUSA-N 461.884 4.421 50 50 JIGA Cc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21C(C#N)=C(N)Oc2[nH]nc(C)c21 10035290 TWRHJGJERGJLIP-IZLXSDGUSA-N 465.557 4.234 50 50 JIGA CSCC[C@H]1NC(=O)c2cc(NC(=O)CCCC[C@H]3CCSS3)ccc2NC1=O 206254506 OXEKXDHTHXACQZ-WMLDXEAASA-N 453.655 4.143 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 257345434 CBGUOGMQLZIXBE-LSJJRCJASA-N 466.977 4.103 50 50 JIGA COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OCc1ccc(Cl)cc1 1471966 NTOQNZSYIVZBNJ-NRFANRHFSA-N 450.878 4.407 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1 2542741 PEALEGGFCLXUIE-CVKSISIWSA-N 452.894 4.487 50 50 JIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(O)c3)n2-c2ccc(C)cc2)cc1 2366487 CIYYIXMBMOFZQJ-CVKSISIWSA-N 457.559 4.499 50 50 JIGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@]21C(=O)N(Cc2ccccc2F)c2ccccc21 12413815 CMNYKENWYPEWNR-AREMUKBSSA-N 489.528 4.292 50 50 JIGA CO[C@@]1(c2cc(OP(=O)(O)O)ccc2Cl)OO[C@@]12[C@H]1C[C@H]3C[C@@H]2C[C@](Cl)(C3)C1 257355155 NOXRGRGCSIAHSL-ICVRIVBFSA-N 451.239 4.129 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1OC 2530292 KWGJZLFTDISXER-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA COc1cccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)c1OC 1143339 WYHBYKLHCXTFHG-MRXNPFEDSA-N 471.966 4.376 50 50 JIGA Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)C(C#N)=C(N)O2 1145981 MSSHPVPRZLALLL-LJQANCHMSA-N 455.287 4.417 50 50 JIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2542787 RMZNCVQNZJUURJ-KBVAKVRCSA-N 495.535 4.256 50 50 JIGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 4259291 SEOODSLNZVEWNS-AFUMVMLFSA-N 483.318 4.206 50 50 JIGA CCCc1n[nH]c2c1[C@H](c1cc(OCC)c(OC(=O)c3cccs3)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 8854876 MWEXAJOEYYIVIR-GOSISDBHSA-N 495.517 4.168 50 50 JIGA COc1ccc(C(=O)NN/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 1317698915 UGUUTFZXRJMKCC-KGENOOAVSA-N 481.430 4.177 50 50 JIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc32)cc1OC 1857799586 MOJXKIKKVPDFJV-QHCPKHFHSA-N 498.944 4.343 50 50 JIGA COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1O 16677416 KHDJNBKFORFENI-WDZFZDKYSA-N 454.651 4.204 50 50 JIGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@H]1c1ccc(C)cc1 220953539 IJKLOJUDTQLFMD-RTWAWAEBSA-N 483.977 4.067 50 50 JIGA N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1ccc(Br)cc1 2458415 AJTRFIUIZNLEAC-MRXNPFEDSA-N 460.328 4.299 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccnc1 2544395 BVAFQONGGHVCHS-WYMPLXKRSA-N 458.699 4.481 50 50 JIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1C 4260910 KCTBUFRXUIFHTD-SSDVNMTOSA-N 450.720 4.065 50 50 JIGA CO[C@]1(c2cc(OP(=O)(O)O)ccc2Cl)OO[C@]12[C@H]1C[C@H]3C[C@@H]2C[C@](Cl)(C3)C1 257355157 NOXRGRGCSIAHSL-NJROYSTDSA-N 451.239 4.129 50 50 JIGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccc(O)c(O)c1 1475043 ODUALPOOXDHRHL-DHRITJCHSA-N 479.949 4.241 50 50 JIGA C/C(=N\NC(=O)COc1ccc(Br)cc1C#N)c1ccc(Br)s1 12343139 MTJHYULRBBICLZ-DJKKODMXSA-N 457.147 4.064 50 50 JIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2[C@@H]1c1ccncc1 1857799988 TZASEHPBMGPATJ-FQEVSTJZSA-N 473.432 4.086 50 50 JIGA O=C(NNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 731184492 YTSYAKHQTUKVFK-FTJBHMTQSA-N 488.551 4.106 50 50 JIGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 1215635 FEIVZKJASAFMKB-JHAVZTMOSA-N 458.268 4.134 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)c1 2531659 PMWUVGHUGKMRBH-VULFUBBASA-N 494.345 4.374 50 50 JIGA Cc1cc(C(C)(C)C)cc(C(=O)NN/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)c1O 13471707 AWSBOQLJBWBDQJ-UHFFFAOYSA-N 465.575 4.068 50 50 JIGA CCCCOC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1 169618390 ICBNAAWMGADQMZ-FZKCQIBNSA-N 487.188 4.070 50 50 JIGA O=C(NNC(=S)NCc1ccco1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 2793652 CYJIVYMUOQWIED-HOCLYGCPSA-N 498.918 4.099 50 50 JIGA COc1ccc2ccccc2c1/C=N/NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 22077442 KANJPRBGNNAAJC-QDWCBANGSA-N 493.519 4.498 50 50 JIGA CN(C)S(=O)(=O)c1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccccc4)nn23)cc1 1857800839 VVZVOQUEHJRMDL-UHFFFAOYSA-N 462.362 4.185 50 50 JIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 2520409 AXQDWSXQRKKIKC-WKULSOCRSA-N 498.461 4.445 50 50 JIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2531331 VLODPIRIEIBZOI-UVHMKAGCSA-N 456.329 4.453 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 4259091 GDQFECGGBMBUJC-IPPBACCNSA-N 475.911 4.212 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1OC 2584804 WHXCLWUYJULEPC-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA CCCc1n[nH]c2c1[C@H](c1ccc(OC(=O)c3cccc(OC)c3)c(OCC)c1)C(C#N)=C(N)O2 16319780 MKCIBIJISBYMGQ-JOCHJYFZSA-N 474.517 4.207 50 50 JIGA Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(F)cc3)c(Br)c1)C(C#N)=C(N)O2 1145982 MSSHPVPRZLALLL-IBGZPJMESA-N 455.287 4.417 50 50 JIGA C=CCOc1cccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c1 4232017 WNWPAECUJPPCSR-PCLIKHOPSA-N 469.950 4.470 50 50 JIGA COc1ccc(CC(=O)Nc2cccc(/C(C)=N/NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1 1002289 JHSNYAGPNRNUFV-WPWMEQJKSA-N 460.490 4.247 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)sc2c1CCCC2 25583849 XVCVVDTWZPWLSQ-AUEPDCJTSA-N 468.362 4.199 50 50 JIGA CCOc1cc(/C=C(/C#N)c2nc3cc(OC)ccc3[nH]2)cc(Br)c1OCC(=O)O 12393130 JVIZRYFAYNHLFR-MLPAPPSSSA-N 472.295 4.260 50 50 JIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)n2-c2ccccc2)cc1 863855 KOSWCUNDBHUSMX-CVKSISIWSA-N 471.542 4.183 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2)cc1OC 2544293 JBOYHGVGQZRRSW-STBIYBPSSA-N 497.507 4.165 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2O)cc1 2543983 UVGUHJXNGASBRV-ZMOGYAJESA-N 469.291 4.146 50 50 JIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 4282426 GAZPZCTWDXSRRY-JFLMPSFJSA-N 473.920 4.290 50 50 JIGA COc1cccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)c1OCc1ccc(Cl)cc1Cl 8407002 FYXGKTGEXYDSAX-CXUHLZMHSA-N 484.343 4.288 50 50 JIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 4210405 UMLBIAMEDIBRBB-BHGWPJFGSA-N 460.715 4.243 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccco3)n2-c2ccc(C)cc2)cc1 1105483 KWBPLJOZCJKAFN-KOEQRZSOSA-N 461.547 4.477 50 50 JIGA CCOc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F 2794636 FYWSSZMCODFWLT-QZTJIDSGSA-N 486.548 4.276 50 50 JIGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC)c(COc3ccc(F)cc3F)c1)C(C#N)=C(N)O2 12320951 UTGWNIFRKMWDNO-NRFANRHFSA-N 452.461 4.446 50 50 JIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1 2521192 GUXSHIVBYBRZRL-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 8398951 GIYBMZBKUZNBOU-OAQYLSRUSA-N 464.865 4.282 50 50 JIGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)cc1 2521166 FKGDUDBFCZACNR-ZZTXFNBYSA-N 458.514 4.406 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)cc3)cc2OC)cc1 2531529 NQAVGDFXSOOHRI-WPWMEQJKSA-N 462.502 4.476 50 50 JIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4282776 GRDXNJLLJAVUQV-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 12290069 NVRMTNNUQZJRCH-UHFFFAOYSA-N 496.361 4.158 50 50 JIGA C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 8400147 XQLLRBJVNONBRI-JVWAILMASA-N 480.908 4.349 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1ccccc1 2566866 RDEHQEYHKXPUMV-CVKSISIWSA-N 452.894 4.487 50 50 JIGA CCOc1ccccc1/C=N/NC(=O)CCCCCCC(=O)N/N=C/c1ccccc1OCC 4527616 FQTCFRPNPKOPLS-MKYUKRCKSA-N 466.582 4.425 50 50 JIGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)ccc1OCc1ccccc1 1427732 OILGROMTFCLNSZ-DEOSSOPVSA-N 465.509 4.344 50 50 JIGA COc1c(Br)cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1Br 3136447 ZLTAUAFSYOWPEI-ZVBGSRNCSA-N 455.150 4.091 50 50 JIGA CCOC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(C)cc2)sc(C)c1CC 20191559 FSXBVRGTTSITTE-UHFFFAOYSA-N 465.666 4.355 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 4231394 FHAODZINSWPTTP-JVWAILMASA-N 485.569 4.346 50 50 JIGA CC(C)c1ccc(C=NNC(=O)[C@@H](NC(=O)c2ccccc2)c2nnc(O)c3ccccc23)cc1 252680036 UWBVOHNXIVFUQB-DEOSSOPVSA-N 467.529 4.080 50 50 JIGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4282316 XSIUZKMKUDTMPM-CVKSISIWSA-N 464.909 4.080 50 50 JIGA CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)cc1 4231365 ADDFNVJYKHAJGO-MTDXEUNCSA-N 471.561 4.182 50 50 JIGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)nc3ccccc32)cc1 730105 MMGREINXECAQOH-MZJWZYIUSA-N 488.569 4.099 50 50 JIGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4355149 PGSWFCLJIHNDEE-NDZAJKAJSA-N 498.583 4.417 50 50 JIGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(Br)s1 12343075 RKHVUNGNLDQXRE-JFEKIERCSA-N 459.001 4.247 50 50 JIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc32)cc1OC 1857799585 MOJXKIKKVPDFJV-HSZRJFAPSA-N 498.944 4.343 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1 2584723 LHJZCGLXZJXYFM-VULFUBBASA-N 497.891 4.395 50 50 JIGA CCOC(=O)c1ccc(NC(=S)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1 1120603 IFUOSOFJQBLXFG-UHFFFAOYSA-N 471.542 4.105 50 50 JIGA CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4oc5ccccc5c(=O)c43)c3c(C)c(C)cc1c32 1070466 CFWJMOMMYJKMNZ-NDEPHWFRSA-N 465.509 4.324 50 50 JIGA C=CCOc1ccccc1/C=N/NC(=O)c1cc(Br)cc(Br)c1N 4231471 UDXXOLGHINALAU-UFFVCSGVSA-N 453.134 4.123 50 50 JIGA CCCCOc1ccc(/C=N/NC(=O)CC(=O)N/N=C/c2ccc(OCCCC)cc2)cc1 25577849 CCIFFTGENJWHND-BFNWXZRRSA-N 452.555 4.035 50 50 JIGA COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(I)c1OC 2970447 SOFGLYYZQIVJPC-BPKVKKHESA-N 462.287 4.093 50 50 JIGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)c(OC)c1OC 2510469 QQQXTXCKMPAFAJ-JOCHJYFZSA-N 490.516 4.234 50 50 JIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C(=O)O)n2-c2ccccc2)cc1 863859 SUXWOASKNPTRFV-CVKSISIWSA-N 471.542 4.183 50 50 JIGA CCOc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 1461519 HLAKLRLRVLQHCS-HBIPHATFSA-N 478.556 4.330 50 50 JIGA COc1cc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)ccc1O 13382280 VBVNODISZYCAJT-WPWMEQJKSA-N 460.559 4.431 50 50 JIGA O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 71788216 PARQXTFBGGEDHC-QHCPKHFHSA-N 492.484 4.319 50 50 JIGA in-vitro CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2542557 GVIHGOCYNMHYHM-WPWMEQJKSA-N 462.502 4.476 50 50 JIGA O=C(NNC(=S)Nc1ccc(Br)cc1Cl)C(O)(c1ccccc1)c1ccccc1 2858598 RPACWQLVJJMNEN-UHFFFAOYSA-N 490.810 4.356 50 50 JIGA COC(=O)c1sc2cc(NC(=S)NNC(=O)c3cccc([N+](=O)[O-])c3C)ccc2c1Cl 2856238 SIQYZJRIKCKNND-UHFFFAOYSA-N 478.939 4.189 50 50 JIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209495 TXJYRIVRPJDBEZ-PVLQNKMRSA-N 467.865 4.385 50 50 JIGA O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 2519954 SZMRYQUUUDDBLR-DHRITJCHSA-N 481.917 4.011 50 50 JIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1 2520393 DHCSLISPRFJNJV-CVKSISIWSA-N 464.909 4.080 50 50 JIGA COc1cccc(COc2ccccc2/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 4210528 WTRNMHWBSPOBNX-RWPZCVJISA-N 488.569 4.175 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 2675359 PBZXVWVNUDNUJC-AFUMVMLFSA-N 483.318 4.206 50 50 JIGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2I)cc1)c1ccccc1 4372790 YVWLJSUVMBZIPW-OEAKJJBVSA-N 470.266 4.274 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccccc1Cl 1055663 HJAZKLMDRAYQOC-VULFUBBASA-N 452.894 4.405 50 50 JIGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(C)cc1 1113719 QJOOOCZRQKFRQI-RTWAWAEBSA-N 483.977 4.067 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)cc1 2543985 AVCQINSXEBQVII-JVWAILMASA-N 462.502 4.151 50 50 JIGA COc1cc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC 2584751 AEAGSKDDINZRED-VULFUBBASA-N 468.893 4.349 50 50 JIGA C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 20159009 IXWDUTZMSDGBNG-WYMPLXKRSA-N 470.279 4.177 50 50 JIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 4209848 NRNNQBJZYKCGLF-UVHMKAGCSA-N 456.329 4.453 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)sc2c1CCCC2 25584252 QAHMAXWZIJBQEO-AUEPDCJTSA-N 468.362 4.199 50 50 JIGA CC(C)(C)C(=O)N/C(=C\N1CCOCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102300268 SQIZSVLJOFFGRN-SLEBQGDGSA-O 473.577 4.274 50 50 JIGA CC(C)(C)[Si](OCC[C@@H]1O[C@H](c2ccccc2)OC[C@H]1O)(c1ccccc1)c1ccccc1 169835294 RQEKOHDQJDAVRS-KWXIBIRDSA-N 462.662 4.428 50 50 JIGA C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN=C(C)c1ccc(F)cc1 245241178 YOGZEDYQTAOEDC-UHFFFAOYSA-N 452.559 4.156 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2OC)cc1 2531904 VXLSYTKAPYGELQ-JFLMPSFJSA-N 482.920 4.496 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)cc1OC 2585030 DHKBYYTZWXPGSC-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA Oc1ccc2c3c1O[C@H]1c4[nH]c5c(N=C=S)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13651052 STOXPPZNSYPOHZ-BQRPEJFJSA-N 471.582 4.307 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2572910 ZZCXSMUSNZDERB-ZMOGYAJESA-N 498.289 4.349 50 50 JIGA Cc1ccc([N+](=O)[O-])cc1N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])s2)C2=C1CCCC2=O 12462358 QDCXTIXLWLVILH-IBGZPJMESA-N 451.464 4.178 50 50 JIGA C/C(=N/NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1ccc(NC(=O)c2ccccc2C)cc1 17136223 WQHWTWGOHWQWHR-QRQIAZFYSA-N 486.488 4.147 50 50 JIGA COc1cc(/C=N/NC(=O)c2sccc2C)ccc1Cn1nc(C)c(Br)c1C 999979 WNYUIEFXUJOSBW-LSHDLFTRSA-N 461.385 4.453 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O 1227863 FFBVLUVHKIFBAP-RNODOKPDSA-N 467.319 4.372 50 50 JIGA COc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 2901436 WTGAGEVOYNHACS-YZSQISJMSA-N 465.575 4.164 50 50 JIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 691493 NRLNWDGMWRSCCL-NTKDMRAZSA-N 460.965 4.081 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 2532073 KRXSNVCIZAVEAL-OPEKNORGSA-N 476.341 4.154 50 50 JIGA N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 2835780 LJURYYZYXSIQQE-CQSZACIVSA-N 476.436 4.324 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(C)cc2)sc2c1CC[C@@H](C)C2 20367402 RAWSCCYRFAWRID-CQSZACIVSA-N 477.677 4.219 50 50 JIGA CCOc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 1049619 WWISEVCNWAEQEW-LJAQVGFWSA-N 493.567 4.494 50 50 JIGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1cccc(O)c1 2366626 ZPHBCGBWPSUWDC-AWQFTUOYSA-N 450.998 4.432 50 50 JIGA COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1 2506254 NZHDALJJECCKJA-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2)c1 2543754 FJNNPAJYPVNHEU-OGLMXYFKSA-N 451.482 4.456 50 50 JIGA COC(=O)N/N=C(/C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(Cl)cc1Cl 5808978 DRUHEFKBLPHPHH-OYADDEIPSA-N 487.137 4.046 50 50 JIGA C=CCOc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1O 2506281 CASVNEIKLMYNRE-KEBDBYFISA-N 454.118 4.246 50 50 JIGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Br)cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1176922 PCYCZGHJTBIWSK-VGSWGCGISA-N 463.379 4.420 50 50 JIGA CCOC(=O)c1ccc(NC(=O)NNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 2851050 IDJGKLSXNDYLAE-UHFFFAOYSA-N 456.351 4.256 50 50 JIGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1 4282131 YUBAODXONSMFKL-OGLMXYFKSA-N 474.513 4.181 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccs3)n2-c2ccccc2)cc1OC 9020137 JDIWOOKSHHRIJG-ZVHZXABRSA-N 479.587 4.255 50 50 JIGA CCC(=O)O[C@@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C 253529905 CBGUOGMQLZIXBE-YDZRIDJMSA-N 466.977 4.103 50 50 JIGA COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 35794284 TWJGQZBSEMDPQP-UHFFFAOYSA-N 455.729 4.444 50 50 JIGA in-vitro COc1ccc(NCCCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 2996126 PTLVBWPOOZELBN-SSDVNMTOSA-N 485.176 4.268 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccccc1Cl 2584666 HLLHPRTXKUMDQN-BRJLIKDPSA-N 452.850 4.060 50 50 JIGA CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)NC2CCCCC2)NC(C)=C1C(=O)OC 19901171 BTMZCHIFEWXWJB-QHCPKHFHSA-N 469.607 4.136 50 50 JIGA O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 2206172 PIBLXYNUERVTLX-DHRITJCHSA-N 493.932 4.190 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(Br)c1 2521147 LIYVABQLEUEWSF-ZMOGYAJESA-N 498.289 4.349 50 50 JIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc2ccccc12 2552936 PBFQXGUHAXLIGO-ZVHZXABRSA-N 452.308 4.256 50 50 JIGA Cc1cccc(NC(=S)NNC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@@H]3C(F)F)c1C 2793771 NALNYNJXMDZVMN-RTBURBONSA-N 470.549 4.494 50 50 JIGA O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4229915 ROQUKWUHEIDCAN-BRJLIKDPSA-N 471.300 4.040 50 50 JIGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl 4295654 PGCKMCCWEMXMPE-NXYZXBHKSA-N 497.891 4.394 50 50 JIGA COc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C1C#N 9330055 VBZSVLSOJCOTRA-AWEZNQCLSA-N 461.465 4.425 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2544186 XSCSPYDRTMFOMO-JFLMPSFJSA-N 495.919 4.055 50 50 JIGA CCCc1n[nH]c2c1[C@H](c1ccc(OC)c(Cn3nc(C)c(Br)c3C)c1)C(C#N)=C(N)O2 4162956 VMGCLQXGMMFRAL-LJQANCHMSA-N 497.397 4.213 50 50 JIGA CSc1ccc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)cc1 15724527 MAUUXSDYYHDJBS-YXNRUMOYSA-N 459.527 4.058 50 50 JIGA CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(C(Br)Br)[C@@H]2Br 100011762 OPEYARDNCSVPII-URUOUCFMSA-N 467.821 4.389 50 50 JIGA CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 169794104 LDAXNEJQOMFZOT-GFCCVEGCSA-N 463.392 4.443 50 50 JIGA in-vitro C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2543909 WNGXBMLSGZVOBK-CAUYNWHBSA-N 467.865 4.385 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)ccc1OC(C)=O 5317642 SNTWYVQIPJMWLX-MZJWZYIUSA-N 454.486 4.026 50 50 JIGA COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1cc2ccccc2oc1=O 16345403 FDRHWIRANWDGDH-FYJGNVAPSA-N 480.476 4.244 50 50 JIGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1Cn1cc([N+](=O)[O-])cn1 689142 GNOYWNPXCOXMSO-RUZDIDTESA-N 496.527 4.153 50 50 JIGA O=C(CCC(=O)N/N=C/c1ccccc1C(F)(F)F)N/N=C/c1ccccc1C(F)(F)F 2921466 MXFTYADKCLZEMU-NXMZODBASA-N 458.362 4.105 50 50 JIGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 25584176 ZYHLMSFLUUPRHG-MFKUBSTISA-N 471.579 4.071 50 50 JIGA C/C(=N\NC(=O)c1cccc(COc2ccccc2Br)c1)c1cccc(-n2cnnn2)c1 25783273 QDIUBDKBNSVZEL-WGOQTCKBSA-N 491.349 4.158 50 50 JIGA COc1cccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2Br)c1 1086753 CRMVTQMESZGRTM-LSHDLFTRSA-N 492.171 4.229 50 50 JIGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 2520115 XQQRWCNWCMANKX-JVWAILMASA-N 469.453 4.496 50 50 JIGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc1 9007902 XOBOITNPAFVTOY-JVWAILMASA-N 454.486 4.206 50 50 JIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3cnc4ccccc4n3)C3=C2CCCC3=O)s1 12401699 ICWLRUCRRCIBGI-IBGZPJMESA-N 475.603 4.287 50 50 JIGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 2252561 GRTAPDBNACMCRW-MFKUBSTISA-N 472.530 4.393 50 50 JIGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 5942105 XPLKVBISINLSMJ-SWPQYVRBSA-N 477.520 4.339 50 50 JIGA CN(C)S(=O)(=O)c1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccc(F)cc4)nn23)cc1 1857800889 ZSTNFUJRXZKVHN-UHFFFAOYSA-N 480.352 4.324 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(O)cc2)cc1 2544014 DLWFLLBWPWMQJO-ZMOGYAJESA-N 469.291 4.146 50 50 JIGA CCC(=O)O[C@@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118915249 CBGUOGMQLZIXBE-OYYDJDHWSA-N 466.977 4.103 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccccc2OC)ccc1OC(=O)c1ccc(Cl)cc1 4335790 FKZUSAUFHIZBRK-JFLMPSFJSA-N 482.920 4.496 50 50 JIGA Cc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 25576173 YJLFHLFILPURBR-SFHVURJKSA-N 452.268 4.070 50 50 JIGA O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(O)c(Br)c1O 1203207 DCPWNPNJVUTGSQ-LSHDLFTRSA-N 478.140 4.469 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(C)cc1 1457542 DLTWZJOKSPRUJQ-JFLMPSFJSA-N 478.501 4.013 50 50 JIGA CC(/C=N\NC(=O)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1)=C\c1ccccc1 32573631 XUWIIABDLLAHST-AALPXBCWSA-N 458.272 4.014 50 50 JIGA CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@H]1c1cccc(F)c1 705884 RFVKYFUBFLPOAW-OAQYLSRUSA-N 478.549 4.380 50 50 JIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2552600 HUPXANPDUMRKTB-UVHMKAGCSA-N 456.329 4.453 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2506496 KVEKEGUIHCTRBO-LGJNPRDNSA-N 456.857 4.236 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 2531364 BCVRAIIGLFREMZ-STBIYBPSSA-N 481.508 4.465 50 50 JIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 2219557 UZEDEJGXJHMLIL-MFKUBSTISA-N 472.530 4.393 50 50 JIGA Cc1ccc(NC(=S)NNC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@@H]3C(F)F)c(C)c1 2793888 AHBFWOOPNFHTJD-RBUKOAKNSA-N 470.549 4.494 50 50 JIGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 4327602 SCRACBBRDIWKTB-ZMOGYAJESA-N 498.289 4.106 50 50 JIGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@]21C(=O)N(Cc2ccccc2F)c2ccccc21 12413813 CMNYKENWYPEWNR-SANMLTNESA-N 489.528 4.292 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC3=C2C(=O)CCC3)ccc1O 2201093 XKYXRKSMLAGJDK-HSZRJFAPSA-N 479.533 4.341 50 50 JIGA COc1ccc(/C=N/NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1COc1ccc(Cl)cc1 4396645 DZTWQXSNAQUKES-DHRITJCHSA-N 485.928 4.190 50 50 JIGA C/C(=N\NC(=O)COc1ccc(I)cc1)c1ccc(Br)s1 12343133 NRBVAWFYIHAOIJ-RQZCQDPDSA-N 479.137 4.034 50 50 JIGA Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)S(=O)(=O)c1ccccc1 1133326 BZRCTAWOVLUPFS-HMMYKYKNSA-N 457.511 4.442 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(O)cc2O)cc1 2542913 IIMGETGOUIXKQM-DHRITJCHSA-N 499.317 4.242 50 50 JIGA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O1 1228471 ZPTUUCKEPHMKTK-JOCHJYFZSA-N 497.368 4.019 50 50 JIGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)s2)cc1 2357746 SKNDUQPFYFGRBU-KEBDBYFISA-N 459.578 4.289 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2OC)cc1 2531805 JATVNNIMFUDRLP-LQKURTRISA-N 476.529 4.459 50 50 JIGA C/C(=N\NC(=O)c1c(Br)c(C)nn1C)c1cccc(NC(=O)c2ccccc2C)c1 8456102 VFFSEEMAXGTGCH-AFUMVMLFSA-N 468.355 4.206 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2OC)cc1 4230098 SQCRRPMBCGZIIA-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1ccc(OC(=O)c2cccs2)cc1 13403936 CLTJTZWHESDFNG-LJQANCHMSA-N 485.481 4.484 50 50 JIGA COc1cc(/C=N\NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 32603814 APPOUPPJKQMATC-VYYCAZPPSA-N 451.910 4.438 50 50 JIGA COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c21 718381 HDSYOCHFRBAJBE-MRXNPFEDSA-N 457.273 4.339 50 50 JIGA CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(O)c3)nnc2-c2ccccc2)cc1 1474444 MVIJFELENRIIDU-WGOQTCKBSA-N 473.558 4.281 50 50 JIGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 4372570 NZSHYTQXHSDBPK-ZMOGYAJESA-N 498.289 4.106 50 50 JIGA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H](c2cccc(Br)c2)C(C#N)=C(N)O1 12384903 YJFNJGRUSDXOPN-QFIPXVFZSA-N 497.368 4.019 50 50 JIGA CCn1c(SCC(=O)N/N=C(\C)c2cccc(Br)c2)nnc1-c1ccc(OC)cc1 13596912 SDEVJGCOQLNZSA-OEAKJJBVSA-N 488.411 4.369 50 50 JIGA COc1cccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)c1 2544247 NHDCGHBTFOTCHK-STBIYBPSSA-N 481.508 4.465 50 50 JIGA Cc1sc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)nc1-c1ccc(Cl)cc1 239175760 QPKBIZLUAQVVDV-XFBSOKCSSA-N 467.772 4.281 50 50 JIGA CCOc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1O 1192201 IZQDOHWMXABUIJ-CVKSISIWSA-N 460.559 4.431 50 50 JIGA Cc1cc2c(cc1Br)NC(=O)[C@]21C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 1229616 KBDCRKNKTJWHCF-SHACYNPGSA-N 476.330 4.072 50 50 JIGA COc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 2406914 JIZQBLCUOMNBRN-NDEPHWFRSA-N 479.540 4.104 50 50 JIGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2542714 GDHDIKYGJODKFT-XODNFHPESA-N 484.339 4.401 50 50 JIGA C[C@H](NC(=S)NNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F)c1ccccc1 20613834 QKLSAZBNSSTYKT-ZOCIIQOWSA-N 470.549 4.116 50 50 JIGA CCc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F 2793856 CFOXQAPYYJIVAL-OALUTQOASA-N 470.549 4.440 50 50 JIGA O=C1N=C(NNC(=O)c2ccc(Br)cc2)N(c2ccccc2)/C1=C/c1ccccc1 25583786 PLFVVEKDRSAZDZ-HMMYKYKNSA-N 461.319 4.127 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 2584676 CTFGYKNYEYAENQ-CVKSISIWSA-N 452.894 4.487 50 50 JIGA C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 2597686 SLNRXOMGZBAEEY-OGLMXYFKSA-N 458.514 4.480 50 50 JIGA COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2542693 BUXJXAZTIQKIBM-AFUMVMLFSA-N 483.318 4.206 50 50 JIGA COc1ccc(CCNC(=S)NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1OC 16346575 PCOOEBAAOOIXPP-QHCPKHFHSA-N 481.643 4.275 50 50 JIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1 2543687 CADQBSREVWYYAK-VULFUBBASA-N 494.345 4.374 50 50 JIGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc(Br)c2)cc1 4261181 WWAMWIOFUPNIFP-AFUMVMLFSA-N 479.334 4.099 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 256072844 BDSYKGHYMJNPAB-SZJZRICBSA-N 484.967 4.051 50 50 JIGA world CC(C)Sc1nnc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2CC(C)(C)CC3=O)s1 12401672 ARBWOMCWLRMHTO-DEOSSOPVSA-N 492.630 4.086 50 50 JIGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 71775018 ONMKXCSBPCTKRF-NDZAJKAJSA-N 498.583 4.417 50 50 JIGA O=C1OC(=O)c2cc(Oc3c(F)c(F)c(Oc4ccc5c(c4)C(=O)OC5=O)c(F)c3F)ccc21 95540822 VUNBFGNQCLCCIE-UHFFFAOYSA-N 474.274 4.449 50 50 JIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 4283354 YZJGHKCRQJACFP-VULFUBBASA-N 494.345 4.374 50 50 JIGA COc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2544221 OVSZMDGWDNSQDA-STBIYBPSSA-N 481.508 4.465 50 50 JIGA O=C(CCSSc1ccccn1)NCCCCNC(=O)CCSSc1ccccn1 15020056 JMUAKWNHKQBPGJ-UHFFFAOYSA-N 482.722 4.450 50 50 JIGA in-vitro O=C(CSCc1ccc(F)cc1Cl)NNC(=S)Nc1ccc(Br)cc1 20478610 WMPNCLWXDZZYNO-UHFFFAOYSA-N 462.797 4.493 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(O)cc2O)cc1 4360466 GOWPBJDFOGKTAO-WYMPLXKRSA-N 469.291 4.152 50 50 JIGA C#CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cccc(Cl)c1Cl 43761019 VAQXPXNQECHCCB-LSHDLFTRSA-N 456.123 4.297 50 50 JIGA O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 4210666 SRFRAAIKKIXDMV-DHRITJCHSA-N 470.298 4.256 50 50 JIGA O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 15018417 HRIIGAYNVHHCKT-IUVHDTPZSA-N 485.456 4.089 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 2529616 FSTFIQHUJPTNBR-CVKSISIWSA-N 465.893 4.047 50 50 JIGA Cc1cc(/C=N/NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)n1-c1ccccc1 1201214 IKAHLSLUQYJMRK-NLRVBDNBSA-N 464.591 4.033 50 50 JIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2518523 ULKMPGOOCIWGPO-VULFUBBASA-N 467.909 4.025 50 50 JIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1 2520167 FDHIZJPDEUGMHZ-CVKSISIWSA-N 464.909 4.080 50 50 JIGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2530296 LUTBTVFBFUAPMC-WPWMEQJKSA-N 460.486 4.252 50 50 JIGA CCOc1ccc2c(c1)nc(SCC(=O)N/N=C/c1ccc(OC)c3cccc(OC)c13)n2C 16675660 FAPZPUXSKPBDKF-VULFUBBASA-N 478.574 4.385 50 50 JIGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 100398455 JPGVKTFCGPUUFF-AFUMVMLFSA-N 452.923 4.386 50 50 JIGA COc1ccc(C(=O)NN=C2C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)cc1OC 252678335 DYTZIZSIBGBUAZ-GDJIYFAZSA-N 490.604 4.043 50 50 JIGA CO[C@@]1(c2cc(OP(=O)(O)O)ccc2Cl)OO[C@]12[C@H]1C[C@H]3C[C@@H]2C[C@](Cl)(C3)C1 257355158 NOXRGRGCSIAHSL-OGIDZUKMSA-N 451.239 4.129 50 50 JIGA O=C(NN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21)c1ccccc1F 912745010 QSIZOGLLIFWULK-CPNJWEJPSA-N 469.394 4.307 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2O)c1 2531456 UGDVXCSWTRQUEX-ZMOGYAJESA-N 453.292 4.446 50 50 JIGA COC(=O)[C@@H]1C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1C(=O)OC(C)(C)C 195928887 BNKKPVAOMOLTSX-OFNKIYASSA-N 483.681 4.114 50 50 JIGA N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 1056443 UYYSJLJDBIAFKX-OAQYLSRUSA-N 464.319 4.483 50 50 JIGA COc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1C#N 2935365 WJOCXQDEGXENKM-VULFUBBASA-N 476.514 4.296 50 50 JIGA Cc1ccc(NC(=S)NNC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@@H]3C(F)F)c(C)c1 2793886 AHBFWOOPNFHTJD-RTBURBONSA-N 470.549 4.494 50 50 JIGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)C3c4ccccc4Oc4ccccc43)ccc12 2853953 YRBZUHNQIGOXMC-UHFFFAOYSA-N 457.511 4.357 50 50 JIGA C=CCn1c(SCC(=O)NN=C(CC)c2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 253470502 HUSBAYZRRKQYJD-UHFFFAOYSA-N 450.524 4.062 50 50 JIGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 1215642 FEIVZKJASAFMKB-VTGBELTLSA-N 458.268 4.134 50 50 JIGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)c1 2520238 DEORZFGFTPONAB-CCVNUDIWSA-N 468.435 4.355 50 50 JIGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1cccc(NC(=O)C(C)(C)C)c1 8399682 HEFRDYRJHXMBFJ-CBVHTYNASA-N 473.209 4.408 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)COc2ccc(F)cc2F)sc(C)c1-c1ccccc1 20294082 BRMTZSHEVQOJFQ-UHFFFAOYSA-N 491.541 4.185 50 50 JIGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)cc1OCC 1472157 IOQYIVJJNPRFFK-XMMPIXPASA-N 457.530 4.221 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1 2506345 DNWREHQDTAGRMU-ZMOGYAJESA-N 453.838 4.240 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 4261298 DABHDQYVFLWEEL-CVKSISIWSA-N 465.893 4.047 50 50 JIGA CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C(F)(F)F)cc3)[C@H]2C1 16034265 KKJDAOCBMTWJPY-OALUTQOASA-N 469.467 4.366 50 50 JIGA O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1ccc(O)cc1O 1050854 ADZMSZAEKMONSI-DHRITJCHSA-N 479.949 4.241 50 50 JIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 1297191 YZWDJGXGFSFLJB-JFLMPSFJSA-N 490.585 4.353 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2-c2ccccc2)cc1OC 822659 HLOGVHDOOICMSZ-WGOQTCKBSA-N 473.558 4.194 50 50 JIGA COc1ccc(/C=N/NC(=O)CCn2cc(Cl)cn2)cc1COc1ccccc1Br 2782617 QJGVHVIGTIISOA-BHGWPJFGSA-N 491.773 4.427 50 50 JIGA CCOc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F 2794638 FYWSSZMCODFWLT-ZWKOTPCHSA-N 486.548 4.276 50 50 JIGA C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2857650 JBIOMUUKQOYNBA-CQSZACIVSA-N 472.328 4.474 50 50 JIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1C(F)(F)F 8416432 LIIZMLJGLRAZSV-MHECFPHRSA-N 494.517 4.446 50 50 JIGA COc1cccc(/C(C)=N/NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)CC2)c1 20293893 ZRMPZIOVMJMVSK-SZXQPVLSSA-N 485.650 4.178 50 50 JIGA Cc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F 2793866 QDNJCGDPNGFFNN-MSOLQXFVSA-N 456.522 4.186 50 50 JIGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4302988 UXFKQSWHEVCQKQ-PVLQNKMRSA-N 467.865 4.385 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2OC)cc1 2077086 KLQGAGUYZZVJPB-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(O)cc2)cc1 4230215 VAKNIIUTIAUAKG-ZMOGYAJESA-N 453.292 4.446 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)cc1 4230290 XUXRGQUGSIVBNW-DHRITJCHSA-N 456.285 4.301 50 50 JIGA CCCO[Si](c1ccccc1)(c1ccccc1)[Si](OCCC)(c1ccccc1)c1ccccc1 169817401 CTOYNOPOHNRWIJ-UHFFFAOYSA-N 482.772 4.438 50 50 JIGA CC(C)(C)OC(=O)N1C(=O)CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 196171700 FAYODBRURYKPFY-FQEVSTJZSA-N 453.655 4.489 50 50 JIGA in-vitro Cc1sc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)nc1-c1ccc(Cl)cc1 239175759 QPKBIZLUAQVVDV-UNVMTRKTSA-N 467.772 4.281 50 50 JIGA CCCCOc1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 252427584 HOEIKRVEZIPZPX-MRXNPFEDSA-N 482.606 4.236 50 50 JIGA COc1ccc(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1CSCc1ccco1 2110758 YJKZSNRUHUQQOL-YSURURNPSA-N 495.517 4.232 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccc(Br)cc2)n[nH]1 5402917 HQPMIJVUWHFEDW-AWQFTUOYSA-N 464.117 4.071 50 50 JIGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2cc(Cl)ccc2C)=C(C#N)[C@@H]1c1ccc(C)cc1 220953476 IJKLOJUDTQLFMD-SFTDATJTSA-N 483.977 4.067 50 50 JIGA COC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1F 20256178 VARTZGVMLWQGKH-QFIPXVFZSA-N 451.523 4.375 50 50 JIGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(NC(=O)C2CCC2)cc1 8455915 NKIMFHQTGOLIHY-ZTBJCTOSSA-N 471.193 4.162 50 50 JIGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C1/C(=O)Nc2ccccc21 4531274 TZOXXWZFGOHQJG-UHFFFAOYSA-N 475.961 4.303 50 50 JIGA O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cccc(OC(=O)c2ccco2)c1 1214955 UUMFZUBHEDNXOI-FOKLQQMPSA-N 477.698 4.444 50 50 JIGA COc1cc(/C=N/NC(=O)c2cnccn2)ccc1OC(=O)c1sc2ccccc2c1Cl 4210248 QRMJPBIYQJIBOJ-KBKYJPHKSA-N 466.906 4.336 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccc(OC)cc1 4335863 WPBHFRQFHDGIQQ-LQKURTRISA-N 476.529 4.459 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 1474911 WZJIZCJXNPKIGO-MFKUBSTISA-N 488.529 4.094 50 50 JIGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 43190727 AEBYIJZTSBLODN-UVHMKAGCSA-N 484.325 4.047 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)sc2c1CC[C@@H](C)C2 4259554 LYBNWPFNOKUBAV-BPDROILWSA-N 482.389 4.445 50 50 JIGA CCOc1ccc(OCc2ccc(C(=O)NNC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 16186909 KUGDTBYPRISLPL-UHFFFAOYSA-N 466.519 4.204 50 50 JIGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cn3)C3=C2C(=O)CCC3)cc1OC 993811 YJDKHGXBTYPFCG-OAQYLSRUSA-N 481.350 4.166 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2530466 HUYSCQBDINVUAT-MZJWZYIUSA-N 483.883 4.186 50 50 JIGA N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 8398956 GIYBMZBKUZNBOU-NRFANRHFSA-N 464.865 4.282 50 50 JIGA Cc1sc([C@@H]2C(C#N)=C(N)N(c3cccnc3Cl)C3=C2C(=O)CCC3)cc1CN1CCOCC1 12372403 PUCWEYCQEDCJEL-QFIPXVFZSA-N 496.036 4.242 50 50 JIGA COc1ccccc1/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c1ccccc1OC 17024746 LBLHSZLLOYZVHM-MKYUKRCKSA-N 466.582 4.425 50 50 JIGA NNC(=O)CSc1nnc(CNc2cccc3ccccc23)n1-c1ccc(Cl)cc1Cl 66324338 KARTUAZCJGAPMB-UHFFFAOYSA-N 473.389 4.421 50 50 JIGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccc(O)c(O)c1 863847 FVFKWAARKKBFMU-BRJLIKDPSA-N 466.950 4.392 50 50 JIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1OC 1457975 MLLGYPUUZTXTCH-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)NC2CCCCC2)NC(C)=C1C(=O)OC 728998 BTMZCHIFEWXWJB-HSZRJFAPSA-N 469.607 4.136 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 4282135 NIDBPHJXEFCEGC-OGLMXYFKSA-N 492.528 4.484 50 50 JIGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 4330685 RXNDVTRKBNCQEO-AFUMVMLFSA-N 482.334 4.126 50 50 JIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccc(Br)cc2)o1 649192 HQFUPOVKTUTXNB-IBGZPJMESA-N 459.296 4.266 50 50 JIGA CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)cc1 987224 GHRZBLBUTHVYIU-KRWDZBQOSA-N 450.296 4.016 50 50 JIGA COC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1F 20256180 VARTZGVMLWQGKH-JOCHJYFZSA-N 451.523 4.375 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)cc2OCC)cc1 4302525 SCJPJVGEMOUKKD-OGLMXYFKSA-N 492.528 4.484 50 50 JIGA COc1ccc(C(=O)N2CCC[C@@H](C(=O)NNC(=O)c3ccc4ccccc4c3)C2)c2ccccc12 918108595 GSELHTBAODWASO-JOCHJYFZSA-N 481.552 4.315 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)cc2)cc1 4261155 DRZLCFFDTJMFDG-MUFRIFMGSA-N 493.947 4.228 50 50 JIGA CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)cc1 2542985 CNVVKPALIQUYFD-WPWMEQJKSA-N 462.502 4.476 50 50 JIGA Cc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F 2793869 QDNJCGDPNGFFNN-ZWKOTPCHSA-N 456.522 4.186 50 50 JIGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)OC2)[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 12376436 XGISTXLGTLQUFZ-MUUNZHRXSA-N 494.938 4.150 50 50 JIGA biogenic CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCC(=O)NC2CC2)N1 4167551 ACQHOPKRKSOZJA-NRFANRHFSA-N 450.589 4.095 50 50 JIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 43761071 ISCGIDRNRKMUCL-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 2244457 UDWDTTNBXMGFCP-MFKUBSTISA-N 472.530 4.393 50 50 JIGA COc1ccc(/C=C/C=N/NC(=O)/C(=C/c2cc(OC)ccc2OC)NC(=O)c2ccccc2)cc1 2869651 RRQPPYWJGWTBGC-SRGLYDKLSA-N 485.540 4.299 50 50 JIGA CCOC(=O)COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc2ccccc2c1 2850587 CPFYYPFQCYGDEH-SANMLTNESA-N 480.524 4.494 50 50 JIGA O=c1sc2ccccc2n1C[C@H](O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100697763 CNQLEINSWNAPKY-QFIPXVFZSA-N 470.554 4.418 50 50 JIGA Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N3c4c(cccc41)[C@@H](C)CC3(C)C)C(C#N)=C(N)O2 2199278 IGKBQQYBPQYDAW-KUNJGFBQSA-N 451.530 4.186 50 50 JIGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 2519988 IBDBSPPKBYEQND-LQKURTRISA-N 466.497 4.195 50 50 JIGA O=[N+]([O-])c1ccc(/C(=C/c2ccc(I)o2)S(=O)(=O)C(Cl)Cl)o1 2532358 OZKDTXFVTRPXJA-YVMONPNESA-N 478.047 4.060 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2)cc1 2542506 XEBWARWVHNYLSR-CVKSISIWSA-N 452.894 4.487 50 50 JIGA COc1c(Br)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1Br 3136476 GRAXHYAPYIMBQZ-DNTJNYDQSA-N 476.552 4.403 50 50 JIGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1OC 16975009 PMDISASAJQBFSR-JVWAILMASA-N 456.502 4.437 50 50 JIGA CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@@H]1c1cccc(F)c1 705883 RFVKYFUBFLPOAW-NRFANRHFSA-N 478.549 4.380 50 50 JIGA C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502490 QQUFONGBWCVQLN-HXUWFJFHSA-N 471.307 4.359 50 50 JIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(C)c(Cl)c1 4260511 SGQWMABVWRJAAK-SSDVNMTOSA-N 450.720 4.065 50 50 JIGA CC1(C)CC(NC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC(C)(C)N1[O] 210701693 OVDPLBMWAOKARA-UHFFFAOYSA-O 474.585 4.464 50 50 JIGA in-vitro COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3cccc(Cl)c3)cc2)cc1OC 4347412 FECHZYBRSZQXNC-WJGWSCHNSA-N 482.920 4.494 50 50 JIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 2544412 SLMVSFDJTMQTAE-XODNFHPESA-N 484.339 4.401 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2544434 HAIGWQVAQHTMKQ-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3)cc2)cc1 4302342 XJHPFKOUZWRIJE-OVVQPSECSA-N 459.502 4.174 50 50 JIGA C=CCOc1ccccc1/C=N\NC(=O)CCCCCC(=O)N/N=C/c1ccccc1OCC=C 4527722 NPDPITWTMKRHAM-QFYPEMSYSA-N 476.577 4.367 50 50 JIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2543306 WZIKNWWTRXWEJM-CAUYNWHBSA-N 467.865 4.385 50 50 JIGA CCOc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc(OCC)cc3)o2)cc1 20613873 FFIZKKXTIVKYBA-UHFFFAOYSA-N 455.536 4.287 50 50 JIGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 1834497 SUXXZBGQZTUUEB-JVWAILMASA-N 485.569 4.272 50 50 JIGA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](I)CN2Cc1ccccc1 382675463 OFGOHCZHVVIBJM-KRWDZBQOSA-N 456.368 4.466 50 50 JIGA Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(F)cc2F)C2=C1C(=O)CC(C)(C)C2 1422292 IPTQSZNORHNCIK-SANMLTNESA-N 460.484 4.320 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 4347218 CTOBICNERLGXRW-OGLMXYFKSA-N 467.481 4.156 50 50 JIGA COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Br)cc1 32606125 FXHNZXLZXCFHHZ-CFRMEGHHSA-N 498.289 4.349 50 50 JIGA COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc5ncccc5c4)ccc32)cc1 1775976822 QJCLLERUSABDQT-VWLOTQADSA-N 477.476 4.459 50 50 JIGA COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1COc1cccc2cccnc12 673016 PKPPUZSEWFQXRX-JFLMPSFJSA-N 456.458 4.495 50 50 JIGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1 5319101 WBELVMIMGNRJHM-JVWAILMASA-N 454.486 4.206 50 50 JIGA CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 2320519 GHKVYTPNQOPXMP-YZSQISJMSA-N 456.575 4.243 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2OCC)cc1 2531810 VTXFDRDOAOTBRW-WGOQTCKBSA-N 477.473 4.375 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2)cc1OC 2584725 OLVQOCPQTBNWPJ-VULFUBBASA-N 468.893 4.106 50 50 JIGA CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](c2cccc(Br)c2)C(C#N)=C(N)O1 12384902 YJFNJGRUSDXOPN-JOCHJYFZSA-N 497.368 4.019 50 50 JIGA O=C(Cc1c(F)cccc1Cl)NNC(=S)Nc1ccc(Br)cc1Cl 20428918 LIFXPGHSQQPPMD-UHFFFAOYSA-N 451.148 4.455 50 50 JIGA CCCCCn1c(=O)c(C(=O)N/N=C/c2cccc(Br)c2)c(O)c2ccccc21 100731952 XPSLCWASGQXHIU-ZVHZXABRSA-N 456.340 4.424 50 50 JIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1 2543698 CWOYTPVBEDNCOI-VULFUBBASA-N 494.345 4.374 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccco2)nn3-c2ccccc2)cc(OC)c1O 2789979 BYAXZBMVZGFLDC-HXUWFJFHSA-N 456.458 4.073 50 50 JIGA O=C(CSCc1ccccc1Br)NNC(=S)NCc1ccc(Cl)cc1 2852315 QGMVNLOOEVBOHG-UHFFFAOYSA-N 458.834 4.031 50 50 JIGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2852985 UFXRWGAHMDYNQR-AWEZNQCLSA-N 475.401 4.497 50 50 JIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)ccc1O 15933768 HTALEKPDKVBLQK-DHRITJCHSA-N 454.866 4.046 50 50 JIGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2ccc(OC(C)=O)c(OCC)c2)s1 20562630 VRZKZVPGQLRRLZ-MHWRWJLKSA-N 456.520 4.357 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 2519960 BOQIPTWQEUFTKW-TURZUDJPSA-N 499.548 4.471 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(O)cc1O 2542674 MFDKZSUEMVGKMS-WYMPLXKRSA-N 469.291 4.152 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)cc2)cc1 4287051 YPHTYPFMHHCYJW-MTDXEUNCSA-N 473.529 4.346 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c(Br)c(Br)c1O 1205223 LUDABTZHXGKZRC-ZVBGSRNCSA-N 494.143 4.080 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc2c(c1)OCO2 2532295 CWAUFNQKHSDZRK-BRJLIKDPSA-N 481.302 4.469 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 4354930 OUSMHINDGBRQSB-ISAGNRBTSA-N 454.482 4.251 50 50 JIGA CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(C(=O)N/N=C/c3ccc(OC(C)C)cc3)o2)cc1 20549898 FIBSZKQQOQDDNT-DPCVLPDWSA-N 476.533 4.382 50 50 JIGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 4230193 IVCAOHPEDPRSFP-NLRVBDNBSA-N 464.591 4.406 50 50 JIGA CCOc1cc(/C=C(\C#N)C(=O)OC)cc(I)c1OCc1ccccc1C#N 220955716 CJYLFPFUKJOBAA-CAOOACKPSA-N 488.281 4.221 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 3920028 BDSYKGHYMJNPAB-LICBFIPMSA-N 484.967 4.051 50 50 JIGA biogenic,fda N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1cccc(OC(=O)c2cccs2)c1 8437184 QHWNSKCNTSXAOA-HXUWFJFHSA-N 484.493 4.304 50 50 JIGA Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N3c4c(cccc41)[C@H](C)CC3(C)C)C(C#N)=C(N)O2 2199276 IGKBQQYBPQYDAW-YVORESIASA-N 451.530 4.186 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)/C=C/c1ccccc1 2521219 DJAYYXPUDFLRRL-XKUSBHSNSA-N 458.514 4.460 50 50 JIGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 4259541 AXLPFTPJJJGFOS-WSDLNYQXSA-N 459.321 4.259 50 50 JIGA COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1C 15769631 WLZZVGLTBWOMTG-MOHJPFBDSA-N 482.584 4.445 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccncc2)cc1 2531919 UVTNZRYRKQFDJQ-AFUMVMLFSA-N 468.307 4.226 50 50 JIGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])s3)C3=C2CCCC3=O)c([N+](=O)[O-])c1 12447337 GBJXSLNTMFLXEY-IBGZPJMESA-N 451.464 4.178 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc(OC)cc1 2543836 MLSBSCBIUFMALU-JVWAILMASA-N 462.502 4.151 50 50 JIGA COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(Br)c1OCC#N 12418859 DZHYVGPHUIUGSJ-OQLLNIDSSA-N 475.306 4.064 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](O)c2ccccc2)cc1OC 731327 UJSFIKVYCVYLEF-MKFKGKHESA-N 484.508 4.260 50 50 JIGA CCCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2530294 YSGNQYRJHKRVOL-WPWMEQJKSA-N 462.502 4.476 50 50 JIGA CCCCCCn1c(O)c(C(=O)N/N=C/c2ccc(O)c(OCC)c2)c(=O)c2ccccc21 1776111250 ISGHSWQULWRKGA-WGOQTCKBSA-N 451.523 4.156 50 50 JIGA C/C(=N\NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(C)o2)c1 685890 ACLQRGUPDVETAX-FYHAJLKWSA-N 450.451 4.056 50 50 JIGA COc1ccc(N(CC(=O)N/N=C(\C)CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1 12343121 ISBYMEQWMBOXMN-LHLOQNFPSA-N 465.575 4.015 50 50 JIGA C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 2363310 DACZQMVLDVTJLF-CEWLANGVSA-N 480.160 4.053 50 50 JIGA COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)cc1 9334828 GIQXMVSGAOYCRY-KRWDZBQOSA-N 472.364 4.168 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccccc3O)n2-c2ccccc2)cc1 9428536 MKWXCAQEAPXDSB-YZSQISJMSA-N 473.558 4.281 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CCCC3)sc2c1CC[C@H](C)C2 20562778 RACIUZAJRLQMEU-NSHDSACASA-N 463.650 4.231 50 50 JIGA O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1ccncc1 2324761 QFFZSMFWOYFMJI-AFUMVMLFSA-N 493.390 4.334 50 50 JIGA CCc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 2235693 BYEKMFWEWUSPOQ-JMGYQRAPSA-N 462.557 4.494 50 50 JIGA COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 2520024 CHXBJQYMVYVKAF-OEAKJJBVSA-N 488.363 4.022 50 50 JIGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4259686 YFKRGRFMSGZQLX-MZJWZYIUSA-N 459.893 4.162 50 50 JIGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1Cl 4292829 MDGIGHRFFVIJCN-NXYZXBHKSA-N 497.891 4.394 50 50 JIGA COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc(OC)c1OC 1814836 QZMBWMNRIPZYGG-SSDVNMTOSA-N 490.632 4.099 50 50 JIGA O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1 18062885 USTUABMDNUASQB-UHFFFAOYSA-N 486.329 4.177 50 50 JIGA CC1(C)[C@H](O)[C@@]2(Br)CC[C@@]1(C(Br)Br)[C@@H]2Br 169795841 MXWOGZXJHDUNLB-AJSHEINVSA-N 469.837 4.180 50 50 JIGA Cc1onc(-c2ccccc2)c1C(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21 1210179 YEXAHPYOWLJSHH-FVDSYPCUSA-N 450.498 4.373 50 50 JIGA CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OCC)cc2)cc1 2907052 RPWMGILXAIZAIJ-OVVQPSECSA-N 495.601 4.138 50 50 JIGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)c1 4261022 VZBNMRIPNAERAQ-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)NCc2ccccc2)NC(C)=C1C(=O)OC 20034818 FWFHERIIVSNLGC-XMMPIXPASA-N 477.586 4.004 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccccc2)cc1OC 1308380 CTHPFRGZQGQJFK-JFLMPSFJSA-N 491.548 4.333 50 50 JIGA COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)c1 2544502 PHUWFPJMQGADMX-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2673495 LUKBSXRMQSUPMJ-ZVHZXABRSA-N 453.292 4.197 50 50 JIGA C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 4282147 BUWVRWXWQGCBKU-WPWMEQJKSA-N 460.486 4.252 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1 2565236 JJPIEMUBCIISHX-CVKSISIWSA-N 452.894 4.487 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OC(=O)/C=C/c1ccccc1 2521129 QFQTUSWUKWADDN-XXCBZJLXSA-N 491.931 4.365 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)c(C)c3)cc2OC)cc1 4229985 IIUVVNOJDRSILI-JFLMPSFJSA-N 462.502 4.069 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(C)c3)cc2)cc1 4259693 MFOLADZBROBDBX-UXHLAJHPSA-N 487.556 4.273 50 50 JIGA COc1cc(Br)c(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC 8443076 JIDOTIZYMIYDSG-RIYZIHGNSA-N 450.296 4.170 50 50 JIGA CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)N4C(=C3C#N)Nc3ccccc34)c3c(C)c(C)cc1c32 2241554 ZIQCQDXTPNTEHC-NDEPHWFRSA-N 460.541 4.458 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@]21C 257355369 AJWNGOKNEBVXJK-WJHXFVHVSA-N 471.009 4.407 50 50 JIGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1 4355422 AJONSOAPDJMDHQ-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA COc1ccc(/C=C(\C#N)C(=O)Nc2sccc2C(=O)OC(C)C)cc1Cn1cc([N+](=O)[O-])cn1 20549847 BADUFIWHZWOOIO-LZYBPNLTSA-N 495.517 4.021 50 50 JIGA Cc1onc(-c2ccccc2)c1C(=O)NNC(=S)NC(=O)C1c2ccccc2Oc2ccccc21 2397646 DGUIZGPWYLKVBD-UHFFFAOYSA-N 484.537 4.223 50 50 JIGA CCOc1ccc(NC(=O)NNC(=O)COc2ccc3cc(Br)ccc3c2)cc1 2852977 PVBWNCMISDXNGN-UHFFFAOYSA-N 458.312 4.233 50 50 JIGA O=C(N/N=C/c1coc2ccccc2c1=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 2521853 XJPIQCLOFOYIET-DHRITJCHSA-N 481.917 4.011 50 50 JIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 4335681 LOVVZFPTTCOVHN-STBIYBPSSA-N 459.546 4.243 50 50 JIGA CCN(CC)CCCNC(=S)NNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 20613913 HRPBJGQRVIJZLD-UHFFFAOYSA-N 483.465 4.413 50 50 JIGA O=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 8455964 COKCFWIZVBKPDJ-IOXNKQMXSA-N 487.097 4.266 50 50 JIGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c(Cl)cc1OCC(=O)OC 1141748 AKCHAGQLBIHYPU-QHCPKHFHSA-N 494.935 4.003 50 50 JIGA O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1ccc(O)c(O)c1 1288592 DSWAYECYGHYVGE-BRJLIKDPSA-N 466.950 4.392 50 50 JIGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Br)cc1 2518534 QTXJZWGLAADOHF-ZVHZXABRSA-N 452.308 4.117 50 50 JIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 2532076 TYCXQGUKNUIRST-OCSSWDANSA-N 465.509 4.248 50 50 JIGA CC(=O)O[C@H]1O[C@@]2(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)C[C@H]1S(=O)(=O)c1ccccc1 169836755 QHXNLNGMJKAPJD-AQCRLBJHSA-N 454.661 4.452 50 50 JIGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cccc(Br)c3)cc2)cc1 4231791 AQRDXLMUTIYXMU-OEAKJJBVSA-N 472.364 4.322 50 50 JIGA COc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc(OC)c1OC 1207963 SBBPSBLXLNCDIR-RWPZCVJISA-N 474.492 4.468 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1ccc(C)cc1 2541792 WIUXTQFWMJWJMY-VULFUBBASA-N 452.894 4.405 50 50 JIGA COc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccccc1Cl 1435106 POUMLYMFHLGNHJ-VULFUBBASA-N 452.894 4.405 50 50 JIGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(Br)cc1 2506497 OIBCAUBXNFXQRQ-CVKSISIWSA-N 488.345 4.391 50 50 JIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 2552656 MDJOIAOFRVWNDE-CVKSISIWSA-N 494.345 4.320 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3C)cc2)cc1 4327487 QOJXRRHLJGHCTE-UXHLAJHPSA-N 487.556 4.273 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3cccc(Cl)c3)cc2)cc1OC 4347411 FECHZYBRSZQXNC-ZXSUQFSISA-N 482.920 4.494 50 50 JIGA CCN(CC)CCCNC(=S)NNC(=O)c1ccc(COc2cc(C)ccc2Cl)cc1 20613914 WKXJUZWYCQQUJC-UHFFFAOYSA-N 463.047 4.068 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2518520 SLLZDNOLMMZQDM-CVKSISIWSA-N 465.893 4.047 50 50 JIGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2544407 UXFKQSWHEVCQKQ-CAUYNWHBSA-N 467.865 4.385 50 50 JIGA CCOc1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 9332755 YMCULQYXIUWNNT-VQTJNVASSA-N 456.951 4.410 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccccc1 2518705 KFTTURMYZPAXPT-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)sc2c1CC[C@H](C)C2 2520249 LYBNWPFNOKUBAV-QPDIMOPTSA-N 482.389 4.445 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1cccc([N+](=O)[O-])c1 2584969 JTFJCOFYSIHRHP-YDZHTSKRSA-N 468.263 4.340 50 50 JIGA Cc1ccc2c(c1Br)[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 756256 YGXGHEZCMMDKMQ-SHACYNPGSA-N 476.330 4.072 50 50 JIGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1Cl 2543246 MDGIGHRFFVIJCN-IXORVSQSSA-N 497.891 4.394 50 50 JIGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 2912364 NEWLJWWIJWUZBY-VULFUBBASA-N 467.909 4.025 50 50 JIGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 4355453 ZTYGGXBDAQVFOJ-MTDXEUNCSA-N 467.529 4.417 50 50 JIGA O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cc(Br)ccc1O 4366546 QZXCSMTXNXUHEK-ZMOGYAJESA-N 455.308 4.263 50 50 JIGA CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)s2)sc(C(=O)N(C)C)c1C 20167974 JRXUBJURIRNEIV-DHZHZOJOSA-N 496.408 4.305 50 50 JIGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Br)c2)C2=C1C[C@H](c1ccccc1)CC2=O 691421 KNVVLLHTJHNKKH-JTSKRJEESA-N 463.379 4.420 50 50 JIGA Cc1cc(-c2nn(-c3ccccc3)c3c2[C@@H](c2c(F)c(F)c(F)c(F)c2F)C(C#N)=C(N)O3)n(C)n1 2790263 KDLIAXSGXSNMDE-CQSZACIVSA-N 498.415 4.495 50 50 JIGA COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1cccc(Cl)c1 2903102 QSFCIJOKLOZGPB-DNTJNYDQSA-N 476.552 4.403 50 50 JIGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)c3ccc(COc4ccc5c(c4)CCC5)o3)ccc12 2851223 BFXCHOZHVAEFSH-UHFFFAOYSA-N 489.553 4.394 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(F)cc3)cc2)cc1 4230155 ODJXOKGZPNKGCY-OGLMXYFKSA-N 477.492 4.313 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2OC)cc1 4259464 JACVFVCQVHIEMM-ZXSUQFSISA-N 482.920 4.494 50 50 JIGA CCn1c2ccccc2c2cc(/C=N/NC(=O)CN3CCN(Cc4ccccc4)CC3)ccc21 19833012 IDSDSNMAXVLBRH-VUTHCHCSSA-N 453.590 4.082 50 50 JIGA COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl 2907461 BPGRGTSTGYQYIF-AFUMVMLFSA-N 492.384 4.348 50 50 JIGA COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 13758702 YPHJCPDDOCPTFU-XSFVSMFZSA-N 493.928 4.487 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 4355724 WSGFESCPPRJZNO-NFCNUSAFSA-N 467.319 4.160 50 50 JIGA N#C/C(=C\c1c[nH]nc1-c1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)OCCO2 20478895 NARBDAKDSBBGBD-NTEUORMPSA-N 451.280 4.156 50 50 JIGA COc1cccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)c1OC 9331331 STGAXICMKKFHBC-CQSZACIVSA-N 457.939 4.068 50 50 JIGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 4232132 OELVEOORAJBIHY-AFUMVMLFSA-N 452.923 4.386 50 50 JIGA COc1c(Br)cc(Br)cc1/C=N\NC(=O)CNc1ccc(C)cc1 16671435 RVTJKXAYXCHODO-NKVSQWTQSA-N 455.150 4.091 50 50 JIGA O=C(Nc1ccc(Br)c(Cl)c1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239121200 JMQKBAXIVMFFQO-BQSMKZTISA-N 483.971 4.265 50 50 JIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 43190748 KQXJUPKIONCUNV-MUFRIFMGSA-N 493.947 4.228 50 50 JIGA Cc1ccsc1/C=N/NC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 20426798 JFNWDARYQRRSTJ-LOLZCCBGSA-N 453.395 4.164 50 50 JIGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nnc2-c2ccccc2)cc1 2341545 WXGZABNLXRHJPL-MFKUBSTISA-N 472.530 4.393 50 50 JIGA COc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 2406913 JIZQBLCUOMNBRN-MUUNZHRXSA-N 479.540 4.104 50 50 JIGA O=C(NNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 731184494 YTSYAKHQTUKVFK-UIOOFZCWSA-N 488.551 4.106 50 50 JIGA Cc1ccccc1NC(=O)CCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 2941131 YFFFENNPXYJMAR-UFFVCSGVSA-N 483.160 4.095 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)cc2)cc1 220980183 LHIOWYSLCZBFBF-ZMOGYAJESA-N 453.292 4.446 50 50 JIGA COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)c(OC)c1OC 694824 WTVBZPMZSBEURV-BHGWPJFGSA-N 463.321 4.028 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1 2532225 ARBUHABPSQBLBX-LGJNPRDNSA-N 498.308 4.205 50 50 JIGA COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\S(=O)(=O)c3cccc(Cl)c3)N1CC2 18206143 IDCHNWYLAKJAAZ-NJNXFGOHSA-N 457.939 4.031 50 50 JIGA COc1cc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(OC)c1 863830 UFNZBUWNJVDWQG-JFLMPSFJSA-N 490.585 4.353 50 50 JIGA NNC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccc(Cl)cc1 55129602 KIXIRULYAWBLQH-NRFANRHFSA-N 487.785 4.024 50 50 JIGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1O 5358971 UBKHLYANWPDCRK-VULFUBBASA-N 460.559 4.350 50 50 JIGA CCOC(=O)c1ccc(NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 16218592 UEWUMLJKRDDVQL-UHFFFAOYSA-N 470.378 4.347 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 2572914 NDGJEAXLPPKGML-YDZHTSKRSA-N 468.263 4.340 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 4282883 FVTZKGHJIACMRV-OGLMXYFKSA-N 483.528 4.035 50 50 JIGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3nc(SCc4ccccc4Cl)nc(N)c32)c1OC 12371650 OTHHXYPZDXGQAM-QGZVFWFLSA-N 481.965 4.240 50 50 JIGA COC(=O)/C(=C(/O)NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102315662 IJXNZFNZCGMEKL-UHFFFAOYSA-O 482.496 4.311 50 50 JIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2ccc(Br)cc2)o1 649194 HQFUPOVKTUTXNB-LJQANCHMSA-N 459.296 4.266 50 50 JIGA Cc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@]2(C)c2ccccc2)C(C#N)=C(N)Oc2[nH]nc(C)c21 10035289 TWRHJGJERGJLIP-VSGBNLITSA-N 465.557 4.234 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)[C@@H](C)Oc2cccc(OC)c2)sc(C)c1-c1ccccc1 20294063 LVVSYNOAGFDHQF-CQSZACIVSA-N 499.614 4.304 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(=O)c1ccccc1 625533 LLQGGEZGMPHVOG-JOCHJYFZSA-N 466.449 4.239 50 50 JIGA Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)Nc3ccc4c(c3)OCO4)o2)c1 1117911 DZKLYHZERAQKBI-UHFFFAOYSA-N 451.479 4.486 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(F)cc1 4230017 DYCKPFUFXLAOHG-LQKURTRISA-N 455.445 4.287 50 50 JIGA COc1nn([C@H](C)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1[N+](=O)[O-] 20311343 IOOAWCLRTKRMLV-OKYTWDAHSA-N 492.319 4.397 50 50 JIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1OC 2530404 QLQOIBOODFKESY-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1 2531147 YCOJSFSXEFYSKH-JFLMPSFJSA-N 482.920 4.496 50 50 JIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)c(OC)c1 4327261 JRXVSSLPMUAYSQ-VULFUBBASA-N 468.893 4.106 50 50 JIGA N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@]12C(=O)N(Cc1cccc(Cl)c1)c1ccccc12 12376680 ZWYZKMSQWVTOFI-MUUNZHRXSA-N 494.938 4.150 50 50 JIGA biogenic CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 4231382 XZBARQJISDNKNB-XIEYBQDHSA-N 450.564 4.098 50 50 JIGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)cc([N+](=O)[O-])c1OC(=O)c1cccs1 8854878 COBLNTNANJYMQD-QGZVFWFLSA-N 495.517 4.339 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4282861 OEXXSLYMMZUVRV-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)sc(C)c1C 20343225 PQUXXXRKXOGMOM-UHFFFAOYSA-N 476.020 4.195 50 50 JIGA Cc1ccc(OCC(=O)N/N=C/c2cc(O)c(Br)cc2Br)cc1C 3136553 UWBMTLLHEOEVQK-DNTJNYDQSA-N 456.134 4.063 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)[C@@H](C)Oc2ccccc2OC)sc(C)c1-c1ccccc1 20294071 PIKQAHPPKKNKNK-CQSZACIVSA-N 499.614 4.304 50 50 JIGA CCn1c(SCC(=O)N/N=C(\C)c2ccc(Br)cc2)nnc1-c1ccc(OC)cc1 33915441 NOQAALWRJWYBOP-OEAKJJBVSA-N 488.411 4.369 50 50 JIGA COc1ccc(CC(=O)Nc2ccc(/C(C)=N\NC(=O)c3ccc(Br)o3)cc2)cc1 668442 KYHKOGVUXUVZSY-QFEZKATASA-N 470.323 4.386 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2570266 MKZCFBWYBGCVAW-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc2c(c1)OCO2 3024991 JGXHREKVKVGBGN-WYMPLXKRSA-N 467.275 4.161 50 50 JIGA O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21)[C@H]1COc2cc3ccccc3cc2O1 16677517 JREAVWWFFWXDCK-XWGMSIGLSA-N 477.520 4.089 50 50 JIGA CN(c1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 1206832 YCUIHODBXRZCOG-CVKSISIWSA-N 461.465 4.294 50 50 JIGA CC(C)CNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 2793657 RZJZZZHBYBUKLC-FUHWJXTLSA-N 482.576 4.432 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 2518510 DXTYOHGFCVPOFK-CVKSISIWSA-N 465.893 4.047 50 50 JIGA Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNS(=O)(=O)c3ccc(C(=O)O)cc3)cc2)c1 1875253750 VNZMRNKOGXGQLJ-UHFFFAOYSA-N 482.558 4.019 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(=O)/C=C/c1ccccc1 2542776 AYTQEFDOCOOKKN-VQZGIAJSSA-N 491.931 4.365 50 50 JIGA Cn1cc([N+](=O)[O-])c(C(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)n1 8454797 JUTPBFRKWGGURN-MRUKODCESA-N 498.330 4.311 50 50 JIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 8809690 MMTWVNPMLKKPPB-QFIPXVFZSA-N 458.474 4.264 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)[C@H](C)Oc2ccccc2OC)sc(C)c1-c1ccccc1 20294074 PIKQAHPPKKNKNK-AWEZNQCLSA-N 499.614 4.304 50 50 JIGA Cc1nnc(SCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)n1-c1ccccc1 4231390 LDCUJGWVBUBZES-JFLMPSFJSA-N 489.532 4.176 50 50 JIGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)cc1 4258646 AHBVUJWTDYEWJR-AFUMVMLFSA-N 479.334 4.099 50 50 JIGA COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCC(=O)O 15012367 FKRRFFPUVOFOMK-SDQBBNPISA-N 465.687 4.120 50 50 JIGA COc1ccc(NS(=O)(=O)c2ccc(/C(C)=N/NC(=O)CNc3ccc(C)cc3C)cc2)cc1 1875254118 VEGQZXCEIKYAMQ-ZXVVBBHZSA-N 480.590 4.065 50 50 JIGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 4230186 YHUXGDAKZVHLIM-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1 4259139 KXATXAHKFNYQOE-UXHLAJHPSA-N 489.572 4.333 50 50 JIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 2597733 NDFRFWHWPBWSKD-VULFUBBASA-N 468.893 4.106 50 50 JIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4209552 WJHCLPLMHPSMRT-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA CCOc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)ccc1OC 2388503 CGFYKTCQHQLCND-KEBDBYFISA-N 456.134 4.383 50 50 JIGA C/C(=N\Nc1nc(=Nc2ccccc2)nc(N2CCCCC2)[nH]1)c1ccc(NC(=O)CCl)cc1 334160580 HWTPIKGPTWLCDG-KBVAKVRCSA-N 478.988 4.041 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 43190608 XQPPOIHUYHYRQC-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC)c(Cn3nc(C)c(Br)c3C)c1)C(C#N)=C(N)O2 4162947 VMGCLQXGMMFRAL-IBGZPJMESA-N 497.397 4.213 50 50 JIGA COc1ccc(C(=O)N2CCC[C@H](C(=O)NNC(=O)c3ccc4ccccc4c3)C2)c2ccccc12 918108596 GSELHTBAODWASO-QFIPXVFZSA-N 481.552 4.315 50 50 JIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1 4260045 BIIFPQYFPPVJFO-UXHLAJHPSA-N 487.556 4.273 50 50 JIGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 13205516 JHAVUIUOBBOFIW-JFLMPSFJSA-N 472.570 4.422 50 50 JIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1Cn1nc(C)cc1C 2792339 WNFJXNFVOWRYLC-VWLOTQADSA-N 466.545 4.269 50 50 JIGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1 4230340 XIOJKHOEFZWZOM-AFUMVMLFSA-N 466.335 4.425 50 50 JIGA O=c1sc2ccccc2n1C[C@@H](O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100697760 CNQLEINSWNAPKY-JOCHJYFZSA-N 470.554 4.418 50 50 JIGA CC1(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2[C@H]1C[C@H](O)[C@]1(O)C[C@@](C)(O)[C@@H]3CC[C@H]([C@@H]31)[C@@]2(C)O 169833761 IYMPKNKDAVUKEM-LDGUIOIZSA-N 468.751 4.083 50 50 JIGA CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)ccc1O 1192357 WSSNJYDCPFXRTB-WGOQTCKBSA-N 473.558 4.281 50 50 JIGA COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)c1 16286468 DQAQUTSDSILJAG-KRWDZBQOSA-N 453.296 4.075 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1Cl 2584805 IMEKPNGPAVPYGH-DHRITJCHSA-N 483.864 4.005 50 50 JIGA C=CCc1cccc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2cccc(CC=C)c2O)c1O 12379099 IAEUKWVPCJCUMS-CZYCKNNWSA-N 490.604 4.496 50 50 JIGA C/C(=N\NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(C)o2)c1 685892 ACLQRGUPDVETAX-JZCUADNKSA-N 450.451 4.056 50 50 JIGA C=CCOc1ccc(/C=N/NC(=O)c2cc(Br)cc(Br)c2N)cc1 4231479 MYGVTYAHIGLFFW-UFFVCSGVSA-N 453.134 4.123 50 50 JIGA Cn1cccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 1474746 UWUQFQTTYLPEDB-ZVHZXABRSA-N 450.955 4.169 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2OC)cc1 2553278 TXEKCKPPQAMPSH-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1 4210658 OFCQOEDXXVNDDX-MUFRIFMGSA-N 451.530 4.036 50 50 JIGA C=CCOc1ccccc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 4232095 AOUYZPOBFXVJOQ-PCLIKHOPSA-N 469.950 4.470 50 50 JIGA CCOc1ccccc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 4232216 DOQFPKSVLPWKNY-BUVRLJJBSA-N 457.939 4.303 50 50 JIGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)ccc1OC(C)=O 863820 ICROSDCHLHYZRU-JFLMPSFJSA-N 488.569 4.261 50 50 JIGA Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(F)cc2F)C2=C1C(=O)CC(C)(C)C2 1422291 IPTQSZNORHNCIK-AREMUKBSSA-N 460.484 4.320 50 50 JIGA N#CC1=C(N)NC(SCC(=O)Nc2ccc(Br)cc2)=C(C#N)C12CCCCC2 3995828 DWQTXLQHPLDCMH-UHFFFAOYSA-N 458.385 4.104 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2OC)cc1 4327229 LUSHHFBRBYOAOI-OGLMXYFKSA-N 489.528 4.100 50 50 JIGA CCCc1n[nH]c2c1[C@H](c1ccc(OC)c(COc3ccc(F)cc3F)c1)C(C#N)=C(N)O2 12320950 UTGWNIFRKMWDNO-OAQYLSRUSA-N 452.461 4.446 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)c1 2531586 QPOXRJSSNGCSPT-BRJLIKDPSA-N 481.302 4.469 50 50 JIGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@@H](C)Sc3nc4ccccc4s3)ccc12 2857414 YLYCACLPTRLSTB-GFCCVEGCSA-N 470.601 4.210 50 50 JIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@@H](C)Oc3cccc(Cl)c3)c2)cc1 4360330 MHWCBNYNNOLCJD-KSXCTLEASA-N 452.894 4.485 50 50 JIGA CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 12292082 LWZBQAYMYXYDCN-UHFFFAOYSA-N 474.586 4.432 50 50 JIGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccc(OC)cc2)s1 5919329 RGUZNSWONVQJRG-XNTDXEJSSA-N 450.520 4.432 50 50 JIGA COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)/C=C/c1ccccc1 2521154 QGRKMCDFUBZPGC-FNPYFNSGSA-N 464.905 4.497 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1 2542609 BOTPMTFJHVKYHW-KBVAKVRCSA-N 495.535 4.256 50 50 JIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 8986624 NWTFBYNMONUJFL-BUVRLJJBSA-N 458.503 4.085 50 50 JIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 2531227 VJIHPZXVICPXKY-CCVNUDIWSA-N 465.937 4.116 50 50 JIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 4330401 AXORXVADWYNJOL-MUFRIFMGSA-N 451.530 4.036 50 50 JIGA COc1ccc(N(CC(=O)N/N=C(\C)c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)cc1 23634030 PTBACTPDNMPMFX-LHLOQNFPSA-N 465.575 4.048 50 50 JIGA Cc1cccc(NC(=S)NNC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@H]3C(F)F)c1C 2793772 NALNYNJXMDZVMN-OALUTQOASA-N 470.549 4.494 50 50 JIGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 4231976 LTUYDEZNNNFAKS-FSJBWODESA-N 493.328 4.466 50 50 JIGA COc1cc(OC)cc(C(=O)N/N=C(/C)c2ccc(NC(=O)c3ccc(Br)o3)cc2)c1 668677 CYUUPJPUQZEHAY-MXAYSNPKSA-N 486.322 4.466 50 50 JIGA CCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1OC 1818967 QEAYDZPIRWMJDV-WSDLNYQXSA-N 474.633 4.480 50 50 JIGA Cc1ccc(S(=O)(=O)[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)Cl)cc1 3129957 FZMROZRPJVDYMI-INIZCTEOSA-N 451.169 4.091 50 50 JIGA O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 20533856 MYCDRUWOWAUXSK-UHFFFAOYSA-N 487.497 4.170 50 50 JIGA O=C(N/N=C/c1ccccc1Br)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4230119 QWYRBILMRYUTFP-DHRITJCHSA-N 499.752 4.444 50 50 JIGA O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4282715 FNDGUNVLIJHBOM-DHRITJCHSA-N 455.301 4.335 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2518566 ACAZNZRZDXRXJJ-JFLMPSFJSA-N 481.936 4.415 50 50 JIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 4209423 FNXAKJAMPZGZAG-WKULSOCRSA-N 471.948 4.381 50 50 JIGA CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc(I)cc2C)cc1 2750602 VTQKJOSIBSTYNI-BRABVMKYSA-N 478.378 4.397 50 50 JIGA CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc(I)cc2C)cc1 2750604 VTQKJOSIBSTYNI-YQCVNYCESA-N 478.378 4.397 50 50 JIGA C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 4260312 GUQZOSJBTSBGGR-JVWAILMASA-N 476.920 4.246 50 50 JIGA C[C@H](NC(=S)NNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F)c1ccccc1 20613836 QKLSAZBNSSTYKT-JVPBZIDWSA-N 470.549 4.116 50 50 JIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)n2-c2ccc(C)cc2)cc1 2335553 JHGFPEPLIBOBRM-JFLMPSFJSA-N 485.569 4.492 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(O)cc2)cc1OC 2531421 CABPGAMEKSUASD-DHRITJCHSA-N 499.317 4.155 50 50 JIGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cc(Br)ccc3O)cc2)cc1 4231931 ORYFIRFZLKMSKZ-YDZHTSKRSA-N 488.363 4.028 50 50 JIGA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C#N)=C(N)O3)cc1OC 1112544 YAVUIZFJAAQAOC-NRFANRHFSA-N 484.468 4.124 50 50 JIGA COc1cc(Br)cc(/C=N/NC(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)c1O 2935146 WSUJRGVZDWETNM-MGIPQFLWSA-N 494.345 4.085 50 50 JIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1 4229822 VGTHECXYVFHCSK-WKULSOCRSA-N 487.947 4.081 50 50 JIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1cccc2ccccc12 4229997 KICMVIBZMPEAKG-VULFUBBASA-N 466.335 4.047 50 50 JIGA CC(=O)Nc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 20310079 RNUPMUBKQXKSMA-VULFUBBASA-N 451.910 4.407 50 50 JIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 4259051 HZFXNZCMRANCPG-OCSSWDANSA-N 465.509 4.248 50 50 JIGA COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)c1 9329494 VGLQBWZHYYKQAT-QGZVFWFLSA-N 472.364 4.168 50 50 JIGA Cc1cc2c(cc1Br)NC(=O)[C@]21C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 753100 KBDCRKNKTJWHCF-BSEYFRJRSA-N 476.330 4.072 50 50 JIGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1O 1474891 CSAIFCPORHEWQP-CVKSISIWSA-N 473.558 4.199 50 50 JIGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@H]1c1cc(Cn2cncn2)cs1 12428729 GNHHLHPBSWAJFT-OAQYLSRUSA-N 462.966 4.346 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccncc3)n2-c2ccc(Cl)cc2)cc1 1297544 QGALFRXRDZWEOT-VULFUBBASA-N 478.965 4.234 50 50 JIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1 2391640 FNAIBSDXLLDSDN-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(CC)cc3)cc2OC)cc1 4326716 CWAUCNQSOBSHGP-OGLMXYFKSA-N 476.529 4.405 50 50 JIGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/c2cc(Br)ccc2O)[nH]n1 5297088 DOPUEABHIXQPFA-WYMPLXKRSA-N 465.307 4.471 50 50 JIGA O=C(O)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 1776111387 SJYSWWADCAXHPN-ZMOGYAJESA-N 467.275 4.130 50 50 JIGA COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c1OC 2329771 FULDSAWLCGUVRL-SRZZPIQSSA-N 460.606 4.090 50 50 JIGA COc1c(Br)cc(/C=N/NC(=O)CNc2cccc(C)c2)cc1Br 3136460 HSFGFXCGQAZPOP-ZVBGSRNCSA-N 455.150 4.091 50 50 JIGA C/C(=N\NC(=O)c1c(Br)c(C)nn1C)c1cccc(NC(=O)c2ccccc2F)c1 685884 ZOSLVSMAAZDAIV-BRJLIKDPSA-N 472.318 4.036 50 50 JIGA CCOc1cc(/C=N/NC(=O)CSc2ncccn2)ccc1OCc1ccc(Cl)cc1 1191671 WFUQVKBCYGKCAV-LGJNPRDNSA-N 456.955 4.350 50 50 JIGA N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 12429097 BIJNYMBFNALRPO-IBGZPJMESA-N 498.568 4.419 50 50 JIGA CCn1c(SCC(=O)N/N=C/C(Cl)=C/c2ccccc2)nnc1-c1ccc(OC)cc1 2348069 UJWRXCGZIRTHGW-ZRLAZVNZSA-N 455.971 4.448 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(OC)c3)cc2)cc1 4303044 RZRIIOMHTHSSLQ-MTDXEUNCSA-N 489.528 4.182 50 50 JIGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCC)c(OCC)c2)C(C#N)=C(N)O3)cc1OC 8846380 RRIFYMLBPJYQGE-QFIPXVFZSA-N 476.533 4.500 50 50 JIGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 1469313 WDSYAQCPMCZONT-YZSQISJMSA-N 455.474 4.370 50 50 JIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2542443 YLHMZOANXRJEEJ-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 4354895 OHTJEPVEXIXUHE-OGLMXYFKSA-N 467.481 4.156 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2518475 NGTGYKANQXXTPQ-CVKSISIWSA-N 451.910 4.407 50 50 JIGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2)c1 2544178 GZRJTNRVNIRBGN-OGLMXYFKSA-N 451.482 4.456 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C)cc3)cc2OC)cc1 2391505 WXGUCROVHZIRFX-JVWAILMASA-N 462.502 4.151 50 50 JIGA CC1(C)[C@H](O)[C@@]2(Br)CC[C@@]1(C(Br)Br)[C@H]2Br 100097911 MXWOGZXJHDUNLB-OFLNYADTSA-N 469.837 4.180 50 50 JIGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 2282671 UTPXOKOZPNPAIP-UVHMKAGCSA-N 484.325 4.047 50 50 JIGA CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4282893 VTDZZUXCOPRDTG-HUHXJTTESA-N 485.334 4.373 50 50 JIGA COc1cccc([C@H]2C(C#N)=C(N)Oc3nc(SCc4ccccc4Cl)nc(N)c32)c1OC 12371649 OTHHXYPZDXGQAM-KRWDZBQOSA-N 481.965 4.240 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 2544463 CJXGWHCSPLCRGB-JVWAILMASA-N 478.501 4.094 50 50 JIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3)c2)cc1 4360317 MKKVJJBKSDLNOU-WBILBPDKSA-N 452.894 4.485 50 50 JIGA COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC3=C2C(=O)CCC3)ccc1O 2201091 XKYXRKSMLAGJDK-QHCPKHFHSA-N 479.533 4.341 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 2518483 XGTIIZTZYXTFPE-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccccc2Br)c1 2520272 VJAZUATWFSLACX-AFUMVMLFSA-N 479.334 4.099 50 50 JIGA COc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 2544251 ONUVXVSHYZTYLD-STBIYBPSSA-N 481.508 4.465 50 50 JIGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1OC 1193644 RBVMYZBXCLIINF-CVKSISIWSA-N 460.559 4.344 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3OC)cc2OC)cc1 4354840 XIBGWYAWWHEQNX-OGLMXYFKSA-N 492.528 4.241 50 50 JIGA O=C(CCn1nc(C(F)(F)F)cc1C1CC1)N/N=C/c1c[nH]nc1-c1ccc(Cl)cc1 13959447 BKUNEIJDCIEORP-KIBLKLHPSA-N 450.852 4.363 50 50 JIGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 825728 HCGHWOCKKGRCTC-SKLAUCLBSA-N 460.515 4.133 50 50 JIGA CC(=O)C[C@H]1O[C@@H](C#N)[C@@H]2C=C[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]12 169837734 DEVHQLZHCAGESE-FXRJOTQOSA-N 459.662 4.394 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3O)n2-c2ccc(C)cc2)cc1 1474484 SFKKQSPSFOGSAE-CVKSISIWSA-N 473.558 4.199 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2OC)cc1 2542803 UJNDXOXRAYZCJP-JFLMPSFJSA-N 495.919 4.055 50 50 JIGA CCOC(=O)c1ccc(NC(=S)NNC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 2857245 MJAIWPNVHKBLEG-UHFFFAOYSA-N 476.769 4.220 50 50 JIGA C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1 4259383 UKHNCHXDXDRLPX-JVWAILMASA-N 476.920 4.246 50 50 JIGA CCOc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1O 2337889 ORFGCFWZGQLZOJ-SSDVNMTOSA-N 474.633 4.486 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 2542717 VJWMXZKPBBMHOD-JFLMPSFJSA-N 479.920 4.355 50 50 JIGA CC[C@H](C)NC(=S)NNC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 2793875 HZZGDVUDUOGZSZ-JTQLQIEISA-N 460.781 4.182 50 50 JIGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 4302552 QUUNCIDNNPPLEJ-MOROIOLQSA-N 477.473 4.130 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(F)cc3)cc2)cc1 4302646 KINOEKMHHKDCAE-OCSSWDANSA-N 491.519 4.104 50 50 JIGA CCc1c(C)sc(NC(=S)NNC(=O)c2cc3c(s2)CCCCC3)c1C(=O)OC 20191504 OYSBLLMQPPOCIN-UHFFFAOYSA-N 451.639 4.367 50 50 JIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520431 QLVVAXPFAFNUDD-JFLMPSFJSA-N 471.904 4.229 50 50 JIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C1\C(=O)Nc2ccccc21 1477610 BZVUSNJLUAUKPI-UHFFFAOYSA-N 488.960 4.152 50 50 JIGA CCN(CC)c1ccc(/C=N/NC(=O)/C(=C/c2ccc(OC)cc2)NC(=O)c2ccccc2)c(O)c1 2907505 PHPZKYRUWDHDMZ-ZQCLARSMSA-N 486.572 4.168 50 50 JIGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 4261021 RHPQSXBDQRVDDJ-JVWAILMASA-N 469.453 4.496 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](O)c2ccccc2)cc1 4355673 QYTLHROGKORZPP-QVGKIPNLSA-N 497.345 4.251 50 50 JIGA Cc1ccc(-c2cc(C(=O)NNC(=O)NCc3ccc(CN4C[C@H](C)C[C@@H](C)C4)cc3)n[nH]2)cc1 916420656 RYQZTWOGFUEVRO-WOJBJXKFSA-N 474.609 4.007 50 50 JIGA Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N3c4c(cccc41)[C@H](C)CC3(C)C)C(C#N)=C(N)O2 2199277 IGKBQQYBPQYDAW-RXAIFQJESA-N 451.530 4.186 50 50 JIGA N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@H]1c1ccc(Br)cc1 2458416 AJTRFIUIZNLEAC-INIZCTEOSA-N 460.328 4.299 50 50 JIGA O=C(Cc1ccccc1)NNC(=S)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2777184 ROSDUDMHFHCASK-UHFFFAOYSA-N 474.973 4.433 50 50 JIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1 4261029 WFGZRLPAHKNNIR-OCSSWDANSA-N 467.525 4.308 50 50 JIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 25504601 DZVFNLBZHHZRJL-KBVAKVRCSA-N 495.535 4.256 50 50 JIGA CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1ccc(C)c([N+](=O)[O-])c1 2857906 IBMOTTBLTYIGFJ-UHFFFAOYSA-N 484.559 4.440 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)Cc2ccc(Br)cc2)sc2c1CCCCC2 2857010 BBQVTVKQJGVNBD-UHFFFAOYSA-N 496.452 4.126 50 50 JIGA COc1ccc(/C=N\NC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)c2ccccc12 20568783 GWWOAXSKYBYSDN-RMORIDSASA-N 498.293 4.121 50 50 JIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 4260246 BTHDPUAAVIFKRW-IPPBACCNSA-N 475.911 4.212 50 50 JIGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(Br)cc1OCc1ccc(F)cc1 1134560 KLTWNDFLFCSGGY-FQEVSTJZSA-N 485.313 4.426 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C)cc2OCC)cc1 4283367 PRNVTPNJYRJKJI-OGLMXYFKSA-N 489.528 4.100 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OC)cc2OC)cc1 4296371 BYODYSQDBCAZFG-WPWMEQJKSA-N 462.502 4.476 50 50 JIGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c1 4347249 LXVTVRZVAOMGLO-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA O=C(COc1ccccc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2543255 RUMCVCLGNXMOPC-ZVHZXABRSA-N 453.292 4.197 50 50 JIGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 4372649 MXCQORUUJVOLEG-KSXCTLEASA-N 452.894 4.485 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3F)n2-c2ccc(OC)cc2)cc1 1243489 YJTIMXZWTOSSMF-JFLMPSFJSA-N 491.548 4.333 50 50 JIGA COc1ccc(CC(=O)N/N=C/c2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)cc1 668889 KOPVJPOQGMJSBQ-CVKSISIWSA-N 463.490 4.192 50 50 JIGA COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1F 1142185 DQPMYTFANFBKHK-UXHICEINSA-N 453.495 4.084 50 50 JIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 664188 QNJKJOJARFRQLD-HHHXNRCGSA-N 481.895 4.366 50 50 JIGA biogenic,in-vitro COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccccc1F 1113318 PPYMYTVFCVDCHN-QFIPXVFZSA-N 467.522 4.075 50 50 JIGA COc1c(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cccc1[N+](=O)[O-] 2173080 HLHLFMNICLBQJG-KBPBESRZSA-N 458.106 4.442 50 50 JIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1OC 43190736 SAARXCRDNFFLQX-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C1C[C@H](c1ccccc1)CC2=O 1176921 PCYCZGHJTBIWSK-HTAPYJJXSA-N 463.379 4.420 50 50 JIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 4261144 NBAGEDBZCKCIFA-WKULSOCRSA-N 487.947 4.081 50 50 JIGA O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1 2542605 OMBPLAAUEVONCG-BHGWPJFGSA-N 489.709 4.497 50 50 JIGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4283442 CTPNBUUODFGTFZ-MUFRIFMGSA-N 493.947 4.228 50 50 JIGA CCOc1cc(/C=N/NC(=O)c2cnccn2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2521803 CBKSZJGGZIPTGX-KBKYJPHKSA-N 459.289 4.165 50 50 JIGA O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O 9011768 ZNDKJQKSYNJTOC-BRJLIKDPSA-N 466.950 4.392 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1 2520174 AKMMCUGRCLEGGK-WPWMEQJKSA-N 459.502 4.092 50 50 JIGA C=CCOc1cccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 4232257 NIICLSTUJJTCRR-PCLIKHOPSA-N 469.950 4.470 50 50 JIGA CC(=O)O[C@@H]1O[C@]2(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)C[C@H]1S(=O)(=O)c1ccccc1 169836762 QHXNLNGMJKAPJD-XAPVIXHLSA-N 454.661 4.452 50 50 JIGA COC(=O)COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 1142334 LNPKSAPBBDIYBS-QFIPXVFZSA-N 495.329 4.381 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccncc3)n2-c2ccc(C)cc2)cc1 1244131 BGPCYNMFVRNEIP-OVVQPSECSA-N 472.574 4.279 50 50 JIGA O=C(N[C@H](C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 3012418 KKMVPYFZNAUFDX-HNNXBMFYSA-N 471.587 4.436 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)sc2c1CC[C@@H](C)C2 4261105 AQGNAPGMOYTPPM-BPDROILWSA-N 482.389 4.445 50 50 JIGA O=C(O)CCSSCCNC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 1875388920 VRCOFAYBAUIDBQ-UHFFFAOYSA-N 454.017 4.381 50 50 JIGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCC)c(OCC)c2)C(C#N)=C(N)O3)cc1OC 8846381 RRIFYMLBPJYQGE-JOCHJYFZSA-N 476.533 4.500 50 50 JIGA Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 2699731 MZICXMIHKLHRAT-MFKUBSTISA-N 472.530 4.393 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 4282910 WEWDGRXVTRGLMY-LQKURTRISA-N 471.492 4.166 50 50 JIGA CCCc1n[nH]c2c1[C@H](c1ccc(OC(=O)c3cccc([N+](=O)[O-])c3C)c(OC)c1)C(C#N)=C(N)O2 16319983 HLELGNDGESNNHA-OAQYLSRUSA-N 489.488 4.025 50 50 JIGA O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1N1CCOCC1 100497445 OTULXDMVMSGRMZ-UHFFFAOYSA-N 464.889 4.471 50 50 JIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2542646 NHSYTKKPGNNYOH-RWPZCVJISA-N 465.937 4.198 50 50 JIGA CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 4292946 OOQRCEWAGAREOY-WGLQLPMYSA-N 452.894 4.142 50 50 JIGA COc1cccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)c1 9088744 BXUMSODEFRGRHF-KRWDZBQOSA-N 472.364 4.168 50 50 JIGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(Br)s2)n[nH]1 13479335 ZMKRMFVGLSCANA-SSDVNMTOSA-N 469.368 4.467 50 50 JIGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)CC(c1ccccc1)c1ccccc1 16347259 LMJYBGQAUKHJOX-UHFFFAOYSA-N 450.520 4.143 50 50 JIGA CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 20572753 OEUHQMDWRFBVSI-PTGBLXJZSA-N 463.578 4.294 50 50 JIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1 2519992 KFPJCFJJEPSMRB-WKULSOCRSA-N 471.948 4.381 50 50 JIGA O=C(N[C@@H](C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 3012417 KKMVPYFZNAUFDX-OAHLLOKOSA-N 471.587 4.436 50 50 JIGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(Br)c1OC(C)=O 16293193 XXAWEIVPMLJGEF-HNNXBMFYSA-N 487.335 4.053 50 50 JIGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)CCC2)[C@@H]1c1cc(Cn2cncn2)cs1 12428728 GNHHLHPBSWAJFT-NRFANRHFSA-N 462.966 4.346 50 50 JIGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccnc1 4229960 XRLGCDWSKLPZLZ-FCMDDMHUSA-N 450.292 4.227 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)o3)n2-c2ccccc2)cc1OC 1296848 MCJHRRMOSGSDOR-AFUMVMLFSA-N 477.546 4.095 50 50 JIGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 1454946 IDCPPAQFXVPUHJ-VULFUBBASA-N 468.893 4.106 50 50 JIGA COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 1474956 QJXPEQZJGWUGPH-WGOQTCKBSA-N 457.559 4.494 50 50 JIGA CCn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nnc1-c1ccc(OC)cc1 2343834 OOWOCDLXAIMTLP-AFUMVMLFSA-N 461.547 4.075 50 50 JIGA COc1ccccc1NC(=O)C(=N\Nc1ccc(Cl)cc1C)/C(C)=N/NC(=O)c1ccncc1 25585378 OIDBYIZIZIWCIX-YSVVUUGTSA-N 478.940 4.265 50 50 JIGA O=C(CCCC[C@@H]1CCSS1)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 728538289 NWTRUKNNHUXONB-LJQANCHMSA-N 479.693 4.172 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 1427501 IXIUUWJSHDBMBH-VULFUBBASA-N 452.894 4.405 50 50 JIGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 2073465 CARBEXYTOMIAGR-JVWAILMASA-N 485.569 4.272 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2544277 MXHRTZJROKIFFZ-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA Cc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccc(F)cc2)cc1 2931152 VAQQCVAEBGYKSG-AFUMVMLFSA-N 459.930 4.133 50 50 JIGA Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 2836389 DLQPZKYEELNUHM-OAHLLOKOSA-N 456.911 4.267 50 50 JIGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@]21C(=O)N(Cc2cccc(F)c2)c2ccccc21 12413811 QTWIEXUJLLRYHC-AREMUKBSSA-N 489.528 4.292 50 50 JIGA O=C(NNc1nnc(-c2ccccc2)n1-c1ccccc1)[C@H]1CCCN1c1ncnc2sccc12 728602126 JBZLXLSFHPSVBE-HXUWFJFHSA-N 482.573 4.051 50 50 JIGA CCOc1cc(I)cc(/C=N/NC(=O)COc2cccc3ccccc23)c1O 3148936 GMRSSQDUZWCKKM-FSJBWODESA-N 490.297 4.078 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1ccc(Cl)cc1 2571666 DPBJMILVUROTSR-VULFUBBASA-N 452.894 4.405 50 50 JIGA C=C(C)Cn1c(SCC(=O)N/N=C/c2cccc(O)c2)nnc1-c1ccc(Br)cc1 2578348 PKYLFNKNWNMMGZ-FOKLQQMPSA-N 486.395 4.232 50 50 JIGA CCOc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F 2794637 FYWSSZMCODFWLT-ROUUACIJSA-N 486.548 4.276 50 50 JIGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)c2cc(Br)ccc2Cl)s1 2852346 MALXTGQZFJCGAK-UHFFFAOYSA-N 476.805 4.144 50 50 JIGA COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1 1195870 DJCXAOSDVGWWSW-NDZAJKAJSA-N 481.552 4.267 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)sc2c1CC[C@H](C)C2 2520315 AQGNAPGMOYTPPM-QPDIMOPTSA-N 482.389 4.445 50 50 JIGA CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(OC)c(OC)cc2Br)C(C#N)=C(N)O3)cc1 9282141 HAUBNICOERVBOV-LJQANCHMSA-N 497.349 4.473 50 50 JIGA O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1 2075505 WCVHPSXCBNNCFL-ZVHZXABRSA-N 452.308 4.117 50 50 JIGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1 9763049 KYPPNFYECHIXDD-UHFFFAOYSA-N 471.904 4.395 50 50 JIGA CCCOc1c(Br)cc(/C=C(/C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 20572784 YXHGRENFYHQFKB-APSNUPSMSA-N 473.323 4.199 50 50 JIGA COc1cccc(/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c2cccc(OC)c2)c1 23634287 FKEHJNBFDZVDBE-BFNWXZRRSA-N 452.555 4.035 50 50 JIGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2544308 ABPPDXWJYDVDPH-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA CCN(CC)C(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)OCc2ccccc2)=C(C)N1 20170744 DPEMFYNWADJESJ-QHCPKHFHSA-N 465.575 4.321 50 50 JIGA CC(=NNC(=O)[C@@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1C)c1ccc(C)cc1 245238946 CSVYUXLZCVXESV-MRXNPFEDSA-N 457.003 4.410 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]21C 256072846 BDSYKGHYMJNPAB-TVHDLFQESA-N 484.967 4.051 50 50 JIGA world CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 257355368 AJWNGOKNEBVXJK-LRWOEMNKSA-N 471.009 4.407 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2)cc1OC 2531105 IGNKAHYEUDZVSC-VULFUBBASA-N 468.893 4.106 50 50 JIGA Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C4/C(=O)Nc5ccccc54)[nH]n3)cc2)cc1 2195219 AUWBKRBBKNOGQL-UHFFFAOYSA-N 451.486 4.050 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2O)cc1 2520038 BJLZSJXXQGSAKA-ZMOGYAJESA-N 453.292 4.446 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1 4259107 GAEJRSWNCMIDEF-VULFUBBASA-N 451.910 4.325 50 50 JIGA CCOc1ccc(/C=N/NC(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)cc2)c(OCC)c1 220980740 ZDDJCYRJRSCGBO-YZSQISJMSA-N 466.559 4.389 50 50 JIGA COc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1OC 13618183 LBWCSCWIWRWATE-HYARGMPZSA-N 474.633 4.480 50 50 JIGA O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 59824317 RMOYQRYPDAGFAZ-QHCPKHFHSA-N 492.484 4.319 50 50 JIGA O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(COc2ccc(Br)cc2)o1 673543 AHWCCQCHXUAWEP-WSDLNYQXSA-N 458.268 4.222 50 50 JIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cccc(OCc3cccc(Br)c3)c2)c1 4210642 JQIJFCGUIUDHMA-MZJWZYIUSA-N 480.362 4.217 50 50 JIGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4258954 NHDKBNHBKZHGRS-OKCVXOCRSA-N 469.472 4.078 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])cc2)cc1 4355370 HLLFMYDPXLOKAS-MOROIOLQSA-N 477.473 4.130 50 50 JIGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC)c(CSc3nnc(C)s3)c1)C(C#N)=C(N)O2 16319352 IWAUAUJQZKGSTJ-KRWDZBQOSA-N 454.581 4.041 50 50 JIGA COc1ccc(Br)cc1C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 252679489 NHYLJVXMHAZOGN-UHFFFAOYSA-N 494.802 4.149 50 50 JIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3c(F)cccc3F)ccc2[C@@H]1c1ccc(F)c(F)c1 1857800700 QJYYHYCHCDRDJF-FQEVSTJZSA-N 476.407 4.229 50 50 JIGA N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 12376685 DZJJJQFUPDYZPT-NDEPHWFRSA-N 494.938 4.150 50 50 JIGA biogenic CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OC(=O)c1ccc(Cl)cc1 2531658 BNHWFWUSHADNLG-JFLMPSFJSA-N 479.920 4.355 50 50 JIGA COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 4283400 YVZJPYIXWNHKTG-STBIYBPSSA-N 481.508 4.294 50 50 JIGA COc1ccc(CCNC(=S)NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1OC 16346578 PCOOEBAAOOIXPP-HSZRJFAPSA-N 481.643 4.275 50 50 JIGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2cc(Br)ccc2O)[nH]n1 1454687 YBSRNOPBEUSPAQ-WYMPLXKRSA-N 479.338 4.111 50 50 JIGA C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OCC 2502489 QQUFONGBWCVQLN-FQEVSTJZSA-N 471.307 4.359 50 50 JIGA COc1cc(OC)c(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c(OC)c1 946727 XOMHHRGVKXSXQG-MZJWZYIUSA-N 456.502 4.118 50 50 JIGA O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1 2571834 LMMZZVQNBDGCGL-ZVHZXABRSA-N 452.308 4.117 50 50 JIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=S)Nc1ccccc1 1033659 MXVJIPKPBBEEFC-UHFFFAOYSA-N 460.588 4.044 50 50 JIGA O=C1c2ccccc2C(=O)N1CCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1 33354571 HLJYHSDXFGOXBZ-UHFFFAOYSA-N 467.461 4.001 50 50 JIGA C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 12560971 HCIBZFKTMNLFLH-DEDYPNTBSA-N 459.578 4.371 50 50 JIGA O=C(N/N=C/c1ccc(Cl)cc1)c1nn(Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 1086741 RZCZZJMLCPCTSK-ZVBGSRNCSA-N 462.691 4.019 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccco3)n2-c2ccccc2)cc1OC 2349026 PFVRBQCMJXAWOO-PUOCKCQTSA-N 489.557 4.452 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2506355 TVTLJIWNOSAHRH-VULFUBBASA-N 452.894 4.405 50 50 JIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2542973 LEIYFCKUCFHWBS-WKULSOCRSA-N 493.947 4.146 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 2544235 CMIHTCIYFMDZQN-CVKSISIWSA-N 465.893 4.047 50 50 JIGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccc(OCc2ccccc2)cc1 19849407 PNSMCOURMJXJGH-RDRPBHBLSA-N 477.008 4.187 50 50 JIGA O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1cccc2cccnc12 1208081 DSPXQWDHWVOVNT-LQKURTRISA-N 465.542 4.120 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)sc2c1CC[C@H](C)C2 2520243 DFABZSGZGUEABC-IXORVSQSSA-N 463.559 4.292 50 50 JIGA COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)c1 16286466 DQAQUTSDSILJAG-QGZVFWFLSA-N 453.296 4.075 50 50 JIGA O=C(NNC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl 263640158 ZOHWYNNGJDALMR-ZDUSSCGKSA-N 481.689 4.491 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 4327037 HRUQYBJSTWOWFV-STBIYBPSSA-N 481.508 4.465 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2544410 HJFFJTOKKMIGKP-ZMOGYAJESA-N 498.289 4.349 50 50 JIGA O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)Nc1ccc(Br)cc1Cl 2858097 AAHQQXOZTYWRDV-UHFFFAOYSA-N 466.641 4.353 50 50 JIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 4372856 CZMZLAYMCLPJKS-AFUMVMLFSA-N 483.318 4.206 50 50 JIGA CCCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 2883294 RWVIVIQUPMIOAS-UHFFFAOYSA-N 467.378 4.071 50 50 JIGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccc(O)c(O)c1 2262296 JHBUJMGTGWLLJX-DNTJNYDQSA-N 466.997 4.137 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 2518503 VQQINYXBXFTFIK-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O 1227860 FFBVLUVHKIFBAP-XCLFUZPHSA-N 467.319 4.372 50 50 JIGA COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)c1ccc(Br)o1 20220754 QOXSYLQAJRUOLD-UHFFFAOYSA-N 480.365 4.189 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 2544259 YQVXSEKOCQYKTD-OGLMXYFKSA-N 467.481 4.156 50 50 JIGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)sc2c1CCCC2 4210031 KOBOHKDZBRGATI-MUFRIFMGSA-N 494.580 4.440 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cc3ccccc3nc2Cl)sc2c1CC[C@@H](C)C2 4259134 VOYPNWBSDZJOCN-SUZBBLJPSA-N 498.992 4.340 50 50 JIGA COc1cccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)c1 4292832 XZRQAYMXCAKZEL-OGLMXYFKSA-N 467.481 4.156 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc([N+](=O)[O-])cc1 2187973 QIXVUYSBFWOYLE-YDZHTSKRSA-N 468.263 4.340 50 50 JIGA O=C(O)/C(=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 97944211 XQLFAVGSYSYJNF-QLYXXIJNSA-O 452.470 4.337 50 50 JIGA COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1F 1142184 DQPMYTFANFBKHK-WOJBJXKFSA-N 453.495 4.084 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)/C=C/c1ccccc1 2521224 VZLWFAUDZKBSRH-WRWCYYSYSA-N 490.512 4.104 50 50 JIGA CC(C)CNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 2793660 RZJZZZHBYBUKLC-AEFFLSMTSA-N 482.576 4.432 50 50 JIGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3ccc(F)c([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c1 673532 FSRSWYGUGPQHOQ-QFIPXVFZSA-N 464.453 4.056 50 50 JIGA COc1ccc(/C(C)=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)cc1OC 5353589 CPAYKYDRYLJJHM-CVKSISIWSA-N 458.522 4.050 50 50 JIGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1 4282969 HTSQLJIHFKXDEC-JVWAILMASA-N 462.502 4.015 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(O)cc1 2532234 VWGUHBFNTJARJB-ZMOGYAJESA-N 453.292 4.446 50 50 JIGA CCOc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F 2794635 FYWSSZMCODFWLT-MSOLQXFVSA-N 486.548 4.276 50 50 JIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 3101067 ZORURGYGVMHNPA-AFUMVMLFSA-N 483.318 4.206 50 50 JIGA O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 4282916 RPIYOVHPICLJSR-DHRITJCHSA-N 499.752 4.444 50 50 JIGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc3ccccc23)c1 2520321 BALXRMOWAZQKIK-OGLMXYFKSA-N 450.498 4.489 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OC)cc3)cc2)cc1 4287145 DLMIATHXQWQOQD-MTDXEUNCSA-N 489.528 4.182 50 50 JIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 2391632 PKWIHCRFPCYCRX-OGLMXYFKSA-N 467.481 4.156 50 50 JIGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2nccs2)N1 4650312 ODSNJLZUDNTTAU-HXUWFJFHSA-N 477.571 4.443 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1 4355675 QYTLHROGKORZPP-WGLQLPMYSA-N 497.345 4.251 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 2542450 WFKQPIRUTDECDU-MUFRIFMGSA-N 485.471 4.296 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)cc1 4282702 QNPIPPJMGDYBSP-WGOQTCKBSA-N 477.473 4.132 50 50 JIGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 4260451 UIYTYFKSTHHGBI-WBILBPDKSA-N 485.606 4.317 50 50 JIGA COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)/C=C/c1ccccc1 4302939 NKNPESYXHGPPNC-IGWRMGQKSA-N 489.484 4.140 50 50 JIGA N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)N1CCN(c2ccccc2)CC1 15769759 HZDQVDDZFNICLH-QJOMJCCJSA-N 468.513 4.430 50 50 JIGA COC(=O)c1sc2cc(NC(=S)NNC(=O)c3cc(Cl)ccc3O)ccc2c1Cl 20220591 YJXRCRKQPFOUEL-UHFFFAOYSA-N 470.359 4.332 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)cc3)cc2)cc1 2325809683 XDSRRFADEFLAIP-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 8454622 PSPWVQBKYAODGE-NRFANRHFSA-N 485.334 4.291 50 50 JIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 8809689 MMTWVNPMLKKPPB-JOCHJYFZSA-N 458.474 4.264 50 50 JIGA O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 8829876 CUJCCQNWSXZLIF-AFUMVMLFSA-N 459.999 4.115 50 50 JIGA Cc1ccc(NC(=S)NNC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@H]3C(F)F)c(C)c1 2793887 AHBFWOOPNFHTJD-OALUTQOASA-N 470.549 4.494 50 50 JIGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc(Br)c2)C2=C1C[C@H](c1ccccc1)CC2=O 691423 KNVVLLHTJHNKKH-HTAPYJJXSA-N 463.379 4.420 50 50 JIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 2530399 JDDCMQNEYVDBPI-OGLMXYFKSA-N 451.482 4.456 50 50 JIGA COc1cc(C(=O)Oc2cc3c4c(c2)C(=C(C#N)C#N)C(=O)N4C(C)(C)C=C3C)cc(OC)c1OC 9307255 WLDAQLSEUPKBHO-UHFFFAOYSA-N 485.496 4.274 50 50 JIGA CCOC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(C)cc2)sc2c1CCCC2 20168479 YFSRSWOEWSVXLV-UHFFFAOYSA-N 477.677 4.363 50 50 JIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc(OC)c1OC 4372718 NKNYLCNOJZFZDL-VULFUBBASA-N 468.893 4.349 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 25782034 JIUNZNOOZSINNG-MOROIOLQSA-N 477.473 4.130 50 50 JIGA O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)cc(Br)c1O 1069107 JDBUNAYTLPYVFA-FBCYGCLPSA-N 484.173 4.036 50 50 JIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccccc2OC)cc1 1207852 TTWTYFPLGYAOJL-JVWAILMASA-N 456.502 4.086 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccc(CC)cc2)ccc1OC(=O)c1ccc(OC)cc1 4355199 SCJVKWDWTHRUBW-OGLMXYFKSA-N 476.529 4.405 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)cc(Br)c1OC(C)=O 16293191 XXAWEIVPMLJGEF-OAHLLOKOSA-N 487.335 4.053 50 50 JIGA CCOc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 1461516 HLAKLRLRVLQHCS-WQIZZMQYSA-N 478.556 4.330 50 50 JIGA CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 4292943 OOQRCEWAGAREOY-QVGKIPNLSA-N 452.894 4.142 50 50 JIGA O=C(CSCc1ccc(F)cc1)NNC(=S)Nc1ccc(Br)cc1Cl 20457943 LAXBEYIHBBLURY-UHFFFAOYSA-N 462.797 4.493 50 50 JIGA COc1ccc(N(CC(=O)N/N=C/c2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 2903555 HAFLNSLWNYEJAR-AFUMVMLFSA-N 492.384 4.348 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)c1 2543085 BECRGDDMYXJXQF-RWPZCVJISA-N 486.553 4.115 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 3977767 CBGUOGMQLZIXBE-XGQKBEPLSA-N 466.977 4.103 50 50 JIGA biogenic,fda O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-] 1210384 AWGQWZPJNQBASD-BUVRLJJBSA-N 458.503 4.085 50 50 JIGA Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 2901775 RFEYKBBAOFTDMI-OVVQPSECSA-N 457.555 4.494 50 50 JIGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 2520157 WJQFDCWYLPSLFC-OGLMXYFKSA-N 451.482 4.456 50 50 JIGA CCc1c(C(=O)NNC(=S)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)csc1C 20191666 SIDDCEUUQGNSLX-JTQLQIEISA-N 451.639 4.223 50 50 JIGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Br)c1O 1227862 FFBVLUVHKIFBAP-RBZFPXEDSA-N 467.319 4.372 50 50 JIGA CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)=C\c1ccccc1 12342784 JWPSLLUUDCBWNN-JXKGKVAZSA-N 498.495 4.191 50 50 JIGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1cccc(Br)c1 4209982 RPNIDULSUPFRQP-LSFURLLWSA-N 450.745 4.197 50 50 JIGA COc1ccccc1/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c1ccccc1OC 4527880 GYTJVTMEEBMTJQ-BFNWXZRRSA-N 452.555 4.035 50 50 JIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/C=C/c2ccccc2)cc1 2520222 HINCJZGSLOVDBV-YWQNRBPGSA-N 456.502 4.092 50 50 JIGA CCCCOc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 5344790 BQOFHIZJSYRURJ-XIEYBQDHSA-N 451.548 4.430 50 50 JIGA CCOC(=O)c1c(NC(C)=O)sc2c(OC(=O)CCBr)c(Br)ccc12 2075008 OLXGNEUWVCLVTP-UHFFFAOYSA-N 493.173 4.489 50 50 JIGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 2518592 VXDJLXAKPSQMMP-DHRITJCHSA-N 456.285 4.301 50 50 JIGA CCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cc(OC)c(OC)c(OC)c3)c21 4126352 FTXWIYIEAMCSPS-HXUWFJFHSA-N 462.506 4.109 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc(OC)c1OC 5297100 FINDALUDNLFCCP-VULFUBBASA-N 460.490 4.028 50 50 JIGA NNC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1Cl 55450221 VUURUYRMALZRDT-NRFANRHFSA-N 487.785 4.024 50 50 JIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)cc1 2518738 RHPAUGWSGIOJEP-DHRITJCHSA-N 456.285 4.301 50 50 JIGA N#Cc1c(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 2553618 HGCPUJJXGOWFPF-JFLMPSFJSA-N 458.543 4.166 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(OC)cc3)cc2)cc1 4260836 MHDIDURTEUSJIY-WPWMEQJKSA-N 462.502 4.232 50 50 JIGA Cc1ccc(C(=O)NNC(=O)CCCCCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 8763452 OBWCHRZVVCSRJF-NBVRZTHBSA-N 473.645 4.279 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OC(=O)c1ccc(Cl)cc1Cl 2543014 FBLYDGNWYFEUEV-OPEKNORGSA-N 475.284 4.396 50 50 JIGA COc1ccc(-c2cc(C(=O)N/N=C/C(Br)=C/c3ccccc3)[nH]n2)c(OC)c1 5402814 BAIBEYYIOPWVNQ-NJCSLMMNSA-N 455.312 4.246 50 50 JIGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1O 945002 WZVSSPOBZAAAJQ-UFWORHAWSA-N 452.355 4.015 50 50 JIGA CC(C)(C)c1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)cc1 2851500 BAVMJZVITGLURG-UHFFFAOYSA-N 461.587 4.366 50 50 JIGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 4283194 MJIGNESMHBIYMV-ZMOGYAJESA-N 498.289 4.106 50 50 JIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 4518091 ASWSSYTUVVJZRI-MFKUBSTISA-N 472.530 4.393 50 50 JIGA C[Si](C)(C)OC[C@@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 247549544 VNGTZLYNGGLPIZ-NXOAAHMSSA-N 466.872 4.424 50 50 JIGA in-vitro CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)ccc1O 1192932 NMYZAWHHSSRNIJ-CVKSISIWSA-N 460.559 4.431 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2532130 NCLPPFHOQMJEQO-XODNFHPESA-N 484.339 4.401 50 50 JIGA Cc1ccc(O[C@H](C)C(=O)NNC(=S)Nc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 1118105 DZVNTKZVUVWLRW-SNVBAGLBSA-N 487.763 4.104 50 50 JIGA Cc1nn(C)c(C)c1[C@@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)C(F)(F)F)nn2-c1ccccc1 2789540 GGQQSOYBUGEQKS-HNNXBMFYSA-N 464.398 4.095 50 50 JIGA COc1ccc(/C=N/NC(=O)c2sc3cc(F)ccc3c2Cl)cc1CN1CCOCC1 19832242 WVJBQLGEJBMPEV-BRJLIKDPSA-N 461.946 4.299 50 50 JIGA O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21)[C@@H]1COc2cc3ccccc3cc2O1 16677516 JREAVWWFFWXDCK-MMZFVREHSA-N 477.520 4.089 50 50 JIGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])s2)cc1 2359236 LDZSGILKASOYQP-KEBDBYFISA-N 459.578 4.289 50 50 JIGA O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 15774706 APNNCYFFBYOLGG-GFMRDNFCSA-N 479.290 4.038 50 50 JIGA C[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 20311395 UPDYBRNDNUUTKA-AUXCUJNGSA-N 464.366 4.418 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2)cc1 2542862 UDUSCLJYSURNHD-CVKSISIWSA-N 452.894 4.487 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4230213 OOWYRYVCVIQOQT-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4259768 COCKISCTUOMGBY-LKXDQBMJSA-N 461.905 4.356 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc(OC)c1OC 5297074 CIGBFNQPFCVDSU-MZJWZYIUSA-N 456.502 4.118 50 50 JIGA CCOC(=O)/C(C#N)=C(\O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 103542955 YNPLVKBZCRSFST-ATJXCDBQSA-N 478.505 4.439 50 50 JIGA CCOc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 1461517 HLAKLRLRVLQHCS-OHZJNBGDSA-N 478.556 4.330 50 50 JIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 8404685 GXHMLNCEYAKKKJ-NRFANRHFSA-N 459.462 4.444 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4259983 KNNJEUSNFKMHIW-CVKSISIWSA-N 465.893 4.047 50 50 JIGA Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C1\C(=O)N(C)c2c(C)cc(Br)cc21 100321857 PALASGABBLZLCG-QOMWVZHYSA-N 472.383 4.239 50 50 JIGA O=C(COc1ccc(F)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2542490 SESNJLOHVMVQIR-DHRITJCHSA-N 471.282 4.337 50 50 JIGA CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2F)nnc1-c1ccccc1 864012 UZRXBRZHJOYSMK-SSDVNMTOSA-N 462.348 4.109 50 50 JIGA COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(OC)cc2)=C(C#N)[C@H]1c1ccccc1F 1113323 PPYMYTVFCVDCHN-JOCHJYFZSA-N 467.522 4.075 50 50 JIGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(Br)s1 12343076 RKHVUNGNLDQXRE-UWJMNNEMSA-N 459.001 4.247 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 43761038 IXOLIJDVDXNTJA-VULFUBBASA-N 494.345 4.374 50 50 JIGA N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 12428882 CKURAXPXBXCSIC-LJQANCHMSA-N 498.568 4.419 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2518544 WBNIXOOJETZVBS-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OC(=O)c1ccc(OC)cc1 2531665 KMSDYLOECBVWFW-JFLMPSFJSA-N 495.919 4.055 50 50 JIGA CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2 20168614 TVOSLXCUSQDNKV-WLRTZDKTSA-N 457.464 4.231 50 50 JIGA N#Cc1c(NC(=O)c2ccc(S(=O)(=O)N(CCCl)CCCl)cc2)sc2c1CCCC2 1429248 LKCBQKLSKRTVFB-UHFFFAOYSA-N 486.446 4.219 50 50 JIGA Cn1cccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1 2326265 HUWLZXMYVKLIPU-ZVHZXABRSA-N 495.406 4.278 50 50 JIGA C[C@@H](C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1)n1nc2ccccc2n1 8768003 WZQIFJKGOKQEJE-MMDHUZEPSA-N 478.350 4.484 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1OC 2544252 XOHJBBQJAFBVJY-STBIYBPSSA-N 497.507 4.165 50 50 JIGA Cc1ccc(OCCOCCOc2ccc(Br)cc2/C=N\NC(=O)c2ccncc2)cc1 32624030 VVRABTICHFKFRA-PKAZHMFMSA-N 498.377 4.391 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(O)cc2O)c1 2542607 MLSNVEHAUFYGQK-WYMPLXKRSA-N 469.291 4.152 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1OC 4330905 PARGOHWVGXUWFU-WJGWSCHNSA-N 482.920 4.494 50 50 JIGA COc1ccc(/C=N/NC(=O)[C@@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)c(C(=O)O)c1OC 9730989 BXJXXEQZPGKTQC-LYZOOTLQSA-N 478.549 4.339 50 50 JIGA COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC 13108653 RPPYDTRCQQWEJF-CVKSISIWSA-N 462.462 4.018 50 50 JIGA COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)c(OC)c1OC 2335916 QNIFGLWNAGVJJA-SSDVNMTOSA-N 490.632 4.099 50 50 JIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C2CCCC3=O)s1 12401686 GJQMJECSQMSCTH-SFHVURJKSA-N 467.576 4.072 50 50 JIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5ccccc5c4)c32)cc1CN1CCOCC1 20351065 AYAJYYYEGZBUQC-RUZDIDTESA-N 493.567 4.289 50 50 JIGA O=C(N/N=C/c1ccncc1)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 20602325 HZYKHPFSSQRAPV-CZRIFFPJSA-N 482.388 4.477 50 50 JIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1 2529692 XRNDMSPSFKRAGS-WKULSOCRSA-N 493.947 4.146 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)C(=O)Nc1cccc2ccccc12 2552901 GAYBVCROXXGKGJ-LQKURTRISA-N 455.445 4.287 50 50 JIGA COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1F 1142186 DQPMYTFANFBKHK-VQTJNVASSA-N 453.495 4.084 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OC)cc2OCC)cc1 2553581 DGVQYLGHJPWREE-WPWMEQJKSA-N 462.502 4.476 50 50 JIGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 4230211 LVQQBCBWHCETKI-DHRITJCHSA-N 455.301 4.335 50 50 JIGA CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4oc5ccccc5c(=O)c43)c3cc(C)cc1c32 1079861 DGQFJOLGWVRTSP-HHHXNRCGSA-N 451.482 4.016 50 50 JIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2543340 XPFNOBXPGMPXPC-CVKSISIWSA-N 494.345 4.320 50 50 JIGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2)cc1 2581507 SJTJNHKYCYNXLI-WGOQTCKBSA-N 459.527 4.419 50 50 JIGA COc1ccc2nc3cc(Cl)ccc3c(NCCN(CCO)C(=O)C(Cl)Cl)c2c1 95535888 ONTODJCOUFNKSZ-UHFFFAOYSA-N 456.757 4.087 50 50 JIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1Cn1nnc2ccccc21 1111644 TVTBFOMJUBQKQO-HSZRJFAPSA-N 475.512 4.096 50 50 JIGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 2519887 BKYRYNXKLSZAFX-DHRITJCHSA-N 455.301 4.335 50 50 JIGA O=C(CCC(=O)Nc1ccc(I)cc1)N/N=C/c1ccc(Cl)cc1Cl 2895205 GTGWQLARRACKMW-UFFVCSGVSA-N 490.128 4.467 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1 4260988 UMYRVMABHDVACR-VULFUBBASA-N 451.910 4.325 50 50 JIGA COc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 4283461 IMSFUPFGGCOCLW-AFUMVMLFSA-N 483.318 4.206 50 50 JIGA COc1ccc(-c2cc(C(=O)N/N=C/c3cc(Br)cc(Br)c3O)[nH]n2)cc1 5313827 LJPFYEPUSIHFTR-ZVBGSRNCSA-N 494.143 4.080 50 50 JIGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1cccc(NC(=O)C(C)(C)C)c1 8399685 HEFRDYRJHXMBFJ-ZTBJCTOSSA-N 473.209 4.408 50 50 JIGA COc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2ccccc2C(F)(F)F)=C1C#N 9374428 VBZSVLSOJCOTRA-CQSZACIVSA-N 461.465 4.425 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H](O)c1ccccc1 4355429 NHUXPDRUHRQXSG-NFCNUSAFSA-N 467.319 4.160 50 50 JIGA COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1O 730045 CMSVCBWTBHEAKN-CVKSISIWSA-N 473.558 4.199 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2)cc1 2544034 ARWVWUNSTGKFDW-AFUMVMLFSA-N 483.318 4.206 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1 4259297 AIHUYKLAKRCMLO-YDZHTSKRSA-N 468.263 4.340 50 50 JIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)c(OC)c1OC 5403120 FIVLSMWZKUWUGF-MZJWZYIUSA-N 456.502 4.118 50 50 JIGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1cc(Br)cc(Br)c1O 12380325 DUFAUOMHAPCLPW-OSALFXOTSA-N 476.552 4.488 50 50 JIGA Cc1nnc(SCC(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)n1-c1ccccc1 1209017 QCTJTIKKTFHGQK-FOKLQQMPSA-N 469.368 4.062 50 50 JIGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1Cl 2509166 BXEYIZMWXNDBKN-ZMOGYAJESA-N 453.838 4.240 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)cc2)cc1 2553464 CMOUOYRYJLZHRT-WPWMEQJKSA-N 459.502 4.092 50 50 JIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 4372661 XNLQWCMCIUPSFA-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA COc1cccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)c1OC 1143341 WYHBYKLHCXTFHG-INIZCTEOSA-N 471.966 4.376 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1 2531911 MRAKPRICAHJXBF-JFLMPSFJSA-N 495.919 4.055 50 50 JIGA CCOc1ccccc1/C=N\NC(=O)CCCCCC(=O)N/N=C/c1ccccc1OCC 33719365 UTMIFVHBPSKKHQ-SZNZDIFOSA-N 452.555 4.035 50 50 JIGA CC(C)(C)C(=O)NC(=CN1CCOCC1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 2040582416 SQIZSVLJOFFGRN-UHFFFAOYSA-O 473.577 4.274 50 50 JIGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)cc([N+](=O)[O-])c1OC(=O)c1cccs1 8854877 COBLNTNANJYMQD-KRWDZBQOSA-N 495.517 4.339 50 50 JIGA O=C(CC[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 59824314 RMOYQRYPDAGFAZ-HSZRJFAPSA-N 492.484 4.319 50 50 JIGA O=C(O)CCSSCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 1875388765 PMDIYWVWPBVEHT-UHFFFAOYSA-N 460.408 4.254 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1 2584696 SBSQFIPVBWKGEM-DHRITJCHSA-N 483.864 4.005 50 50 JIGA CO[C@]1(c2cc(OP(=O)(O)O)ccc2Cl)OO[C@@]12[C@H]1C[C@H]3C[C@@H]2C[C@](Cl)(C3)C1 257355156 NOXRGRGCSIAHSL-JRBQSBQVSA-N 451.239 4.129 50 50 JIGA O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 15018428 JCKFRUDMRXMJCQ-RYYMTUCZSA-N 490.903 4.431 50 50 JIGA CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4oc5ccccc5c(=O)c43)c3c(C)c(C)cc1c32 1070465 CFWJMOMMYJKMNZ-MUUNZHRXSA-N 465.509 4.324 50 50 JIGA COc1ccc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)o2)c([N+](=O)[O-])c1 1219805 JFSARBYBLJGFTH-SSDVNMTOSA-N 474.267 4.398 50 50 JIGA CN1C(=O)/C(=N\NC(=O)COc2c(Cl)cc(Cl)cc2Cl)c2cc(Br)ccc21 1228082 KORAMMUZGKLHLO-HAHDFKILSA-N 491.556 4.285 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1 2544092 ZWKWUPJEEHXLLL-JFLMPSFJSA-N 495.919 4.055 50 50 JIGA CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C(C)/C=C/c2ccccc2)cc1 4259728 PQENEZSSUGKIAE-LGBQYWHVSA-N 470.529 4.482 50 50 JIGA CCC(=NNC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccccc1 245253714 LEKGGUFJYJNHIS-UHFFFAOYSA-N 458.385 4.267 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)o3)n2-c2ccc(C)cc2)cc1 1244935 JIHGEEYZJRWJOS-AFUMVMLFSA-N 461.547 4.395 50 50 JIGA CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 2869209 DIEHKEGWHSKJJZ-UHFFFAOYSA-N 452.338 4.208 50 50 JIGA aggregator COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 1474964 WPPTVTUNHZSFLD-WGOQTCKBSA-N 457.559 4.494 50 50 JIGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)/C=C/c1ccccc1 2543157 ZPCVEDZZJXCPHU-YVWVFZLZSA-N 489.484 4.140 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 2543745 MFZZRVGXYJGLPC-STBIYBPSSA-N 481.508 4.465 50 50 JIGA Cc1ccc(-c2cc(C(=O)NNC(=O)NCc3ccc(CN4C[C@@H](C)C[C@@H](C)C4)cc3)n[nH]2)cc1 916420654 RYQZTWOGFUEVRO-BGYRXZFFSA-N 474.609 4.007 50 50 JIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3cccc(F)c3)ccc2[C@@H]1c1ccc(F)c(F)c1 1857799440 CMVOLPMRSBRYFE-NRFANRHFSA-N 458.417 4.090 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 2518722 KUCUKNCXGGIKNF-DHRITJCHSA-N 456.285 4.301 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OC(=O)c1ccccc1 2529624 VWYPIWRQLDFZCA-JFLMPSFJSA-N 479.920 4.355 50 50 JIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[C@@H]1c1ccc(F)c(F)c1 1775977041 VTBSZUMIIJRRCZ-NRFANRHFSA-N 458.417 4.090 50 50 JIGA COc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1 2544135 FGXRFUTWFMCPNQ-STBIYBPSSA-N 497.507 4.165 50 50 JIGA C[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 20311400 UPDYBRNDNUUTKA-OTWRLEFPSA-N 464.366 4.418 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OC(=O)/C=C/c1ccccc1 2531383 CJLIEPHSUVIHFV-ATOXWBSZSA-N 477.904 4.056 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2529631 OJHQQQRCAFRWCT-UVHMKAGCSA-N 456.329 4.453 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2518715 FWFVNMXXFDZEGJ-FOKLQQMPSA-N 462.314 4.363 50 50 JIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1C 2532043 PDTSQVRWCOMBNG-VULFUBBASA-N 494.345 4.374 50 50 JIGA CCN(CC)c1ccc(/C=N/NC(=O)c2nonc2N)c(OCc2ccc(Cl)cc2Cl)c1 727064 RMQDJJUKDFLVMA-OPEKNORGSA-N 477.352 4.148 50 50 JIGA COc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCc1ccccc1 4209794 AWNROXNDAJJBDQ-RWPZCVJISA-N 488.569 4.175 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(C)cc2)sc2c1CC[C@H](C)C2 20367400 RAWSCCYRFAWRID-AWEZNQCLSA-N 477.677 4.219 50 50 JIGA CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cc(C)cc1c32 1460202 OIVDPJSRJIDZMR-MHZLTWQESA-N 451.482 4.016 50 50 JIGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccccc32)c([N+](=O)[O-])c1 2051880 QJOMYYBDDLMYNO-UHFFFAOYSA-N 452.511 4.160 50 50 JIGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccco2)nn3-c2ccccc2)cc(OC)c1O 2789980 BYAXZBMVZGFLDC-FQEVSTJZSA-N 456.458 4.073 50 50 JIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 4282629 CPRDSFHUMIIJAF-RDRPBHBLSA-N 459.546 4.325 50 50 JIGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 2531166 KLVAGGZUIICRCL-XODNFHPESA-N 486.355 4.461 50 50 JIGA CC1=C(C#N)[C@H](c2ccc(C#N)cc2S(C)(=O)=O)N(C)C(=O)N1c1cccc(C(F)(F)F)c1 145875244 YAJWYFPMASPAMM-FQEVSTJZSA-N 474.464 4.391 50 50 JIGA CCCCOc1ccc(C=NNC(=O)[C@H](C)n2cnc3sc4c(c3c2=O)CCCC4)cc1OC 252427583 HOEIKRVEZIPZPX-INIZCTEOSA-N 482.606 4.236 50 50 JIGA CCOC(=O)c1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 2855636 CSIZVQFFXMFTNL-QGZVFWFLSA-N 463.559 4.315 50 50 JIGA O=C(COc1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2552980 FMSGTOJJDYAIBT-DHRITJCHSA-N 471.282 4.337 50 50 JIGA COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCCN1CCOCC1 20228606 HMOQSVLXIOROFF-OQKWZONESA-N 457.530 4.105 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc(F)cc2)ccc1OC(=O)c1ccccc1Cl 2391509 ZTAFYJWGDNJPPQ-LGJNPRDNSA-N 456.857 4.236 50 50 JIGA C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nnc1-c1ccc(Br)cc1 2522034 YTUFQRXWRUUAFQ-FOKLQQMPSA-N 486.395 4.232 50 50 JIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4209330 YDYRESUNYVUFSX-AYUGKMPWSA-N 459.458 4.131 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3OC)cc2)cc1 4230129 VKMLJLDXVQBQHE-WPWMEQJKSA-N 462.502 4.232 50 50 JIGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 2532108 ZPQDLAVHVGDNHI-OKCVXOCRSA-N 469.472 4.078 50 50 JIGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 1833840 KFGFSYMFMZYTIG-SSDVNMTOSA-N 472.617 4.168 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1 2597734 IIWXCERHDSXHDY-AFUMVMLFSA-N 482.334 4.126 50 50 JIGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 12380731 PFNROUULQJXKFE-HNNXBMFYSA-N 466.519 4.056 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)sc2c1CCCC2 25584225 AELBUXAPEHZBDD-AUEPDCJTSA-N 468.362 4.199 50 50 JIGA CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4oc5ccccc5c(=O)c43)c3cc(C)cc1c32 1079859 DGQFJOLGWVRTSP-MHZLTWQESA-N 451.482 4.016 50 50 JIGA CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 2235689 BYEKMFWEWUSPOQ-WQIZZMQYSA-N 462.557 4.494 50 50 JIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 2529639 ZQHGWQMSSLDBAN-XODNFHPESA-N 486.355 4.461 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OCC)cc1 2531804 GWRMPUJBFAOQRR-WGOQTCKBSA-N 477.473 4.375 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](O)c3ccccc3)cc2OCC)cc1 4296097 NIOKWIKIUGDXIO-QMFOPCRCSA-N 476.529 4.277 50 50 JIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C2CCCC3=O)s1 12401685 GJQMJECSQMSCTH-GOSISDBHSA-N 467.576 4.072 50 50 JIGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1 4260673 CVFRSXYNCGSJAE-OGLMXYFKSA-N 450.498 4.489 50 50 JIGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2cccc(Br)c2)c1 8454621 PSPWVQBKYAODGE-OAQYLSRUSA-N 485.334 4.291 50 50 JIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)n2-c2ccc(C)cc2)cc1 1474677 VEUFLPSLSVRDLA-UHFFFAOYSA-N 482.569 4.116 50 50 JIGA Cc1cc(OCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)c(C(C)C)cc1Br 5294695 HFGRMEOBEZVSMW-BHGWPJFGSA-N 456.340 4.252 50 50 JIGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2542659 UYEDPWRWEZLDOT-RWPZCVJISA-N 465.937 4.198 50 50 JIGA COc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c1 2543018 RRFKMTRWIOKNEI-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 19833543 CBIHKOQSMFMPGC-CVKSISIWSA-N 455.474 4.285 50 50 JIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 4282519 JHADFPIOVTXECL-RDRPBHBLSA-N 459.546 4.325 50 50 JIGA Cc1cc(OCc2ccc(C(=O)N/N=C/c3ccccc3OCC(=O)N(C)C)cc2)ccc1Cl 1875256103 MRUVAHYUHCRNTD-RWPZCVJISA-N 479.964 4.458 50 50 JIGA O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1n[nH]c2c1CCc1ccccc1-2 5402530 CQPDLOZFYKIEDD-CVKSISIWSA-N 456.377 4.223 50 50 JIGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2O)cc1OC 2531590 CDSXKNMZBHEAAH-DHRITJCHSA-N 499.317 4.155 50 50 JIGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 4259380 DWAGNMDYNXXTJB-WKULSOCRSA-N 487.947 4.081 50 50 JIGA O=C1OC(=O)c2c(Br)c(Br)c(Br)c(Br)c21 8585906 QHWKHLYUUZGSCW-UHFFFAOYSA-N 463.701 4.047 50 50 JIGA in-vitro COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(COc4ccccc4)c3)[nH]n2)cc1 5297730 ZYFFGRWPIYUFNM-JVWAILMASA-N 456.502 4.437 50 50 JIGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1cccc(NC(=O)C2CCC2)c1 8454279 MSUYICCOBYEYGQ-CBVHTYNASA-N 471.193 4.162 50 50 JIGA CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2c(I)cncc2[N+](=O)[O-])C1 169794105 LDAXNEJQOMFZOT-LBPRGKRZSA-N 463.392 4.443 50 50 JIGA in-vitro Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CCC2 1422434 BTOFVLMQGYGXEB-XMMPIXPASA-N 464.447 4.425 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccncc1 2530635 GOFSWHZMUSHHII-WYMPLXKRSA-N 458.699 4.481 50 50 JIGA CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1OC 8809597 ILLJUBDFURODIY-QFIPXVFZSA-N 490.585 4.250 50 50 JIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(COc2ccccc2Br)o1 2770010 AVYXKQVRLBKYMW-IBGZPJMESA-N 459.296 4.266 50 50 JIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1Cl 4258616 FKUIODOZLUOXDQ-ZUUNFTTNSA-N 461.905 4.356 50 50 JIGA COc1ccc(/C=N/NC(=O)[C@@]2(C)CC[C@H](c3nc4ccccc4[nH]3)C2(C)C)c(C(=O)O)c1OC 9730993 BXJXXEQZPGKTQC-XSLYZBAASA-N 478.549 4.339 50 50 JIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(F)c(C)c4)ccc32)cc1OC 1857800993 YKAUPGLMQRUFAN-XMMPIXPASA-N 496.516 4.137 50 50 JIGA CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccc4)c(=O)c32)c1OCC 1472154 KRWOWHIMPJFGLO-QHCPKHFHSA-N 457.530 4.221 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(C)cc3)cc2)cc1 4296085 UZPJEXISKWSQJX-UXHLAJHPSA-N 487.556 4.273 50 50 JIGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(F)c(C)c4)ccc32)cc1OC 1857800992 YKAUPGLMQRUFAN-DEOSSOPVSA-N 496.516 4.137 50 50 JIGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 43190500 YLNYKRDFCYXGJR-AFUMVMLFSA-N 482.334 4.126 50 50 JIGA COc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 334160743 LJPIHATVVOHKMA-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)c1O 2349667 JAUSDWBCEJTKJO-UFFVCSGVSA-N 460.606 4.095 50 50 JIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 5297112 LSTOZJAMWGWQSM-LQKURTRISA-N 486.528 4.445 50 50 JIGA Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C1\C(=O)Nc2c(C)cc(Br)cc21 1234182 FCYQPQZGIPDWRB-UHFFFAOYSA-N 458.356 4.215 50 50 JIGA O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N/N=C/c1ccc(Br)s1 1477789 GVCFWPRQLKUFND-FSJBWODESA-N 499.415 4.452 50 50 JIGA Cc1cc(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br 2950099 KRXMXFGSCUQUIX-LLVKDONJSA-N 476.154 4.058 50 50 JIGA Cc1ccc(-c2ccc(/C=N/NC(=O)CSc3nnnn3-c3ccccc3)o2)cc1Cl 1060548 RMHUWJJCJJXQSS-FSJBWODESA-N 452.927 4.127 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2)cc1 2542797 UQINPDHDCZYCNX-CVKSISIWSA-N 465.893 4.047 50 50 JIGA O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 4259358 GHBVOMZALZLXGV-LZVSKFQISA-N 491.345 4.455 50 50 JIGA O=C(N[C@H](C(=O)NN=Cc1ccc(Cl)cc1Cl)c1nnc(O)c2ccccc12)c1ccccc1 252679109 HXTQGFHDPALTHP-NRFANRHFSA-N 494.338 4.264 50 50 JIGA O=C(O)/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 103641761 XQLFAVGSYSYJNF-YYADALCUSA-O 452.470 4.337 50 50 JIGA Cc1nc2ccccc2cc1C(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21 1234283 VDMXUMFWIHJPLB-UHFFFAOYSA-N 488.139 4.154 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2543713 WDNYLYRGKQUWKG-JFLMPSFJSA-N 479.920 4.355 50 50 JIGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1 2506342 XHZDLHIRNRQTQR-ZMOGYAJESA-N 453.838 4.240 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2)cc1 3084068 ISXDHERHIFFQBU-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 4258826 PEGVAQVFMCWOHW-LGJNPRDNSA-N 498.308 4.205 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]21C 257345433 CBGUOGMQLZIXBE-KMGLYGGSSA-N 466.977 4.103 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Br)c1O 1227861 FFBVLUVHKIFBAP-ZUOKHONESA-N 467.319 4.372 50 50 JIGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209310 ZWOBNCFDLNZJKE-CAUYNWHBSA-N 467.865 4.385 50 50 JIGA COc1cc(C(=O)NCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O 144759401 BPTRKVHQQGFTPI-UHFFFAOYSA-O 456.502 4.125 50 50 JIGA CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@H]3CC[C@H]4CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 253498869 AEDZUDVIFQHWGD-NKOYJJJMSA-N 483.443 4.081 50 50 JIGA biogenic CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 1876083 ROKVOYRPRIUAGR-NRFANRHFSA-N 459.462 4.444 50 50 JIGA Cc1ccc(O[C@@H](C)C(=O)NNC(=S)Nc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 1118103 DZVNTKZVUVWLRW-JTQLQIEISA-N 487.763 4.104 50 50 JIGA CCc1cc(C(=O)Nc2cccc(/C(C)=N\NC(=O)COc3ccc4c(c3)OCO4)c2)cs1 20572709 UOSWBNXDEUMEDU-YSMPRRRNSA-N 465.531 4.211 50 50 JIGA CC/C(Cc1ccccc1)=N/NC(=O)CCC(=O)Nc1ccc(I)cc1 12384034 UNCVKDBYFGAKKD-QJOMJCCJSA-N 463.319 4.135 50 50 JIGA CCn1c(SCC(=O)N/N=C(\C)c2cccc(Br)c2)nnc1-c1ccccc1 863992 ATIUJPFPXLALHO-HYARGMPZSA-N 458.385 4.360 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccc(OC)cc2)cc1 1237587 FHRLHVALKFIEAG-JFLMPSFJSA-N 491.548 4.333 50 50 JIGA Cc1ccc(NC(=S)NNC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@H]3C(F)F)c(C)c1 2793885 AHBFWOOPNFHTJD-MOPGFXCFSA-N 470.549 4.494 50 50 JIGA CC(=NNC(=O)[C@H](C)Sc1nnc(CNc2cccc(Cl)c2)n1C)c1ccc(C)cc1 245238945 CSVYUXLZCVXESV-INIZCTEOSA-N 457.003 4.410 50 50 JIGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 4259610 MVABVGAETVYQJH-WPWMEQJKSA-N 453.502 4.027 50 50 JIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4282061 SHIALOPEOKYCKN-JFLMPSFJSA-N 477.952 4.040 50 50 JIGA CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1 9331315 ZGGQNSGYMAMCAE-UXHICEINSA-N 456.951 4.410 50 50 JIGA CC(CCc1ccccc1)=NNC(=O)CCC(=O)Nc1ccc(I)cc1C 245239386 IIBPLDXZAVJYMS-UHFFFAOYSA-N 477.346 4.443 50 50 JIGA O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1ccccc1O 2338512 IZNCLOOGMFUCLO-AWQFTUOYSA-N 450.998 4.432 50 50 JIGA CCn1c(SCC(=O)N/N=C/c2cc(Br)ccc2F)nnc1-c1ccc(OC)cc1 2351366 GOSXMZWHHOTGIC-FOKLQQMPSA-N 492.374 4.118 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1 2544433 WASQASZEZARJEA-KBVAKVRCSA-N 495.535 4.256 50 50 JIGA O=C(N/N=C/c1ccc(Br)cc1)c1cc(Br)cc(Br)c1O 2821132 ASQQPAZYMPSHPN-CNHKJKLMSA-N 476.950 4.444 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Br)o3)cc2OC)cc1 4259311 PHZLKKVZTUJJHJ-FSJBWODESA-N 473.279 4.042 50 50 JIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1 4283090 XPLSSXDMCWJDHK-CWZAUNAWSA-N 499.567 4.364 50 50 JIGA Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)cc1 1775975472 BIUNOCSSJRSPJW-QFIPXVFZSA-N 454.454 4.259 50 50 JIGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCC(=O)NC2CC2)N1 4167558 ACQHOPKRKSOZJA-OAQYLSRUSA-N 450.589 4.095 50 50 JIGA C[C@H](NC(=S)NNC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F)c1ccccc1 229878252 QKLSAZBNSSTYKT-KYNGSXCRSA-N 470.549 4.116 50 50 JIGA COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(I)c1O 627136 AGFCGBBWIFNLGJ-KRWDZBQOSA-N 464.303 4.133 50 50 JIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2597742 CCGKDVZNWOVCBW-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl 8424449 ZEPJORRTQFJVTC-KOEQRZSOSA-N 471.966 4.084 50 50 JIGA COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc5ncccc5c4)ccc32)cc1 1775976817 QJCLLERUSABDQT-RUZDIDTESA-N 477.476 4.459 50 50 JIGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)c1O 16975793 LYBLCOBGMJVGOC-JFLMPSFJSA-N 456.502 4.442 50 50 JIGA COc1c(Br)cc(/C=N/NC(=O)COc2ccc(C)cc2)cc1Br 3136455 HCXHJNNIEHEPAI-AWQFTUOYSA-N 456.134 4.058 50 50 JIGA COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OC(=O)c1ccccc1 625534 LLQGGEZGMPHVOG-QFIPXVFZSA-N 466.449 4.239 50 50 JIGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1Cn1cc([N+](=O)[O-])cn1 689141 GNOYWNPXCOXMSO-VWLOTQADSA-N 496.527 4.153 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(OCc2ccccc2)c1 2532048 IRSBEPJTSWTKOU-UVHMKAGCSA-N 456.329 4.453 50 50 JIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc(OC)c1OC 2950089 KGFMVHQHLCYPOV-VULFUBBASA-N 468.893 4.349 50 50 JIGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 4372879 DLCFOBHXPKCUQM-CAUYNWHBSA-N 467.865 4.385 50 50 JIGA Cc1cc(=O)oc2cc(NC(=S)NNC(=O)[C@H](C)Sc3nc4ccccc4s3)ccc12 2857415 YLYCACLPTRLSTB-LBPRGKRZSA-N 470.601 4.210 50 50 JIGA O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12 1207902 WTWMVNOFKKEUIQ-JFLMPSFJSA-N 453.531 4.053 50 50 JIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 2521836 ARDPUCUWHBZPGE-LSHDLFTRSA-N 471.138 4.410 50 50 JIGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc(OC)c1O 13239173 FIIKCHNVKMPXJG-MZJWZYIUSA-N 490.585 4.358 50 50 JIGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 1259127 ORFIIENQPQCECH-CVKSISIWSA-N 458.543 4.114 50 50 JIGA C/C(=N\NC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)c2ccccc2F)cc1 672788 JDPDYEUXTXJCII-BRJLIKDPSA-N 472.318 4.036 50 50 JIGA CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c2C)sc2c1CCCC2 1091297 JWFUCIAGEXVVCT-ACSPXDACSA-N 481.618 4.413 50 50 JIGA Cc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F 2793868 QDNJCGDPNGFFNN-ROUUACIJSA-N 456.522 4.186 50 50 JIGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 4282348 LAARTJBYFZWDPS-AFUMVMLFSA-N 466.335 4.425 50 50 JIGA C/C(=N\NC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)c2ccc(C)s2)cc1 8453696 XFECPRAVYQFQHI-FSJBWODESA-N 474.384 4.267 50 50 JIGA Cc1ccc2c(c1Br)[C@@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 756258 YGXGHEZCMMDKMQ-BSEYFRJRSA-N 476.330 4.072 50 50 JIGA CCc1ccc2c(Cl)c(C(=O)NNC(=S)NCCc3ccc(OC)c(OC)c3)sc2c1 13324080 ZQEBGEDLXVOAEM-UHFFFAOYSA-N 478.039 4.486 50 50 JIGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4230154 SDZPLYILVOKCTE-DHRITJCHSA-N 455.301 4.335 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 257355366 AJWNGOKNEBVXJK-DHENXJIGSA-N 471.009 4.407 50 50 JIGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 1875289824 RZKPIDIJARDAEM-DHRITJCHSA-N 472.482 4.300 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1O 2532161 JNKPGSODYXGQPG-ZMOGYAJESA-N 453.292 4.446 50 50 JIGA COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)Cc3ccc(Cl)cc3)cc2OC)o1 20228656 DZLFNLOHOPJHMO-DHRITJCHSA-N 456.882 4.000 50 50 JIGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 2530133 WPKQWNRFMRVYPC-RDRPBHBLSA-N 497.555 4.426 50 50 JIGA COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)c1 9329493 VGLQBWZHYYKQAT-KRWDZBQOSA-N 472.364 4.168 50 50 JIGA O=C(N/N=C/c1coc2ccccc2c1=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 2521897 RATQAPYLSHKCQX-DHRITJCHSA-N 481.917 4.011 50 50 JIGA CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(OC)cc1 2531144 MIRDSNGTLMQUKU-JVWAILMASA-N 478.501 4.094 50 50 JIGA COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl 2542769 PGCKMCCWEMXMPE-IXORVSQSSA-N 497.891 4.394 50 50 JIGA O=C(NNC(=S)NCc1ccco1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 2793651 CYJIVYMUOQWIED-GDBMZVCRSA-N 498.918 4.099 50 50 JIGA Cc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 2903644 ADBOUDVMAALYQS-BUVRLJJBSA-N 486.391 4.103 50 50 JIGA CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1cccnc1 1843820 SQXYWOYSDBYNHN-QHCPKHFHSA-N 495.564 4.432 50 50 JIGA aggregator CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3)cc2OCC)cc1 4292901 BLBZAMSILJVSAX-WPWMEQJKSA-N 462.502 4.232 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(OC)c3)n2-c2ccccc2)cc1 1474897 QXDSHASZABYQBS-WGOQTCKBSA-N 473.558 4.194 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccncc1 2569204 VIGIEAZGMKYLHX-WYMPLXKRSA-N 458.699 4.481 50 50 JIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 4209976 FSZRANKYWRUUMI-RWPZCVJISA-N 457.921 4.073 50 50 JIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc(OCc3ccccc3)ccc2Br)c1 4229814 LFOPKMSOSRYDRV-MZJWZYIUSA-N 480.362 4.217 50 50 JIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1coc2ccccc2c1=O 1208428 QORCBNZQJHKPMU-JFLMPSFJSA-N 481.537 4.283 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 2531401 VCJMFASEGRBLPO-WGOQTCKBSA-N 477.473 4.375 50 50 JIGA CCOC(=O)COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc2ccccc2c1 2850586 CPFYYPFQCYGDEH-AREMUKBSSA-N 480.524 4.494 50 50 JIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3cnc4ccccc4n3)C3=C2CCCC3=O)s1 12401700 ICWLRUCRRCIBGI-LJQANCHMSA-N 475.603 4.287 50 50 JIGA C/C(=N\NC(=O)CN1CCOCC1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 227013923 HDUNHSUFFHKRHY-WLJZMOFXSA-N 464.997 4.339 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 2543086 WEZRKNKPHNQSJV-CVKSISIWSA-N 465.893 4.047 50 50 JIGA O=C(Cc1ccc(Cl)cc1)NNC(=S)NC(=O)c1cc(-c2ccccc2)nc2ccccc12 2111222 IBIRZZLXGFHNAZ-UHFFFAOYSA-N 474.973 4.433 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 2518692 UCIVCKKJSQZDHD-DHRITJCHSA-N 456.285 4.301 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1O)/C(=C\c1cccs1)NC(=O)c1ccccc1 2819903 MNZXQTFOIATSEY-SKLSXVDLSA-N 470.348 4.137 50 50 JIGA Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N/N=C/C=C/c3ccccc3)CC2)c(C)c1C 20293896 RLTDACOLZYVYJS-BQZGYUKESA-N 467.635 4.445 50 50 JIGA Cc1cc2nc(C(Cl)Cl)nc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)n2n1 1857800533 CHJPVIOADCEPGB-UHFFFAOYSA-N 454.383 4.141 50 50 JIGA Cc1c(Br)sc(Br)c1C(=O)NCCSSCCC(=O)O 1875389020 YRRLQNJRLVKUPP-UHFFFAOYSA-N 463.238 4.167 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1 2569212 LRMUJKFLEROVFG-DHRITJCHSA-N 483.864 4.005 50 50 JIGA O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 4283018 SCAXWCXQPRIYGV-DHRITJCHSA-N 499.752 4.444 50 50 JIGA N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1nn(CCO)c(N)c1C#N 12376524 FEDISYDPCFXLTN-LZYBPNLTSA-N 454.317 4.279 50 50 JIGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)COc1cc(C(C)C)ccc1C)C(=O)N2C 1234118 OQPAICROWLYDSV-QQTULTPQSA-N 458.356 4.065 50 50 JIGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1 4303251 RUEMLUHPNXHVPZ-AFUMVMLFSA-N 482.334 4.126 50 50 JIGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 12380732 PFNROUULQJXKFE-OAHLLOKOSA-N 466.519 4.056 50 50 JIGA CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(C(Br)Br)[C@H]2Br 100097811 OPEYARDNCSVPII-ZVCUKBJDSA-N 467.821 4.389 50 50 JIGA COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 731347 BPQWHHSUIBNCFT-QMPKWXHSSA-N 473.312 4.405 50 50 JIGA O=C(NNc1nnc(-c2ccccc2)n1-c1ccccc1)[C@@H]1CCCN1c1ncnc2sccc12 728602125 JBZLXLSFHPSVBE-FQEVSTJZSA-N 482.573 4.051 50 50 JIGA COc1cc([C@H]2C(C#N)=C(SCC(=O)NC3CCCCC3)NC3=C2C(=O)CCC3)ccc1O 1144565 IXSRNCUMZJRXET-QHCPKHFHSA-N 467.591 4.012 50 50 JIGA COC(=O)COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 1142333 LNPKSAPBBDIYBS-JOCHJYFZSA-N 495.329 4.381 50 50 JIGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 4282121 ZGXYFMUKQRVXET-CVKSISIWSA-N 464.909 4.080 50 50 JIGA O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)COc1ccc(Cl)cc1Br 2856870 GKQWOCNJZRMDQY-UHFFFAOYSA-N 489.753 4.375 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1 4259292 JDYCEBSIYLSKTL-WBILBPDKSA-N 452.894 4.485 50 50 JIGA CC(=O)Oc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 8757588 HJLVBPRRLAADHE-HYARGMPZSA-N 472.617 4.388 50 50 JIGA O=C(NNC(=S)NC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 25584722 OVVFFJKQRJVXOM-UHFFFAOYSA-N 475.829 4.049 50 50 JIGA O=C(Cn1c2c(c3ccccc31)CCCC2)NNC(=S)Nc1cnn(Cc2ccccc2Cl)c1 2802635 CRIHHHBGGBWANX-UHFFFAOYSA-N 493.036 4.436 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(O)cc2)c1 2531942 VALXJRQWGYFYTD-ZMOGYAJESA-N 453.292 4.446 50 50 JIGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 2532001 IQPCVZILZXHRAX-KBVAKVRCSA-N 499.546 4.347 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(O)cc3O)cc2OCC)cc1 2542601 LYSZJZSCZVJWPF-JVWAILMASA-N 478.501 4.268 50 50 JIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 2543310 GXPPVVKREAABIU-CVKSISIWSA-N 494.345 4.320 50 50 JIGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 2544271 GIGNYJVQZIOABM-OGLMXYFKSA-N 451.482 4.456 50 50 JIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2cccc(Br)c2)o1 649248 IVBDTBUACHHTDR-LJQANCHMSA-N 459.296 4.266 50 50 JIGA N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Br)cc1 690834 FEVPCTUPMIVSQI-IIBYNOLFSA-N 487.361 4.266 50 50 JIGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1Cn1nnc2ccccc21 1111645 TVTBFOMJUBQKQO-QHCPKHFHSA-N 475.512 4.096 50 50 JIGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(C(F)(F)F)cc3)C3=C2CCS3(=O)=O)cc1 12420857 INTZUJHZWCOGMH-LJQANCHMSA-N 461.465 4.042 50 50 JIGA O=C(COc1ccccc1Br)N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O 20508176 HVMYDOIOPBTNQS-QPJQQBGISA-N 470.106 4.391 50 50 JIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2529738 IXJMUXHUPWYAPF-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3Br)cc2)cc1 4231859 JXMFPRKHAUHYKU-OEAKJJBVSA-N 472.364 4.322 50 50 JIGA CCNC(=S)/C=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 25578542 TZMKBESBYLOTAC-CVKSISIWSA-N 480.663 4.363 50 50 JIGA Cc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F 2793867 QDNJCGDPNGFFNN-QZTJIDSGSA-N 456.522 4.186 50 50 JIGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 4260845 VSCKNTAYAWBBLT-OVVQPSECSA-N 458.518 4.207 50 50 JIGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 4302452 DKWSVHWNOWBKCX-RWPZCVJISA-N 472.570 4.475 50 50 JIGA Cc1ccc2c(c1Br)[C@]1(C(=O)N2)C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 756259 YGXGHEZCMMDKMQ-LFPIHBKWSA-N 476.330 4.072 50 50 JIGA CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)N4C(=C3C#N)Nc3ccccc34)c3c(C)c(C)cc1c32 2241553 ZIQCQDXTPNTEHC-MUUNZHRXSA-N 460.541 4.458 50 50 JIGA CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1 2584776 GOGHZCBLSXWVAX-JVWAILMASA-N 462.502 4.015 50 50 JIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 25504594 DHNIHOLPZRVKMT-RWPZCVJISA-N 457.921 4.073 50 50 JIGA CCN(CC)Cc1ccc(C(=O)NNC(=O)Nc2ccc(Nc3cccc(SC)c3)cn2)o1 1875327606 BLSKEWYUTXUCLW-UHFFFAOYSA-N 468.583 4.448 50 50 JIGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c1 2553254 HBOKLNLRXWZCRP-OGLMXYFKSA-N 467.481 4.156 50 50 JIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 4292453 YTXLWZINEGMMEH-JFLMPSFJSA-N 479.920 4.219 50 50 JIGA COc1cccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)c1OC 9331329 STGAXICMKKFHBC-AWEZNQCLSA-N 457.939 4.068 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 2532058 BCNPEUFHJSIAGP-KVSWJAHQSA-N 488.302 4.232 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1 2544534 ONFORIGPECVYIS-DHRITJCHSA-N 456.285 4.301 50 50 JIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 4360149 WZIKNWWTRXWEJM-PVLQNKMRSA-N 467.865 4.385 50 50 JIGA C/C(=N\NC(=O)c1cccc(COc2ccccc2Br)c1)c1ccc(-n2cnnn2)cc1 25783205 KKYXMWDGYXJUMB-WGOQTCKBSA-N 491.349 4.158 50 50 JIGA CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 1876084 ROKVOYRPRIUAGR-OAQYLSRUSA-N 459.462 4.444 50 50 JIGA CCOc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1 2530468 GQCJGOXYZYGYJY-JVWAILMASA-N 478.501 4.094 50 50 JIGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 2530552 QUUNCIDNNPPLEJ-GNYKCMPYSA-N 477.473 4.130 50 50 JIGA CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C(F)(F)F)cc3)[C@H]2C1 8411597 KKJDAOCBMTWJPY-RBUKOAKNSA-N 469.467 4.366 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)cc2)c1 2518737 UHSWLVCOEBPSRO-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA O=C(N/N=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)c1ccc(Br)s1 2763836 OJUJXDVERCCEIX-DJKKODMXSA-N 450.270 4.355 50 50 JIGA C/C(=N/NC(=O)C1c2ccccc2Oc2ccccc21)c1cccc(NC(=O)c2ccnn2C)c1 1003511 MVKANUZGYNHOAP-LQNQUEJISA-N 465.513 4.450 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1Cl 2509167 XREKDVLMEMEGMV-ZMOGYAJESA-N 453.838 4.240 50 50 JIGA C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1O 4282138 RYQONSSYISOMAJ-JFLMPSFJSA-N 476.920 4.115 50 50 JIGA CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 100347425 LYUXBTAUKJETMS-QGZVFWFLSA-N 467.519 4.089 50 50 JIGA in-vitro O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1 4230003 PIUIUQVCKYYWFT-DHRITJCHSA-N 456.285 4.301 50 50 JIGA O=C(CSCc1ccc(Cl)cc1Cl)NNC(=S)Nc1ccc2c(c1)OCCO2 20494156 SLRLZRVOTGRGDK-UHFFFAOYSA-N 458.392 4.016 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(O)cc2O)cc1 2543694 GSEFQIOVSIFFHE-JFLMPSFJSA-N 456.454 4.243 50 50 JIGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 4282867 XISWYUWBBXEMMD-JVWAILMASA-N 469.453 4.496 50 50 JIGA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NNC(=O)c5nnc(O)c6ccccc56)(C4)C2)C3)cc1C 934949357 ZAOSQIXHMSQHAU-YEQUHKRTSA-N 470.573 4.251 50 50 JIGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 4209311 ZWOBNCFDLNZJKE-PVLQNKMRSA-N 467.865 4.385 50 50 JIGA COc1c(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cccc1[N+](=O)[O-] 2173075 HLHLFMNICLBQJG-ZIAGYGMSSA-N 458.106 4.442 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 2544302 JHZOUFCNZPMFQG-CVKSISIWSA-N 451.910 4.407 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(C)c3)cc2OC)cc1 4295662 HCFIIHAIZJOWNG-JVWAILMASA-N 462.502 4.151 50 50 JIGA CC(C)COc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccc2c(c1)OCO2 20468735 AGVKWIGWDLWYSE-CAOOACKPSA-N 457.324 4.436 50 50 JIGA N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 664187 QNJKJOJARFRQLD-MHZLTWQESA-N 481.895 4.366 50 50 JIGA biogenic,in-vitro O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 825726 HCGHWOCKKGRCTC-FYWXSZBBSA-N 460.515 4.133 50 50 JIGA Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)COc1ccccc1-c1ccccc1 2862404 VFNFIZJTBLYGDJ-UHFFFAOYSA-N 483.362 4.338 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)sc2c1CC[C@@H](C)C2 4261266 HRQZTLXBMMDPFX-BUGPSZFBSA-N 481.496 4.157 50 50 JIGA O=C(N/N=C/c1ccncc1)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 20602324 HZYKHPFSSQRAPV-WLKWJXFZSA-N 482.388 4.477 50 50 JIGA CCOc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1 1049621 WWISEVCNWAEQEW-GDLZYMKVSA-N 493.567 4.494 50 50 JIGA CCOc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccc(Br)cc2)cc1 1192292 WMFYSISBEOQOSR-UHFFFAOYSA-N 494.411 4.089 50 50 JIGA O=C(N/N=C/c1cc(Br)c(Br)o1)C(O)(c1ccccc1)c1ccccc1 1204669 UPBXBAGUKZQMAP-WSDLNYQXSA-N 478.140 4.191 50 50 JIGA CCCCOc1ccc(C=NNC(=O)[C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H](C)C4)cc1OC 252427599 QTWBWJFRFBHMRI-DLBZAZTESA-N 496.633 4.482 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 2584817 PZNUFQLWMVFCFR-DHRITJCHSA-N 469.881 4.365 50 50 JIGA COc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2553107 ULPAQLHWRXBEGF-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(I)c1OC 2970444 SOFGLYYZQIVJPC-WFSQQTBHSA-N 462.287 4.093 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3OCC)cc2OC)cc1 2543056 YWTHPLXVOIYBNQ-WPWMEQJKSA-N 462.502 4.476 50 50 JIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1 4347335 MQCGNBOIYQASTQ-CVKSISIWSA-N 494.345 4.320 50 50 JIGA Cc1cc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br 2950101 KRXMXFGSCUQUIX-NSHDSACASA-N 476.154 4.058 50 50 JIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12 2391542 MYJHQDHLMCAFIO-OGLMXYFKSA-N 451.482 4.456 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(=O)c1ccccc1 2530513 HKHZCCJLXAXMGQ-JFLMPSFJSA-N 479.920 4.355 50 50 JIGA Cn1c(SCC(=O)NN=Cc2ccc(Cl)cc2)nnc1-c1cccc(Br)c1 252679629 PJWVJEXPAGLIQC-UHFFFAOYSA-N 464.776 4.140 50 50 JIGA N#C/C(=C\c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1)C(N)=O 409191403 GOJWXZNRYBTQKD-BJMVGYQFSA-N 461.290 4.230 50 50 JIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 2544482 IJRNTPPCNCFIQA-IPPBACCNSA-N 483.927 4.337 50 50 JIGA O=C(NNC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl 2054348583 ZOHWYNNGJDALMR-CYBMUJFWSA-N 481.689 4.491 50 50 JIGA COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1OC 1208652 AKXXAPZLKLANOF-WGOQTCKBSA-N 473.558 4.194 50 50 JIGA O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C1\C(=O)Nc2ccc(Br)cc21 1234260 PLMVLTCWXWJCOT-UHFFFAOYSA-N 477.529 4.261 50 50 JIGA N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12 1421858 NJKYYMHKZYMWJY-HSZRJFAPSA-N 450.420 4.116 50 50 JIGA CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1 2530546 JGFQLFCLHQNEGW-GNYKCMPYSA-N 477.473 4.130 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccccc2)cc1 1474927 CFQOTTXZSZJYJZ-CVKSISIWSA-N 461.522 4.324 50 50 JIGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2507076 CNBXEMXHSHFPIF-ZVHZXABRSA-N 453.292 4.197 50 50 JIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2544494 ZZTVIVHHTAIJNH-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA CC(C)CNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 2793659 RZJZZZHBYBUKLC-WMZOPIPTSA-N 482.576 4.432 50 50 JIGA CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCCN1CCOCC1 20175921 FIVRQCKJEUGGRJ-XMHGGMMESA-N 485.968 4.004 50 50 JIGA Cc1cc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)ccc1F 1857799510 HJINCBAMVCZDPH-QFIPXVFZSA-N 472.444 4.398 50 50 JIGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 2532004 PNOBOBHRXYVDHL-OKCVXOCRSA-N 469.472 4.078 50 50 JIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 2553457 HQPHPOMZQWNGAK-YSURURNPSA-N 485.165 4.201 50 50 JIGA Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2cccc(Cl)c2)cc1 2918387 LYUIXNGHCBBHEK-YZSQISJMSA-N 469.994 4.032 50 50 JIGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc(Br)c2)C2=C1C[C@@H](c1ccccc1)CC2=O 691425 KNVVLLHTJHNKKH-VGSWGCGISA-N 463.379 4.420 50 50 JIGA Cc1n[nH]c2c1[C@H](c1cc(Br)ccc1OCc1ccccc1C#N)C(C#N)=C(N)O2 1140073 ZTQKNXXNMPYCPN-HXUWFJFHSA-N 462.307 4.149 50 50 JIGA COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1OC 20259263 OTHNCNATAWBVKW-YDZHTSKRSA-N 479.540 4.234 50 50 JIGA C[C@H](NC(=S)NNC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F)c1ccccc1 36007510 QKLSAZBNSSTYKT-GDIGMMSISA-N 470.549 4.116 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1 2584689 UYTVZOYPKNHEHD-MZJWZYIUSA-N 498.919 4.358 50 50 JIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4259632 XOTZYWJGDNTMRX-DHRITJCHSA-N 461.349 4.145 50 50 JIGA Cc1ccc(Cn2c(SCC(=O)N/N=C/c3ccccc3C(=O)O)nc3ccccc32)cc1 5350193 SAPKSFHGCXGKHF-VULFUBBASA-N 458.543 4.334 50 50 JIGA O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccccc1 43190761 SMYIBBLKGCGOLU-BPRIINSWSA-N 494.503 4.309 50 50 JIGA COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1OC 1110967 FQXUEMFAICKBGZ-QGZVFWFLSA-N 453.296 4.075 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)C(=O)Nc1cccc(Cl)c1Cl 2521830 BQXVWTRFWWVRES-RPPGKUMJSA-N 474.275 4.441 50 50 JIGA COC(=O)COc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1I 16383904 YGZMDXQGJXEIND-ZSOIEALJSA-N 473.270 4.092 50 50 JIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 43190755 DUUXGNMYCMWLIF-AFUMVMLFSA-N 483.318 4.206 50 50 JIGA CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCSSCCC(=O)O)[C@@H](C2CCCCC2)C1 1875388761 PHQJUDYEIGTHNN-SJORKVTESA-N 460.662 4.022 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)cc3)n2-c2ccccc2)cc1 1240764 CKLHJLQLVOZANW-WGOQTCKBSA-N 457.559 4.494 50 50 JIGA O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520276 GTSBZJJBHBSCMC-DHRITJCHSA-N 455.301 4.335 50 50 JIGA COc1ccc(-c2nn(Cc3ccccc3F)cc2/C=C(\C#N)C(=O)NCc2ccccn2)cc1OC 20259271 FRSJFWPBJMPJRE-FYJGNVAPSA-N 497.530 4.373 50 50 JIGA COc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1COc1ccc(F)cc1F 2759980 UIIAKBUSXYETMC-LGJNPRDNSA-N 455.417 4.153 50 50 JIGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 4232343 HHVHFADWHGZXDM-FSJBWODESA-N 493.328 4.466 50 50 JIGA CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccs4)ccc32)cc1 1857799505 HAEWGNBGGJAIGA-FQEVSTJZSA-N 456.570 4.456 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 2570274 OWWONSPAEYGJCH-CVKSISIWSA-N 452.894 4.487 50 50 JIGA CCc1c(C(=O)NNC(=S)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)csc1C 20191669 SIDDCEUUQGNSLX-SNVBAGLBSA-N 451.639 4.223 50 50 JIGA CCOC(=O)c1c(NC(=S)NNC(=O)c2csc(CC)c2)sc2c1CCCCC2 20191871 DJPDVACTJZEHFQ-UHFFFAOYSA-N 451.639 4.449 50 50 JIGA CCCc1n[nH]c2c1[C@@H](c1cc(OCC)c(OC(=O)c3cccs3)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 8854875 MWEXAJOEYYIVIR-SFHVURJKSA-N 495.517 4.168 50 50 JIGA COc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 408732647 XARIERHYPJLQOG-MZJWZYIUSA-N 462.506 4.361 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(OC)c3)cc2OC)cc1 2531475 KBBYJFGCUKUJNA-WPWMEQJKSA-N 462.502 4.476 50 50 JIGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(c3ccc(F)c([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c1 673534 FSRSWYGUGPQHOQ-JOCHJYFZSA-N 464.453 4.056 50 50 JIGA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(N)=O)N1 1196771 IWTNEOKAPYQMLO-OAQYLSRUSA-N 452.967 4.202 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C)n2-c2ccccc2)cc1 1474895 XQQMHSOFGDHBLB-WGOQTCKBSA-N 457.559 4.494 50 50 JIGA C=C(C)Cn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(Br)cc1 2385206 GSPCZOYKAJWAAM-UFFVCSGVSA-N 460.357 4.119 50 50 JIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 2530438 OTURJBQGFTXSQQ-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)cc1 2532125 BIJZQJOPSBPMQC-MUFRIFMGSA-N 451.530 4.036 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1OC(=O)c1ccc(OC)cc1 4303191 KVUUXKRWPATVOD-JVWAILMASA-N 462.502 4.151 50 50 JIGA CCc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccc(F)cc43)C3=C2CC(C)(C)CC3=O)cc1 12413329 XXLQVRNPFFJQBU-HHHXNRCGSA-N 456.521 4.435 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2OC)cc1 4259466 JACVFVCQVHIEMM-WJGWSCHNSA-N 482.920 4.494 50 50 JIGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccccc3)n[nH]2)cc1OC 5324818 NLZMPGBUIJYPLJ-JVWAILMASA-N 456.502 4.437 50 50 JIGA O=C(COc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1 1234618 RCFLJDWJMURSIH-RWPZCVJISA-N 468.465 4.317 50 50 JIGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 2531223 HUHFYRJXMMBDOG-XODNFHPESA-N 486.355 4.461 50 50 JIGA O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1Cl 2518585 AJKHEAASOXUYGO-DHRITJCHSA-N 456.285 4.301 50 50 JIGA O=C(CSc1nc2ccccc2s1)NNC(=S)Nc1ccc(Br)cc1 2913885 CRIUXIIBRNJOND-UHFFFAOYSA-N 453.412 4.169 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1 4330640 YSBYVEHWULEVKU-OGLMXYFKSA-N 492.528 4.484 50 50 JIGA Cc1nnc(SCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)n1-c1ccccc1 4231395 RARDQSWJOGALJV-ZVHZXABRSA-N 477.571 4.099 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 2518709 OGRLJMCMNALLNB-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(F)cc3)cc2OCC)cc1 4330149 MZRMUPWSHKJQJD-LQKURTRISA-N 480.492 4.371 50 50 JIGA COc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)c3cccs3)cc2)cc(OC)c1OC 12343172 JZEMTNDHLKIWOR-AFUMVMLFSA-N 453.520 4.180 50 50 JIGA O=C(N/N=C\c1cc(Br)cc(Br)c1O)c1ccc(Br)cc1 16666974 QERLWOMVFDBAFP-WSVATBPTSA-N 476.950 4.444 50 50 JIGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(Br)c1 2521123 QDTPZZPOWGMIQH-ZMOGYAJESA-N 498.289 4.349 50 50 JIGA C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1 2857649 JBIOMUUKQOYNBA-AWEZNQCLSA-N 472.328 4.474 50 50 JIGA O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1coc2ccc(Cl)cc2c1=O 4210240 UQXMDFRYBZZVIY-ZNLRHDTNSA-N 474.325 4.195 50 50 JIGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1 4259742 AVQQNVBVPUZTNO-DHRITJCHSA-N 471.282 4.337 50 50 JIGA COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)N/N=C(\C)Cn1nnc2ccccc21 25580801 KFKQSLICLQFYNX-JFLMPSFJSA-N 476.924 4.152 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2518575 GACYCUXQSAKCCZ-FOKLQQMPSA-N 462.314 4.363 50 50 JIGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)c(Cl)nc2c1 4210655 XALMWXDWFMLMLZ-OPEKNORGSA-N 451.939 4.097 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/C(C)=C\c2ccccc2)sc2c1CC[C@H](C)C2 43639810 ZQPIMJCFQFITOW-YEQUTLDQSA-N 453.564 4.194 50 50 JIGA Cc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 2420815 BMGGEFKEPILKEM-ASHKIFAZSA-N 453.498 4.106 50 50 JIGA O=C(N/N=C\c1cc(O)c(Br)cc1Br)c1ccc(Br)cc1 16666977 FVCJDHWBIIMTME-WSVATBPTSA-N 476.950 4.444 50 50 JIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2[C@H]1c1ccc(F)c(F)c1 1775977044 VTBSZUMIIJRRCZ-OAQYLSRUSA-N 458.417 4.090 50 50 JIGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c1 2544326 QFAKOTNEZKORMP-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1ccc(C)c([N+](=O)[O-])c1 2855608 UDCUHEJDFJTBNT-UHFFFAOYSA-N 498.586 4.364 50 50 JIGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 4260541 KKYXRYJJLDFUTK-DHRITJCHSA-N 499.752 4.444 50 50 JIGA Cc1ccc2cc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)c(Cl)nc2c1 25540127 OVSSWWRRJQVWGP-RWPZCVJISA-N 491.979 4.348 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc2c(c1)OCO2 2529652 XDWJBUDHLNLBOY-WYMPLXKRSA-N 467.275 4.161 50 50 JIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 2543795 VCTFZTSRCOXMFU-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA COc1ccc(/C=N/NC(=O)CCn2nc(C(F)(F)F)cc2C)cc1COCC(F)(F)C(F)F 13959417 HHLUIRXTTZRYPJ-HIUVJMHLSA-N 498.399 4.176 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)c2csc3c2CCCC3)sc2c1CC[C@@H](C)C2 20562781 RACIUZAJRLQMEU-LLVKDONJSA-N 463.650 4.231 50 50 JIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 2521096 SWRWKIPTPBRHET-XODNFHPESA-N 484.339 4.401 50 50 JIGA O=C(Oc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)c(OC(=O)c2ccccc2)c1)c1ccccc1 2542879 IZWFWLHSLPHLHX-STBIYBPSSA-N 496.475 4.300 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(F)cc3)cc2OC)cc1 4354561 NYFGYBKEFLYGTJ-LQKURTRISA-N 480.492 4.371 50 50 JIGA CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 4658667 UTLRJDNTXOYETC-QFIPXVFZSA-N 462.531 4.039 50 50 JIGA CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 196043054 FAYODBRURYKPFY-HXUWFJFHSA-N 453.655 4.489 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccnc3)n2-c2ccc(Cl)cc2)cc1 1249162 SGHABESQKHBNFQ-VULFUBBASA-N 478.965 4.234 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 2542961 BQCHTIVSPUYOHL-XODNFHPESA-N 484.339 4.401 50 50 JIGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OCc1ccc(Cl)cc1 2518508 MEQMQBWONBLFRW-JFLMPSFJSA-N 481.936 4.415 50 50 JIGA CC[C@@H](C)NC(=S)NNC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 2793874 HZZGDVUDUOGZSZ-SNVBAGLBSA-N 460.781 4.182 50 50 JIGA Cc1nc(NC(=O)OC(C)(C)C)ncc1C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1 1875358768 JIOOMBJOMWQQIB-UHFFFAOYSA-N 489.458 4.365 50 50 JIGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C1C[C@@H](c1ccccc1)CC2=O 1176923 PCYCZGHJTBIWSK-VGOFRKELSA-N 463.379 4.420 50 50 JIGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccn(Cc2ccc(Cl)cc2Cl)n1 8396374 FWTVJUDENCOVHV-BHGWPJFGSA-N 463.321 4.028 50 50 JIGA C/C(=N/NC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1cccc(NC(=O)c2ccnn2C)c1 20572696 RPDLBCDSZNRDGX-DBFSUHOCSA-N 477.418 4.063 50 50 JIGA C[Si](C)(COC(=O)c1ccc([N+](=O)[O-])cc1)O[Si](C)(C)COC(=O)c1ccc([N+](=O)[O-])cc1 195798099 LRSOUKHMHVBARY-UHFFFAOYSA-N 492.589 4.022 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2OC)cc1 2531798 KKIFGFVXBCICOB-JFLMPSFJSA-N 482.920 4.496 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3C)cc2)cc1 2542581 RJONNXOJQGKRSQ-JFLMPSFJSA-N 479.920 4.355 50 50 JIGA CC(C)CC(=O)N[C@@H](Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)C(Cl)(Cl)Cl 6133937 LTFXPNRRJKTFQV-GRMYTIJRSA-N 486.783 4.394 50 50 JIGA COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)cc1 9353571 GIQXMVSGAOYCRY-QGZVFWFLSA-N 472.364 4.168 50 50 JIGA Cc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 25576168 YJLFHLFILPURBR-GOSISDBHSA-N 452.268 4.070 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1cccnc1 731283 JNUZTALGCQAZTE-WYMPLXKRSA-N 458.699 4.481 50 50 JIGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1 2520135 KXWMQUFPRDIIPM-WKULSOCRSA-N 471.948 4.381 50 50 JIGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccnc1 16791012 JWHOZQMOCMTIRJ-DEDYPNTBSA-N 450.458 4.066 50 50 JIGA COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC 43761054 SJAVZEYBIISGIN-VULFUBBASA-N 468.893 4.349 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc4ccccc34)cc2)cc1 2542489 XRXFOJBFFKEGJY-FDAWAROLSA-N 495.535 4.338 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 2597264 PKFGFXCQFWNGRN-DHRITJCHSA-N 469.881 4.365 50 50 JIGA CCSc1nc(C)cc(OC/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 4583325 RVKIXLCZLMLJNK-PLRJNAJWSA-N 451.508 4.018 50 50 JIGA CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1 13577026 CEYURJLGDKTDJF-LGUFXXKBSA-N 481.574 4.184 50 50 JIGA C/C(=N\NC(=O)c1nn(C)c(C)c1Br)c1cccc(NC(=O)c2ccc(F)cc2)c1 673269 BJKBVQDMNKXXDW-BRJLIKDPSA-N 472.318 4.036 50 50 JIGA COc1c(Br)cc(/C=N/NC(=O)COc2cccc(C)c2)cc1Br 3136472 XSHOSYQUNNNZMQ-AWQFTUOYSA-N 456.134 4.058 50 50 JIGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 1469311 PCNJGGRKDKGMQN-YZSQISJMSA-N 455.474 4.370 50 50 JIGA Cc1cccc(NC(=S)NNC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@H]3C(F)F)c1C 2793770 NALNYNJXMDZVMN-MOPGFXCFSA-N 470.549 4.494 50 50 JIGA COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 20220947 BKBKCMABSUUBES-JLHYYAGUSA-N 453.432 4.161 50 50 JIGA C/C(=N\NC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccc(-n2cnnn2)cc1 25783246 KOSFAYGYVYJGAD-UXHLAJHPSA-N 481.560 4.366 50 50 JIGA CC(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)c(F)c2)cc1 1857798433 GVENNEDEWIVYDQ-QHCPKHFHSA-N 482.464 4.153 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(OCc4ccccc4)cc3)n[nH]2)cc(OC)c1OC 3970201 BRENBTCPWHCYMG-LQKURTRISA-N 486.528 4.445 50 50 JIGA N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 12375078 KEKNFPLQSVCXTL-HXUWFJFHSA-N 497.580 4.239 50 50 JIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21 12402224 UTZOKKYOBGFBHL-RUZDIDTESA-N 464.447 4.151 50 50 JIGA N#C/C(=C\c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1nn(CCO)c(N)c1C#N 15658932 LPQNXPHNECHBSN-RIYZIHGNSA-N 472.307 4.418 50 50 JIGA CCCOc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1OC 20572786 JCSGVHVNOITNOF-LZYBPNLTSA-N 473.323 4.199 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)n2-c2ccccc2)cc1 1794036 AEKIYHHPLSZESU-WPWMEQJKSA-N 486.601 4.251 50 50 JIGA Cc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@@]2(C)c2ccccc2)C(C#N)=C(N)Oc2[nH]nc(C)c21 10035287 TWRHJGJERGJLIP-NSOVKSMOSA-N 465.557 4.234 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc1 25504617 HRBATXMHRNAYKN-OCSSWDANSA-N 465.509 4.248 50 50 JIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1Cl 2521796 GIJORJGFRRJWBZ-LSHDLFTRSA-N 471.138 4.410 50 50 JIGA COc1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 1211036 AFMHUONVCQXYDR-JVWAILMASA-N 456.502 4.086 50 50 JIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C(=O)O)n2-c2ccc(C)cc2)cc1 2360739 BEJBDDYJERUALW-JFLMPSFJSA-N 485.569 4.492 50 50 JIGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 5297159 DAFUHLBDZKHFDP-ZMOGYAJESA-N 463.339 4.406 50 50 JIGA N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 1056441 UYYSJLJDBIAFKX-NRFANRHFSA-N 464.319 4.483 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1cccc(Br)c1 2521158 KUNQKCXPVYXVCJ-ZMOGYAJESA-N 469.291 4.146 50 50 JIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 4229693 OLNXOLBVSJUZOK-IPPBACCNSA-N 475.911 4.212 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2OC)cc1 2542781 KGJMEOBDEOJBKV-JFLMPSFJSA-N 482.920 4.496 50 50 JIGA CCc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F 2793854 CFOXQAPYYJIVAL-MOPGFXCFSA-N 470.549 4.440 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 4331152 SHSCBBVCMMDTQE-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NC(C)(C)C)N1 9375393 BURXZPYXGQSCKP-NRFANRHFSA-N 468.554 4.401 50 50 JIGA CCc1ccc(OCC(=O)NNC(=S)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 20192698 VXXHJYPVMZAMGW-UHFFFAOYSA-N 483.615 4.469 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)/C=C/c1ccccc1 2521132 AZNSBGZOOOOSTL-PHGNHDHESA-N 477.904 4.056 50 50 JIGA Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cccc3cccnc23)cc1 2944192 HYXIGUAUIYZRCA-LQKURTRISA-N 476.533 4.028 50 50 JIGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229767 QMBPDAVZDANDFQ-ROVKIZRMSA-N 459.458 4.131 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1cc(O)cc(O)c1 13322074 LQSIEPUOJWMGBB-BHGWPJFGSA-N 459.271 4.342 50 50 JIGA N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1ccc(OC(=O)c2cccs2)cc1 13403940 CLTJTZWHESDFNG-IBGZPJMESA-N 485.481 4.484 50 50 JIGA Cc1ccc(COc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Br)c3)cc2)cc1 2532071 GNXYGMSPGHLZNH-MZJWZYIUSA-N 480.362 4.217 50 50 JIGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4209331 YDYRESUNYVUFSX-CNYYWFKQSA-N 459.458 4.131 50 50 JIGA C/C(=N\NC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1cccc(-n2cnnn2)c1 19808412 KBDVKUJQZRJMCM-WGOQTCKBSA-N 491.349 4.158 50 50 JIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 691489 NRLNWDGMWRSCCL-DVECYGJZSA-N 460.965 4.081 50 50 JIGA C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1cccc(-n2cnnn2)c1 25783530 SXMJUZHGUDTPOA-CCVNUDIWSA-N 494.342 4.375 50 50 JIGA O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4261076 ZFRHYRBMZLUBAJ-DHRITJCHSA-N 461.349 4.145 50 50 JIGA CCOc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 2433785 YGPAMXVWSFGJPU-HHHXNRCGSA-N 459.546 4.232 50 50 JIGA Cc1cccc(OCC(=O)N/N=C2\C(=O)N(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc32)c1C 245226090 HQFYCYRPKPERLO-CMAKWNEWSA-N 488.632 4.407 50 50 JIGA CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1 2332181 YGXIEZWMEVUCFK-BUVRLJJBSA-N 453.568 4.005 50 50 JIGA C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 2363307 DACZQMVLDVTJLF-SBRBXRRPSA-N 480.160 4.053 50 50 JIGA CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(Br)ccc1OC 2506338 MZOKPUGQVWPJNU-KEBDBYFISA-N 456.134 4.383 50 50 JIGA COc1cc(C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc(OC)c1OC 4210929 IPVRSSIRRFRABE-TZOCXZALSA-N 460.486 4.095 50 50 JIGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 4261218 GVGALRZDGCOAEJ-CCVNUDIWSA-N 468.435 4.355 50 50 JIGA COc1cccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)c1 9087643 BXUMSODEFRGRHF-QGZVFWFLSA-N 472.364 4.168 50 50 JIGA COc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)cc(OC)c2O)cc1 1776111115 HWNFYQVMPWWKCQ-DHRITJCHSA-N 498.333 4.188 50 50 JIGA Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2ccc(C(F)(F)F)cc2)C2=C1C(=O)CCC2 1422435 BTOFVLMQGYGXEB-DEOSSOPVSA-N 464.447 4.425 50 50 JIGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)C(=O)Nc1cc(Cl)ccc1Cl 2530391 ALGIAYVTXXMOKQ-RPPGKUMJSA-N 474.275 4.441 50 50 JIGA CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C(F)(F)F)cc3)[C@@H]2C1 16034264 KKJDAOCBMTWJPY-MOPGFXCFSA-N 469.467 4.366 50 50 JIGA CC(=O)O[C@@H]1O[C@@]2(CCC[C@@H]2O[Si](C)(C)C(C)(C)C)C[C@H]1S(=O)(=O)c1ccccc1 169836757 QHXNLNGMJKAPJD-DYQZNNLLSA-N 454.661 4.452 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)ccc1OCc1ccccc1 1427733 OILGROMTFCLNSZ-XMMPIXPASA-N 465.509 4.344 50 50 JIGA COc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccccc2)cc1Cl 13154874 OSXATEINYJFGII-HZHRSRAPSA-N 477.995 4.146 50 50 JIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1C(F)(F)F 691438 LIIZMLJGLRAZSV-HOYKHHGWSA-N 494.517 4.446 50 50 JIGA N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Br)cc1 2520983 FEVPCTUPMIVSQI-IERDGZPVSA-N 487.361 4.266 50 50 JIGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 2584808 XBFNLQZKKUJMCN-VULFUBBASA-N 468.893 4.106 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cnccn2)cc1 2542504 VRDNGPZPSPCGRV-LGJNPRDNSA-N 483.322 4.011 50 50 JIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2544217 CKXRRIQUFUJJCS-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA COc1ccc(C(=O)NNC(=S)NCCc2ccccc2)cc1COc1ccccc1Cl 2795450 ZLJVRJGCWGUBAK-UHFFFAOYSA-N 469.994 4.279 50 50 JIGA C=CCc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(OC)cc3)c2)c(OC)c1 4360287 OAWKGYUXWTXNAU-OGLMXYFKSA-N 474.513 4.181 50 50 JIGA CCc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccc(F)cc43)C3=C2CC(C)(C)CC3=O)cc1 12413331 XXLQVRNPFFJQBU-MHZLTWQESA-N 456.521 4.435 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccnc3)n2-c2ccc(C)cc2)cc1 1299802 LWXIIORPNFNVER-OVVQPSECSA-N 472.574 4.279 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 2532121 BQDVWCZUJHKELX-RDNGCLMOSA-N 496.350 4.492 50 50 JIGA O=C(NNC(=O)c1c(Cl)cccc1Cl)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 263640026 UAGYMBRWHNGXOQ-UHFFFAOYSA-N 451.619 4.388 50 50 JIGA Cc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@H]2C)C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 2420817 BMGGEFKEPILKEM-LOKFHWFJSA-N 453.498 4.106 50 50 JIGA C[C@@]1(C(=O)N/N=C/c2ccc(COc3ccc(C#N)cc3)o2)CC1(Br)Br 2767501 ZBKOAKKNZYMYBP-NUYDQDRBSA-N 481.144 4.076 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OCC)cc3)cc2)cc1 4282353 OFILDCZPLMGTLP-MTDXEUNCSA-N 489.528 4.182 50 50 JIGA COc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)c2ccccc2)c2cc(C)cc(C)c2)cc1OC 8424458 MBBZKDBIJRLDKM-NHFJDJAPSA-N 495.601 4.056 50 50 JIGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(OC)c(OC)c2)s1 20562536 AVOMIRAFUCFHFC-DHDCSXOGSA-N 480.546 4.440 50 50 JIGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1OCc1ccccc1 945938 NLNQJPGEHAOSLE-CVKSISIWSA-N 460.559 4.403 50 50 JIGA Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)cc2)cc1 2518734 SGOISHDLFKQRHL-AFUMVMLFSA-N 466.335 4.425 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccc(OC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 2584752 RYDJUTNTFJXBNW-JFLMPSFJSA-N 482.920 4.496 50 50 JIGA COC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C(C(=O)Nc2ccccc2OC)=C(C)N1 9375353 ZBPWYUUWXGQFNR-QFIPXVFZSA-N 467.522 4.075 50 50 JIGA Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)c1 2542821 JFVOSODZSFSSAR-WCMJOSRZSA-N 483.499 4.387 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Cl)c3)cc2)cc1 4261192 JDKWKHAKKHDJJM-MUFRIFMGSA-N 493.947 4.228 50 50 JIGA C/C(=N\NC(=O)COc1ccc(Br)cc1[N+](=O)[O-])c1ccc(Br)s1 9905870 AVEKIQQPDZODOE-CAOOACKPSA-N 477.134 4.101 50 50 JIGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2C)s1 16345461 NTCFBPAXAIIWJT-UHFFFAOYSA-N 470.016 4.236 50 50 JIGA CCOc1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 2521894 LLAKKZRTXXAFID-BUVRLJJBSA-N 457.939 4.303 50 50 JIGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 2552903 REFIDENGCQPRTK-OGLMXYFKSA-N 451.482 4.456 50 50 JIGA CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1OC 8809596 ILLJUBDFURODIY-JOCHJYFZSA-N 490.585 4.250 50 50 JIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 4295952 FHXBVMQXOHGRMO-MZJWZYIUSA-N 480.362 4.217 50 50 JIGA COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(C)cc1 1113720 QJOOOCZRQKFRQI-SFTDATJTSA-N 483.977 4.067 50 50 JIGA COc1ccc(/C=N/NC(=O)COc2ccc(Br)c3ccccc23)cc1[N+](=O)[O-] 1234703 QVFUTTQNDJPWLK-SSDVNMTOSA-N 458.268 4.048 50 50 JIGA Cc1nn(C)c(C)c1[C@H]1C(C#N)=C(N)Oc2c1c(C(F)(F)C(F)(F)F)nn2-c1ccccc1 2789541 GGQQSOYBUGEQKS-OAHLLOKOSA-N 464.398 4.095 50 50 JIGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1 4282853 CZFFYIVQVWIJNP-DHRITJCHSA-N 499.752 4.444 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3OC)cc2OCC)cc1 4330112 YTPZIXYPQRIZNY-OGLMXYFKSA-N 492.528 4.241 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 256072841 BDSYKGHYMJNPAB-LKUULFEISA-N 484.967 4.051 50 50 JIGA world O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1)NCCc1ccccc1 2964167 NIWHFFIJEXEMGH-UXHLAJHPSA-N 467.525 4.047 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](O)c3ccccc3)cc2OCC)cc1 4296094 NIOKWIKIUGDXIO-MJHSOURCSA-N 476.529 4.277 50 50 JIGA COc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)c2)cc1 4360318 MKKVJJBKSDLNOU-KSXCTLEASA-N 452.894 4.485 50 50 JIGA N#CC1=C2N=C(N)c3c(sc4c3C3CCN4CC3)N2C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 12375079 KEKNFPLQSVCXTL-FQEVSTJZSA-N 497.580 4.239 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 2542660 ITRPVXCTEJLKIP-JVWAILMASA-N 478.501 4.094 50 50 JIGA CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(OC)c(OC)cc2Br)C(C#N)=C(N)O3)cc1 9282140 HAUBNICOERVBOV-IBGZPJMESA-N 497.349 4.473 50 50 JIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2[C@H]1c1ccncc1 1857799989 TZASEHPBMGPATJ-HXUWFJFHSA-N 473.432 4.086 50 50 JIGA COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Br)cc4)c32)c1OC 1108362 QBKCSNGVYKODLQ-INIZCTEOSA-N 453.296 4.075 50 50 JIGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(Cc2ccc(F)cc2Cl)CC1 8454267 ZEZOUSYLFSJJOC-BHGWPJFGSA-N 453.301 4.403 50 50 JIGA O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4259614 ZMBSHBJJOLUMRZ-NDZAJKAJSA-N 498.583 4.417 50 50 JIGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccc(Oc2ccccc2)c1 4287384 WZJJEDNDKCLRIL-AFUMVMLFSA-N 452.308 4.122 50 50 JIGA CN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2[N+](=O)[O-])c2ccccc21 16134256 JLPATVMKKDFOME-QYQHSDTDSA-N 466.538 4.184 50 50 JIGA COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 2531202 CGQOVNHBICUQGG-VULFUBBASA-N 454.910 4.465 50 50 JIGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1C)C(=O)N2C 15018533 CDWLDNHZDXKDHO-QOMWVZHYSA-N 472.383 4.239 50 50 JIGA CCOC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2)sc2c1CCCC2 20168482 WLLOYAJOBSPOSJ-UHFFFAOYSA-N 481.640 4.194 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2OC)cc1 657553 ZQTCEQFBIOOLQQ-VULFUBBASA-N 468.893 4.106 50 50 JIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1C(F)(F)F 691433 LIIZMLJGLRAZSV-KOSHJBKYSA-N 494.517 4.446 50 50 JIGA CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OC(=O)c1ccc(Cl)cc1 2584822 RTGICDXJOUOLOH-DHRITJCHSA-N 454.866 4.133 50 50 JIGA Cc1cc(C)c2c(c1)/C(=N/NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1)C(=O)N2 16268693 CNCLRYNSLHIXMZ-KKTPBOSZSA-N 464.525 4.103 50 50 JIGA COc1ccc(N2CCN([C@@H](C(=O)NNC(=O)Nc3cccc(Cl)c3)c3ccccc3)CC2)cc1 16384103 ZGIMPBMPVOTQQX-XMMPIXPASA-N 493.995 4.065 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(F)cc3)cc2)cc1 2519900 NOEHVZZSMKOEIE-JVWAILMASA-N 450.466 4.363 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2584731 YRSGTRADCCETKC-OPEKNORGSA-N 475.284 4.396 50 50 JIGA O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 4282527 HRTCFZJNUWMWSX-DHRITJCHSA-N 455.301 4.335 50 50 JIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 4354957 DWTXJIMEDWZDHS-WKULSOCRSA-N 495.963 4.206 50 50 JIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3cccc(F)c3)ccc2[C@H]1c1ccc(F)c(F)c1 1857799441 CMVOLPMRSBRYFE-OAQYLSRUSA-N 458.417 4.090 50 50 JIGA Cc1cc2c(cc1Br)NC(=O)[C@@]21C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 753099 KBDCRKNKTJWHCF-JBEBIEQOSA-N 476.330 4.072 50 50 JIGA COc1cc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 2542461 JUNWQDOFLYTXOV-VULFUBBASA-N 468.893 4.349 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc4ccccc34)cc2)c1 2543170 PKLHUOVNAUKQEN-OCSSWDANSA-N 465.509 4.248 50 50 JIGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 4282554 NYDXRANAFGLHIG-ZMOGYAJESA-N 498.289 4.106 50 50 JIGA O=C(COc1ccccc1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 4366293 SWXXMBOWFPCOQP-ZVHZXABRSA-N 453.292 4.197 50 50 JIGA O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(Br)c(O)c(Br)c1O 22115071 RMBDLOATEPYBSI-NUGSKGIGSA-N 493.155 4.338 50 50 JIGA in-vitro COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 3162636 UZQIKGMQBRYVFW-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 4287174 LOUQGNQRPWPAEE-LQKURTRISA-N 455.493 4.330 50 50 JIGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 1427519 KWJXWIKICHRCIY-ZMOGYAJESA-N 498.289 4.106 50 50 JIGA O=C(N/N=C/c1ccccc1Br)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4230276 OJXNKVDNQQQMAE-HYARGMPZSA-N 458.337 4.014 50 50 JIGA C/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)c2ccc(Br)o2)c1 669075 LIGRHZBMXFKFEQ-AUEPDCJTSA-N 478.734 4.144 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 2531326 OLHGEQLAQLWHHY-STBIYBPSSA-N 497.507 4.165 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1 2544222 UVXDCKZVZAEUME-AFUMVMLFSA-N 480.318 4.066 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)cc2)cc1 4259293 JDYCEBSIYLSKTL-KSXCTLEASA-N 452.894 4.485 50 50 JIGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 43761097 QTSNLUYIHXQAMC-AFUMVMLFSA-N 466.335 4.425 50 50 JIGA Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1 4261120 XLFZPYQEVPGZGI-AFUMVMLFSA-N 479.334 4.099 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 1474917 JNYOTEOVCOGDSE-MFKUBSTISA-N 488.529 4.094 50 50 JIGA COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 2506417 AJRIRPOAYWOGJG-VULFUBBASA-N 452.894 4.405 50 50 JIGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5344810 KEQXHMAGTJZSKO-MFKUBSTISA-N 464.934 4.453 50 50 JIGA CCOc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)ccc1O 1798432 SAGIAVPXMHDHQF-SRZZPIQSSA-N 460.606 4.177 50 50 JIGA COc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2389052 SWULOXHNGWGFOZ-VULFUBBASA-N 454.910 4.465 50 50 JIGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1OC 2531361 ISYJIFOPHJNVNR-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1OC 6428264 XPEKPBFSPMOGRD-RKFHHQNWSA-N 496.567 4.425 50 50 JIGA CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21 12402225 UTZOKKYOBGFBHL-VWLOTQADSA-N 464.447 4.151 50 50 JIGA Cc1cc(C)nc(S[C@H](C)C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)n1 22023151 IAVJLNPRDAUXAH-ZRWQFTNJSA-N 465.535 4.212 50 50 JIGA O=C(N[C@H](C(=O)NN=Cc1cccc2ccccc12)c1nnc(O)c2ccccc12)c1ccccc1 252678596 FWUWEAZKNWCZME-VWLOTQADSA-N 475.508 4.110 50 50 JIGA aggregator COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3Cl)cc2OC)cc1 2521941 BERGIMDFUIYOGK-VULFUBBASA-N 468.893 4.106 50 50 JIGA CCCCCCn1c(=O)c(C(=O)N/N=C/c2cc(OC)cc(OC)c2OC)c(O)c2ccccc21 102264895 UBOIBAUTHLPHIZ-JVWAILMASA-N 481.549 4.077 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1cccc(Br)c1 2521156 QMRPEUUUGHCUHC-ZMOGYAJESA-N 469.291 4.146 50 50 JIGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 4282206 RWGIVSPUDZXPAH-MZJWZYIUSA-N 452.942 4.256 50 50 JIGA COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCCN1CCOCC1 20228600 JNFQDGSSHHTTBX-SFQUDFHCSA-N 476.360 4.259 50 50 JIGA Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N3c4c(cccc41)[C@@H](C)CC3(C)C)C(C#N)=C(N)O2 2199279 IGKBQQYBPQYDAW-QZXCRCNTSA-N 451.530 4.186 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1 4355055 SRTUURCBMUJYMI-ZVHZXABRSA-N 452.308 4.117 50 50 JIGA CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1cccnc1 1843815 SQXYWOYSDBYNHN-HSZRJFAPSA-N 495.564 4.432 50 50 JIGA aggregator COc1c(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cccc1[N+](=O)[O-] 2173078 HLHLFMNICLBQJG-UONOGXRCSA-N 458.106 4.442 50 50 JIGA CCn1c(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)nnc1-c1ccc(OC)cc1 2347528 ZLIZIJLNYUBRBY-BRJLIKDPSA-N 463.485 4.235 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 2518464 UDIFWJKPYSIRKU-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3)cc2OC)cc1 4258542 SUEWAZKMYDBFJZ-VULFUBBASA-N 468.893 4.106 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)[C@H](O)c1ccccc1 4355426 NHUXPDRUHRQXSG-PFRKPPGBSA-N 467.319 4.160 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(F)c3)n2-c2ccccc2)cc1OC 1475051 NCHWJTMUDDEUCA-JFLMPSFJSA-N 491.548 4.333 50 50 JIGA NNC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccccc1Cl 55450223 VUURUYRMALZRDT-OAQYLSRUSA-N 487.785 4.024 50 50 JIGA C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 659780 KXOHBFVTMMGGPY-DICXZTSXSA-N 465.893 4.240 50 50 JIGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 3102426 OMOVGAGWUJULRC-JVWAILMASA-N 469.453 4.496 50 50 JIGA COc1ccc(/C=N/NC(=O)[C@]2(C)CC[C@@H](c3nc4ccccc4[nH]3)C2(C)C)c(C(=O)O)c1OC 9730980 BXJXXEQZPGKTQC-PLKIWELZSA-N 478.549 4.339 50 50 JIGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 731184491 YTSYAKHQTUKVFK-CLJLJLNGSA-N 488.551 4.106 50 50 JIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1 2532128 ZANFLUIAQWRSJY-XODNFHPESA-N 484.339 4.401 50 50 JIGA N#C/C(=C\c1ccccc1OCC(=O)NCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 16361750 RSAGFFCMMDGWRP-PXLXIMEGSA-N 474.524 4.086 50 50 JIGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl 1230372 WQEXZMBDXORWCX-UHFFFAOYSA-N 459.307 4.295 50 50 JIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4347124 XQQXMCRCZWHCAT-UVHMKAGCSA-N 456.329 4.453 50 50 JIGA N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)OC2)[C@]12C(=O)N(Cc1ccccc1Cl)c1ccccc12 12376684 DZJJJQFUPDYZPT-MUUNZHRXSA-N 494.938 4.150 50 50 JIGA biogenic CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 13174272 UTLRJDNTXOYETC-JOCHJYFZSA-N 462.531 4.039 50 50 JIGA O=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)C(=O)Nc1ccc(F)cc1 4210307 ZOSGYJRNTVNRAM-DHRITJCHSA-N 470.298 4.256 50 50 JIGA Cc1cc([N+](=O)[O-])ccc1N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])s2)C2=C1CCCC2=O 12445880 SZSGWQIZDMLYFZ-IBGZPJMESA-N 451.464 4.178 50 50 JIGA Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 2542858 GFSZUYDJQXQAON-WCMJOSRZSA-N 483.499 4.387 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 657936 PMIIFEUITZQCBL-JFLMPSFJSA-N 482.920 4.496 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1cccc(F)c1 1145082 MMBXTBRXPWXDQB-LJQANCHMSA-N 485.313 4.426 50 50 JIGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1 2569208 XQFRVYBHRLWJLK-ZMOGYAJESA-N 498.289 4.106 50 50 JIGA COc1cc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)ccc1O 13940259 WEGCCKVDXQNBKF-FYJGNVAPSA-N 460.606 4.177 50 50 JIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 691491 NRLNWDGMWRSCCL-YADARESESA-N 460.965 4.081 50 50 JIGA CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c3cc(C)cc1c32 1460203 OIVDPJSRJIDZMR-HHHXNRCGSA-N 451.482 4.016 50 50 JIGA COc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)c1 2521674 DOICXHQXABRQPD-AFUMVMLFSA-N 483.318 4.449 50 50 JIGA CC(C)CNC(=S)NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 2793658 RZJZZZHBYBUKLC-SJLPKXTDSA-N 482.576 4.432 50 50 JIGA C[C@H](C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1)n1nc2ccccc2n1 8781289 WZQIFJKGOKQEJE-FRQJIFLKSA-N 478.350 4.484 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2OC)cc1 4283311 MOQRSSGJRGMKAZ-STBIYBPSSA-N 497.507 4.165 50 50 JIGA Cc1cc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)c(F)c2)ccc1F 1857799509 HJINCBAMVCZDPH-JOCHJYFZSA-N 472.444 4.398 50 50 JIGA C/C(=N\NC(=O)c1c(Cl)c(C)nn1C)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 695870 CKLNWOMKWVWFPZ-LGJNPRDNSA-N 474.348 4.207 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3F)n2-c2ccccc2)cc1OC 1307946 OILFFCNIRGYNJS-JFLMPSFJSA-N 491.548 4.333 50 50 JIGA COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1cccc(Br)c1 2521204 VWLGMXLGRZEGFC-BRJLIKDPSA-N 497.301 4.170 50 50 JIGA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(N)=O)N1 1196773 IWTNEOKAPYQMLO-NRFANRHFSA-N 452.967 4.202 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 2552596 QAWAKJMQVIILCM-OGLMXYFKSA-N 451.482 4.456 50 50 JIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccc(C)cc2)ccc2ccccc12 2531257 AMXLBQSMMPQQQG-STBIYBPSSA-N 481.508 4.465 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)cc2OCC)cc1 2531869 LWDZBZOWUDVBNF-JFLMPSFJSA-N 476.485 4.196 50 50 JIGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccs2)cc1 25504605 YTOKOLBCJMRQBG-JFLMPSFJSA-N 457.511 4.001 50 50 JIGA O=C1Nc2ccccc2C1=NNC(=O)c1scc2c1NC(=O)C2(c1ccccc1)c1ccccc1 685943911 LGKIRDFEOUCWKE-UHFFFAOYSA-N 478.533 4.121 50 50 JIGA COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(O)cc2O)cc1OC 2543801 YHOZMOOGCNLZGJ-RWPZCVJISA-N 486.480 4.251 50 50 JIGA NNC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1NC(=O)c1ccc(Cl)cc1 55129605 KIXIRULYAWBLQH-OAQYLSRUSA-N 487.785 4.024 50 50 JIGA COc1ccc(/C=N/NC(=O)c2ccncc2)cc1COc1ccc(I)cc1 659836 OAXHBDZBEIHUJD-ZMOGYAJESA-N 487.297 4.038 50 50 JIGA CCCOc1c(I)cc(I)cc1C=C(C#N)C#N 16671298 KUNKMQJJVVQRSY-UHFFFAOYSA-N 464.044 4.115 50 50 JIGA COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1OC 1110968 FQXUEMFAICKBGZ-KRWDZBQOSA-N 453.296 4.075 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2529600 QMKAWTCVVOGWFQ-UVHMKAGCSA-N 456.329 4.453 50 50 JIGA COc1cc(-c2n[nH]c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc(OC)c1OC 1217243 PRHGXOQDINOGQR-QGZVFWFLSA-N 472.423 4.339 50 50 JIGA NC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(Cl)cc1 2530333 LSZZKGMXOXNYLB-RPPGKUMJSA-N 472.284 4.434 50 50 JIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2cccc(C)c2)ccc2ccccc12 2531258 JGGLCUGIUNURSU-STBIYBPSSA-N 481.508 4.465 50 50 JIGA Cc1ccsc1/C=N/NC(=O)[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 20426801 JFNWDARYQRRSTJ-WUJFOHIQSA-N 453.395 4.164 50 50 JIGA CCCOc1cccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)c1 20573169 NPWPYIZKCAHOCI-SFQUDFHCSA-N 469.563 4.270 50 50 JIGA CCN(CC)CCCNC(=S)NNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 20613890 SVBGSELPXNYCFS-UHFFFAOYSA-N 473.426 4.006 50 50 JIGA COC(=O)/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1 100472497 QZSKJLKZUIXZNG-HPNDGRJYSA-O 466.497 4.425 50 50 JIGA CC1(C)OB(c2cc(CO[Si](C)(C)C(C)(C)C)c(B3OC(C)(C)C(C)(C)O3)o2)OC1(C)C 1772572668 SJBOWPMVBHBKJX-UHFFFAOYSA-N 464.293 4.400 50 50 JIGA O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 1234671 NVNRXIGGWLLMEN-JVWAILMASA-N 469.453 4.496 50 50 JIGA CCc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 2235694 BYEKMFWEWUSPOQ-HBIPHATFSA-N 462.557 4.494 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccco3)n2-c2ccccc2)cc1 2339347 JAOQHXDFUUQYHA-IHGQSFPHSA-N 459.531 4.443 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 2529737 PHEPDLVEERREBJ-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3coc4ccc(Cl)cc4c3=O)cc2)cc1 4231914 DNIHKNRFTWPFMX-LGJNPRDNSA-N 495.944 4.320 50 50 JIGA CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1O 1475107 NSAXLOAPAPFHBX-WGOQTCKBSA-N 473.558 4.281 50 50 JIGA COc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=N/NC(=O)c4cnccn4)cc3)sc2c1 19800636 XWPWBRJIZOQLGS-KBKYJPHKSA-N 466.906 4.336 50 50 JIGA O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1N1CCOCC1 8397839 CAHPBNWTJHOGDX-UHFFFAOYSA-N 464.889 4.471 50 50 JIGA O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc2ccccc12 2911302 AGXFQLRUOUNVLC-OVVQPSECSA-N 457.555 4.181 50 50 JIGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1 2565242 XLALASTVKNGPFT-ZMOGYAJESA-N 498.289 4.106 50 50 JIGA O=C(CCCNc1ccccc1)N/N=C/c1cc(Br)cc(Br)c1O 2996177 SJHSWSFAVOJQRB-SRZZPIQSSA-N 455.150 4.260 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nnc(C)n3-c3ccccc3)cc2)cc1 4229691 OMOJQFFLUMQOTK-JVWAILMASA-N 485.569 4.346 50 50 JIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 3038038 FJGJHUTVMLZTPB-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 25540069 VBCPOTCWKOZOLB-OVVQPSECSA-N 464.566 4.017 50 50 JIGA COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F)o1 824613958 OQNXIOKWIAUSBP-VAPIAZESSA-N 457.258 4.146 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1 43761114 YVRQXYNMUYEVLG-OGLMXYFKSA-N 451.482 4.456 50 50 JIGA CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12 2235691 BYEKMFWEWUSPOQ-OHZJNBGDSA-N 462.557 4.494 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl 2518532 YOAQPSOSUMLPQH-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccc(OCCCC)cc1 4260083 WNXVWUXUARBGOB-CVKSISIWSA-N 488.382 4.073 50 50 JIGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](O)c2ccccc2)c1 4355723 WSGFESCPPRJZNO-PFRKPPGBSA-N 467.319 4.160 50 50 JIGA COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1O 15746167 LYTCNYGRXYQRSK-IZZDOVSWSA-N 452.102 4.471 50 50 JIGA O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccncc1 4260148 BDRXMZNROFCUSP-RHKLABAMSA-N 450.292 4.227 50 50 JIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)s1 12401687 GWUIVZILOQHZNL-QGZVFWFLSA-N 452.609 4.374 50 50 JIGA CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COc2ccccc2C(N)=O)c1 20190190 VOAVPLIXGNVHAX-XMHGGMMESA-N 471.513 4.317 50 50 JIGA CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)cc2OC)cc1 2531492 BNYUNBNCOPNCME-JFLMPSFJSA-N 476.485 4.196 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 2542460 VKIJEWJLUNNNBB-YDZHTSKRSA-N 468.263 4.340 50 50 JIGA CCCCNC(=S)NNC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 2794346 CRWGYARTBBHLJJ-UHFFFAOYSA-N 460.781 4.184 50 50 JIGA COc1ccc([C@@H]2[C@@H](C(=O)C(C)(C)C)N3C=C(C#N)C=C[C@H]3C23C(=O)c2ccccc2C3=O)cc1 252383306 FDALTLQEMBGQBF-VXNXHJTFSA-N 466.537 4.490 50 50 JIGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 2530131 GNUZWTKLLOVLPS-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA COc1ccc(-c2cc(C(=O)NCCSSCCC(=O)O)nn2-c2ccccc2)cc1 1875388675 LQGOYMXXIGGHNI-UHFFFAOYSA-N 457.577 4.134 50 50 JIGA Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)s2)cc1 2329389 OKGSLQQJHMPNEH-UFFVCSGVSA-N 458.590 4.079 50 50 JIGA N#CC1=C(N)Oc2cc(OS(=O)(=O)c3c(F)cccc3F)ccc2[C@H]1c1ccc(F)c(F)c1 1857800702 QJYYHYCHCDRDJF-HXUWFJFHSA-N 476.407 4.229 50 50 JIGA O=C(N/N=C/c1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1)c1ccncc1 860655 YPRYVYFOPSNVOI-ZUXQIOPWSA-N 464.525 4.393 50 50 JIGA Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3O)n2-c2ccc(C)cc2)cc1 2360450 NFMJCPJUTZYLQR-CVKSISIWSA-N 457.559 4.499 50 50 JIGA N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nn(CCO)c(N)c1C#N 8442986 DTSCKBLSNNYJOA-CXUHLZMHSA-N 454.317 4.279 50 50 JIGA Cc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4ccc(S(=O)(=O)N(C)C)cc4)n3n2)cc1 1857800862 XNGXYAYSOLODIV-UHFFFAOYSA-N 476.389 4.493 50 50 JIGA C=C(C)Cn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1ccc(Br)cc1 2522019 SWKRJIAELFXKEC-FOKLQQMPSA-N 486.395 4.232 50 50 JIGA COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1cncc(Br)c1 16134242 NHAYUEUBGLGLFI-SWNXQHNESA-N 491.965 4.142 50 50 JIGA COc1ccccc1C(=O)N/N=C(\C)c1ccc(/C(C)=N/NC(=O)c2ccccc2OC)cc1 20159305 DUUHXCDJOJUJCV-XUIWWLCJSA-N 458.518 4.012 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Cl)cc3)cc2)cc1OC 2531102 PARGOHWVGXUWFU-ZXSUQFSISA-N 482.920 4.494 50 50 JIGA CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NC(C)(C)C)N1 9375395 BURXZPYXGQSCKP-OAQYLSRUSA-N 468.554 4.401 50 50 JIGA CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC(=O)OC 13943566 IJDYUHABNQHQRI-ZSOIEALJSA-N 456.296 4.340 50 50 JIGA CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 257355367 AJWNGOKNEBVXJK-HNDIQFDFSA-N 471.009 4.407 50 50 JIGA N#CC1=C(N)N(N2CCOCC2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1C(F)(F)F 691430 LIIZMLJGLRAZSV-UUOWRZLLSA-N 494.517 4.446 50 50 JIGA COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(F)c2)=C(C#N)[C@@H]1c1ccccc1Cl 1151885 QNNKXHTYSOMHFQ-OALUTQOASA-N 473.913 4.429 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(Br)cc(Br)c1O 2821021 JEKMIXCMFAWAOF-NGYBGAFCSA-N 492.949 4.149 50 50 JIGA CCc1cc(C(=O)OC)c(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)s1 20191794 QSTAEXPMIGEMMC-UHFFFAOYSA-N 476.020 4.141 50 50 JIGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@H]1c1ccccc1Br 239378248 OMHKFLFTFPMOEU-XJUOHMSHSA-O 465.396 4.175 50 50 JIGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2542473 DCKKDDFHMBKGHC-UVHMKAGCSA-N 470.312 4.093 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)sc2c1CCC2 20220648 KPVHTTDFBDWUEW-UHFFFAOYSA-N 488.031 4.067 50 50 JIGA COc1cc(/C=N/NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)cc(Br)c1O 22023102 UKHPCRGSSIKDQD-BCQUTSDVSA-N 494.345 4.085 50 50 JIGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C1\C(=O)N(C)c2c(C)cc(Br)cc21 1234362 MPDYMCHRCHPMBX-QQTULTPQSA-N 458.356 4.065 50 50 JIGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)c1 4210819 GZYKVJDAEQUOKC-MZJWZYIUSA-N 480.362 4.217 50 50 JIGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 43190764 PSTUKAUNBCYYDK-FSJBWODESA-N 493.328 4.466 50 50 JIGA O=C(NNc1nc2ccccn2n1)c1ccccc1SCc1nc2ccccn2c1Br 1875351542 ZWJQOHRXVIAUIE-UHFFFAOYSA-N 494.378 4.189 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(F)c3)n2-c2ccccc2)cc1 863879 XFTMAXYWSJZPIP-CVKSISIWSA-N 461.522 4.324 50 50 JIGA CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccccc1 4283590 JGFQLFCLHQNEGW-MOROIOLQSA-N 477.473 4.130 50 50 JIGA COc1cc([C@@H]2C(C#N)=C(SCC(=O)NC3CCCCC3)NC3=C2C(=O)CCC3)ccc1O 1144568 IXSRNCUMZJRXET-HSZRJFAPSA-N 467.591 4.012 50 50 JIGA O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O 1474752 HCWJJONTGZLPJS-DHRITJCHSA-N 479.949 4.241 50 50 JIGA Cc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C[C@@H]2C)C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 2420816 BMGGEFKEPILKEM-PWFNWSNSSA-N 453.498 4.106 50 50 JIGA COc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3cccc(C)c3)ccc3ccccc23)cc1 2542867 FQXVHWVHMQAJOM-KBVAKVRCSA-N 495.535 4.256 50 50 JIGA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2 229924501 YOESVLDFVRCLOS-IVNUZWTHSA-N 458.624 4.353 50 50 JIGA COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)cc(Br)c1O 1197479 KMCNCSQSXAYVSP-IFRROFPPSA-N 492.551 4.108 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1cc(O)cc(O)c1 13321703 XGJFQEVZTFCXOV-BHGWPJFGSA-N 459.271 4.342 50 50 JIGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4Cl)c32)cc(Br)c1O 16293181 AERLFIRDFUJRPQ-HNNXBMFYSA-N 473.714 4.425 50 50 JIGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCc2ccccc2)cc1 2552585 AORFVCSRAQIOCB-UVHMKAGCSA-N 456.329 4.453 50 50 JIGA CCOc1ccc(CC(=O)NNC(=S)Nc2ccc(Br)cc2Cl)cc1OCC 2853194 WXOQRJSJFKVQMG-UHFFFAOYSA-N 486.819 4.460 50 50 JIGA CCCc1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3cccc([N+](=O)[O-])c3C)c(OC)c1)C(C#N)=C(N)O2 16319985 HLELGNDGESNNHA-NRFANRHFSA-N 489.488 4.025 50 50 JIGA COc1ccc(CC(=O)Nc2ccc(/C(C)=N\NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 17136214 LOTCHWYSTYWEMT-PKAZHMFMSA-N 460.490 4.247 50 50 JIGA CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 4360075 NYIPLTKGXNUDKO-RDRPBHBLSA-N 497.555 4.426 50 50 JIGA CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccs4)ccc32)cc1 1857799506 HAEWGNBGGJAIGA-HXUWFJFHSA-N 456.570 4.456 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)ccc3C)cc2OC)cc1 2506294 CQSISUJFEWQZGK-JFLMPSFJSA-N 462.502 4.069 50 50 JIGA O=C(CCl)Oc1ccc(C2(c3ccc(OC(=O)CCl)cc3)OC(=O)c3ccccc32)cc1 4552011 NJEDBQQENGVZKP-UHFFFAOYSA-N 471.292 4.437 50 50 JIGA O=C(CCCCCCCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)N/N=C/c1cccc([N+](=O)[O-])c1 8756575 JKIGHVCIFRYFOO-RPCRKUJJSA-N 496.524 4.224 50 50 JIGA CCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 2543846 KPAFNGUIAKGMSX-JFLMPSFJSA-N 482.920 4.496 50 50 JIGA Cc1cc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)ccc1Cl 3136641 GHRYIZAUARKTKM-IFRROFPPSA-N 476.552 4.408 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 4302558 YTRCSHPOXNRQGJ-VULFUBBASA-N 451.910 4.325 50 50 JIGA Cn1cccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 1204547 ZFVHKUBHRTXPHZ-ZVHZXABRSA-N 450.955 4.169 50 50 JIGA Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2cccc(Br)c2)[nH]n1 4531442 KVIFMKWBPYNWMS-ZMOGYAJESA-N 463.339 4.406 50 50 JIGA O=C(N/N=C/c1ccncc1)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 20602327 HZYKHPFSSQRAPV-GUYKNXISSA-N 482.388 4.477 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 2518472 SADLPRDXTVNIQY-LGJNPRDNSA-N 486.311 4.310 50 50 JIGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1 2531392 UGUDTUMFBJYZJB-FDAWAROLSA-N 495.535 4.338 50 50 JIGA COc1ccc(OC)c(NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1 2852355 WQPRFCYRVPNXAS-UHFFFAOYSA-N 458.367 4.187 50 50 JIGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@]21C(=O)N(Cc2cccc(F)c2)c2ccccc21 12413809 QTWIEXUJLLRYHC-SANMLTNESA-N 489.528 4.292 50 50 JIGA COc1ccc(OCc2ccc(/C=C(\C#N)C(=O)NCCc3ccc(OC)c(OC)c3)o2)cc1 20249567 BLVQHGMVWMAZCC-XDJHFCHBSA-N 462.502 4.150 50 50 JIGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 22339025 QQFFQAOKJCKRAF-ZVBGSRNCSA-N 450.289 4.024 50 50 JIGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 2532150 RZOPTYHPNRIMOG-XODNFHPESA-N 484.339 4.401 50 50 JIGA CCOC(=O)c1ccc(NC(=S)NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 2855637 CSIZVQFFXMFTNL-KRWDZBQOSA-N 463.559 4.315 50 50 JIGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2)cc1 4229768 QMBPDAVZDANDFQ-FMQCWRLUSA-N 459.458 4.131 50 50 JIGA Cc1cccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)c1 2520160 MEGXQMFKNLAQEF-OGLMXYFKSA-N 451.482 4.456 50 50 JIGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2Br)cc1 2886623 AZDQHRGTZJGRGK-UHFFFAOYSA-N 482.762 4.071 50 50 JIGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 2518570 OTKKXYRIMVVAND-VULFUBBASA-N 451.910 4.325 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2Cl)sc2c1CC[C@H](C)C2 2520340 NPBAUKHVGPSWEE-QPDIMOPTSA-N 482.389 4.445 50 50 JIGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2I)cc1)c1ccccc1F 4259269 BOGWRFRFSGAHKH-ZMOGYAJESA-N 488.256 4.413 50 50 JIGA N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1cccc(OC(=O)c2cccs2)c1 8437182 QHWNSKCNTSXAOA-FQEVSTJZSA-N 484.493 4.304 50 50 JIGA CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3cccnc3)C3=C2CC(C)(C)CC3=O)s1 12401688 GWUIVZILOQHZNL-KRWDZBQOSA-N 452.609 4.374 50 50 JIGA O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 731184493 YTSYAKHQTUKVFK-IZZNHLLZSA-N 488.551 4.106 50 50 JIGA CC(C)c1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1 1086739 QULHZLHTYBMAFE-FOKLQQMPSA-N 470.327 4.489 50 50 JIGA O=C(N/N=C/c1ccc(Cl)cc1)c1nn(Cc2ccc([N+](=O)[O-])cc2)cc1Br 1086743 FACWNRIJHXHWJK-ZVBGSRNCSA-N 462.691 4.019 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(C)c3)n2-c2ccccc2)cc1 1474893 LPNAREGXLIUWLE-WGOQTCKBSA-N 457.559 4.494 50 50 JIGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)c1 2520261 DKPZYVJNCANTSX-LQKURTRISA-N 466.497 4.195 50 50 JIGA CCN(CC)CCCNC(=S)NNC(=O)c1cccc(COc2ccc(C(C)C)cc2)c1 20613891 RZSHIBLWHDCSFJ-UHFFFAOYSA-N 456.656 4.230 50 50 JIGA N#CC1=C(N)OC(c2ccccc2)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 2573726 OSDYTTFIBDCOND-OAQYLSRUSA-N 459.483 4.245 50 50 JIGA O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1 2585072 ZIUPIRQLFJKCMQ-ZVHZXABRSA-N 452.308 4.117 50 50 JIGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(COc2ccccc2Br)o1 2770011 AVYXKQVRLBKYMW-LJQANCHMSA-N 459.296 4.266 50 50 JIGA COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2)sc2c1CC[C@@H](C)C2 20568579 ODOBEFYAEOENCE-GFCCVEGCSA-N 481.640 4.050 50 50 JIGA COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1OC 668576 FSCYRZQIXSFMOY-JVWAILMASA-N 476.489 4.327 50 50 JIGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3C)cc2OC)cc1 2542491 OGGNUKSMZHXMRZ-JVWAILMASA-N 462.502 4.151 50 50 JIGA Cc1n[nH]c2c1[C@@H](c1cc(Br)ccc1OCc1ccccc1C#N)C(C#N)=C(N)O2 1140075 ZTQKNXXNMPYCPN-FQEVSTJZSA-N 462.307 4.149 50 50 JIGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2I)cc1)c1cccs1 4260485 HXOVQJGVUSIWRT-CIAFOILYSA-N 476.295 4.336 50 50 JIGA CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1 9332757 YMCULQYXIUWNNT-WOJBJXKFSA-N 456.951 4.410 50 50 JIGA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](I)CN2Cc1ccccc1 382675464 OFGOHCZHVVIBJM-QGZVFWFLSA-N 456.368 4.466 50 50 JIGA CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(C)c3)cc2)cc1 4259779 IFALFUONPJRMSY-MTDXEUNCSA-N 473.529 4.482 50 50 JIGA N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 2835142 DISFIMUWXNAWRX-IBGZPJMESA-N 458.499 4.459 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1 3112254 FHNNFFDDRWNHQI-ZVHZXABRSA-N 453.292 4.441 50 50 JIGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 4210378 QKWFXRYLIHKLLG-JVWAILMASA-N 493.552 4.147 50 50 JIGA Cc1cc(-c2nn(-c3ccccc3)c3c2[C@H](c2c(F)c(F)c(F)c(F)c2F)C(C#N)=C(N)O3)n(C)n1 2790262 KDLIAXSGXSNMDE-AWEZNQCLSA-N 498.415 4.495 50 50 JIGA COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)C(C(=O)Nc2ccccc2OC)=C(C)N1 9375352 ZBPWYUUWXGQFNR-JOCHJYFZSA-N 467.522 4.075 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc(OC)c1OC(C)=O 945766 UGVGIHOMEUIMKO-CCVNUDIWSA-N 484.512 4.035 50 50 JIGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)cc1 2532002 LCZXNOCQKWSHPX-OCSSWDANSA-N 465.509 4.248 50 50 JIGA COc1cc(OC)c(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1Br 2969769 ZNNAPXLDXYLVGN-FOKLQQMPSA-N 482.762 4.297 50 50 JIGA N#CC1=C(N)N(c2cccc(Cl)c2)C2=C(C(=O)OC2)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 12376437 XGISTXLGTLQUFZ-NDEPHWFRSA-N 494.938 4.150 50 50 JIGA biogenic COc1cc(Br)c(Br)c(/C=N\NC(=O)c2ccccc2Cl)c1O 22170922 JWWWXPNQHKBXHL-GXHLCREISA-N 462.525 4.343 50 50 JIGA CSCC[C@H]1NC(=O)c2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc2NC1=O 206254465 OXEKXDHTHXACQZ-RHSMWYFYSA-N 453.655 4.143 50 50 JIGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2C)ccc1OCc1ccccc1 945926 JXDRLOYDJMOQIU-CVKSISIWSA-N 460.559 4.403 50 50 JIGA COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 1293611 GSXVBXNWBRWKTM-WGOQTCKBSA-N 457.559 4.494 50 50 JIGA Cc1sc([C@H]2C(C#N)=C(N)N(c3cccnc3Cl)C3=C2C(=O)CCC3)cc1CN1CCOCC1 12372404 PUCWEYCQEDCJEL-JOCHJYFZSA-N 496.036 4.242 50 50 JIGA COc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccccc1Cl 1457538 UBYNXATVYODBDQ-MZJWZYIUSA-N 498.919 4.358 50 50 JIGA COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)ccc1O 1474960 XNDXEEDSAJCBED-CVKSISIWSA-N 473.558 4.199 50 50 JIGA COc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 2900078 PEPVDUUKXWIQQX-OVVQPSECSA-N 473.554 4.194 50 50 JIGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 4258527 LSFNVZXEVDQRAO-BRJLIKDPSA-N 481.302 4.469 50 50 JIGA N#CC1=C(N)N(c2ncn[nH]2)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Br)cc1 690832 FEVPCTUPMIVSQI-HRAATJIYSA-N 487.361 4.266 50 50 JIGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cn3)C3=C2C(=O)CCC3)cc1OC 993810 YJDKHGXBTYPFCG-NRFANRHFSA-N 481.350 4.166 50 50 JIGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1OC 2584826 VLPQKJCACZOTCQ-VULFUBBASA-N 468.893 4.106 50 50 JIGA CCOc1cc2c3c(c1)[C@]1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 2433787 YGPAMXVWSFGJPU-MHZLTWQESA-N 459.546 4.232 50 50 JIGA CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cc3ccccc3nc2Cl)sc2c1CC[C@H](C)C2 2520213 VOYPNWBSDZJOCN-UQJRAWQTSA-N 498.992 4.340 50 50 JIGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2531169 UNJVKESQRBUVQP-UVHMKAGCSA-N 456.329 4.453 50 50 JIGA O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1cc(O)cc(O)c1 13321738 KHOMRRLYWOUTEQ-BHGWPJFGSA-N 459.271 4.342 50 50 JIGA