smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCn1c(=O)c(C(=O)N/N=C/c2ccccn2)c(O)c2ccccc21 101123474 NDFMTVQAAIMYTK-RGVLZGJSSA-N 336.351 1.886 50 50 EDGA Cc1nn(C)cc1NC(=S)NNC(=O)COc1ccc(F)cc1 2798620 KTYWPIPPGUKAQS-UHFFFAOYSA-N 337.380 1.264 50 50 EDGA COc1ccc(C=NNC(=O)Cn2nnc3ccccc32)c(OC)c1 252320690 LIRDYQOMTCSPED-UHFFFAOYSA-N 339.355 1.599 50 50 EDGA C[C@H](Cl)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@@]2(c2ccccc2)C1 1875368554 AACWYGYZYRZPAC-NJZAAPMLSA-N 327.833 1.439 50 50 EDGA O=C(CCl)NCc1ccc(S(=O)(=O)N2CCCCC2)s1 1875364926 YFTGRXFJUCBPGM-UHFFFAOYSA-N 336.866 1.778 50 50 EDGA COc1ccc(NCC(=O)N/N=C/c2ccc(OC)c(O)c2)cc1 584034 AUAKAEVTHFOBLT-VXLYETTFSA-N 329.356 1.972 50 50 EDGA C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(CC)c32)c2ccccc21 4163651 FCEQDJBGBNTLTD-IBGZPJMESA-N 347.378 1.877 50 50 EDGA C[C@@H]1[C@H](Br)[C@H](Br)C[C@@H](C(=O)O)[C@@H]1C(=O)O 101193951 ZLBZDHSWWOYOSK-CJZRUXIPSA-N 343.999 1.955 50 50 EDGA COC(=O)Cn1c(=N)n(C[C@@H](C)Br)c2ccccc21 334160782 QDTKGCWMXSFTRF-SECBINFHSA-N 326.194 1.879 50 50 EDGA COc1ccc(-n2cc(CN3CCN(C(=O)CCl)CC3)nn2)cc1 1875387214 UQIVMWNDHWBRQQ-UHFFFAOYSA-N 349.822 1.159 50 50 EDGA Cc1ccc(F)c(CN(CCNC(=O)N(C)C)C(=O)CCl)c1 1875382032 OCSKKLTUYQLCRZ-UHFFFAOYSA-N 329.803 1.973 50 50 EDGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccc2c(c1)OCO2 1922246 SOHWMCVVWWZQRK-DNTJNYDQSA-N 343.314 1.435 50 50 EDGA N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC[C@H]1CCCO1 247473 JLNNUDJPLDUYQM-NRMKIYEFSA-N 331.372 1.318 50 50 EDGA O=C(CCl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 61817 JATUYMAYNXBPFB-UHFFFAOYSA-N 326.765 1.455 50 50 EDGA in-vitro CCOc1cccc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 138546230 NZXPDTQRUPAFTC-UOVKNHIHSA-N 346.383 1.593 50 50 EDGA CC(C)=CC(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 496317212 AGCJMRQDISCWFN-GFCCVEGCSA-N 325.409 1.747 50 50 EDGA COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 3127371 VIMYGPZTNQHOKU-VCHYOVAHSA-N 328.324 1.923 50 50 EDGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)ccc1O 2894520 VZWOFQFPPGTUIA-AWQFTUOYSA-N 345.330 1.420 50 50 EDGA O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 2806713 WMFQOHZUSNKRRT-UHFFFAOYSA-N 344.283 1.507 50 50 EDGA Cc1ccc2c(c1)/C(=N/NC(=O)[C@H]1COc3ccccc3O1)C(=O)N2 6556932 YKAJWQWDAVSIEY-OAHLLOKOSA-N 337.335 1.607 50 50 EDGA N#C/C(=C\c1ccc(OCC(N)=O)cc1)S(=O)(=O)c1ccccc1 611630 VAWGXSMAUXXSHW-MHWRWJLKSA-N 342.376 1.889 50 50 EDGA CC(C)(C)OC(=O)N1CCC(OCc2ccc(B(O)O)cc2)CC1 203783480 QRAJJKKTWHWNET-UHFFFAOYSA-N 335.209 1.283 50 50 EDGA Cc1nn(C)c(NNC(=O)c2cnn(C)c2-c2ccccc2)c1C#N 1875349963 UUZUQGGLUBSVNB-UHFFFAOYSA-N 335.371 1.758 50 50 EDGA O=C(O)[C@H]1C[C@H](S(=O)(=O)c2ccccc2)[C@@H](Cl)C[C@H]1C(=O)O 6668770 NMWKXOFBFYQBTR-RHYQMDGZSA-N 346.788 1.632 50 50 EDGA O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 118207 DALBIHHOVYXEOR-UHFFFAOYSA-N 339.304 1.357 50 50 EDGA O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccccc1 13629202 XOSPPUVMMDHAJX-GFCCVEGCSA-N 342.355 1.481 50 50 EDGA C[C@@H](Cl)C(=O)Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 1857784252 ZLCPANNYLITKHC-PELKAZGASA-N 349.774 1.013 50 50 EDGA O=C(COc1ccc(Br)cc1)NNC(=O)c1ccco1 63751 BVTNCPPWINANSD-UHFFFAOYSA-N 339.145 1.882 50 50 EDGA Cc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 5884155 XTOZRHYMXMWAIT-LICLKQGHSA-N 326.312 1.992 50 50 EDGA CCO/C=C(\C#N)C(=O)N1CCC(n2cc(C(=O)OCC)cn2)CC1 296325213 ZIWXICCCASTLAR-OUKQBFOZSA-N 346.387 1.667 50 50 EDGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1 192739 QSOXOFDZBDYZMK-ZUZCKIMGSA-N 327.296 1.885 50 50 EDGA C[C@@H](NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 2900523 OGHBJSMALWFTLY-MBNTZHJCSA-N 340.339 1.922 50 50 EDGA COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(F)cc1 2553015 HXMDKYVCRKMDQU-KEBDBYFISA-N 329.331 1.714 50 50 EDGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 2571808 YHFNJKXLWXAODZ-GIJQJNRQSA-N 341.323 1.513 50 50 EDGA CC(=O)Nc1cccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1 137203630 CVDLBHQJGLHPEA-UHFFFAOYSA-N 337.339 1.638 50 50 EDGA O=C(CN1C[C@H]2[C@H](Br)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] 886785363 PUDXVZCETFYCMG-WOFXILAISA-N 340.177 1.858 50 50 EDGA COc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1 5729794 FHOCJMGYINJIIS-UHFFFAOYSA-N 325.324 1.547 50 50 EDGA CCOc1cccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 239174041 PELCXBGISVDAOO-LWWSYDQCSA-N 344.367 1.369 50 50 EDGA O=C(CCc1ccccn1)NNC(=S)NCCc1cccs1 191919949 ZPDMDFDNQKESOQ-UHFFFAOYSA-N 334.470 1.814 50 50 EDGA C[C@H](Cl)C(=O)Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 1857784255 ZLCPANNYLITKHC-UFBFGSQYSA-N 349.774 1.013 50 50 EDGA COc1cccc(COc2c(Br)cccc2B(O)O)c1 169877220 JNPYQBOHAURAQI-UHFFFAOYSA-N 336.978 1.717 50 50 EDGA O=C(NNC(=O)C1(c2ncccc2F)CCOCC1)c1ccccn1 2325805048 LDNAVOZDYQBALW-UHFFFAOYSA-N 344.346 1.125 50 50 EDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(C)s2)C1 13320790 KTVYEMYNSZKCTK-KMHUVPDISA-N 343.474 1.568 50 50 EDGA C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)c2c(C)n[nH]c21 5818129 CGAVKXVCFBUFPW-SFHVURJKSA-N 333.351 1.623 50 50 EDGA COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@@H](C)Cl)c1 1875364274 KGPFHEVHPKHFJF-SECBINFHSA-N 339.783 1.265 50 50 EDGA COc1ccc(C(=O)NNC(=S)NCc2ccco2)cc1OC 432449 CHWGLBWECFEZOP-UHFFFAOYSA-N 335.385 1.606 50 50 EDGA COc1ccc(C)cc1NC(=O)NNC(=O)[C@H](O)c1ccccc1 17067446 BBEULSKBNCWOKC-OAHLLOKOSA-N 329.356 1.890 50 50 EDGA O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccs1 2278207 IAOCNNYYXOSTJF-GIJQJNRQSA-N 345.380 1.399 50 50 EDGA Cc1cc(OCC(=O)NNC(=O)/C=C/C(=O)O)cc(C)c1Cl 2789269 HITPWELQKHIDAQ-ONEGZZNKSA-N 326.736 1.124 50 50 EDGA COc1cccc(C(=O)NNC(=O)c2ccc(OC)cc2OC)c1 289971 GCCMCZYZRQBAMF-UHFFFAOYSA-N 330.340 1.787 50 50 EDGA O=C(NNC(=S)NC[C@H]1CCCO1)c1ccccc1-n1cccc1 2793121 YHSMOUDPIOPMLE-CYBMUJFWSA-N 344.440 1.765 50 50 EDGA O=C(NNc1ccc(Cl)nn1)Nc1ncn(Cc2ccccc2)n1 769984666 WELQJKRDHFDMMI-UHFFFAOYSA-N 344.766 1.918 50 50 EDGA COc1ccccc1C(=O)NNC(=O)[C@@H]1c2c[nH]nc2CC[C@@H]1C 878789988 LAAPPJKDFNZIPA-BONVTDFDSA-N 328.372 1.545 50 50 EDGA C[C@@]1(C(=O)NNC(=S)NC[C@@H]2CCCO2)CC1(Cl)Cl 2853461 ZUIZJYQOZTUDAN-XVKPBYJWSA-N 326.249 1.245 50 50 EDGA CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 4210349 NHAJMYGBGDFSOP-YBFXNURJSA-N 328.347 1.981 50 50 EDGA O=C(NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)Nc1ccccc1 1394666 LCLQIVLPHBMINC-AWEZNQCLSA-N 325.328 1.428 50 50 EDGA Cc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)s1 239302617 FMGGDYRUMRBWMI-XRRVDJEJSA-N 334.397 1.731 50 50 EDGA O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)c1ccc(Cl)cc1 245242129 BHCZTRRIGBVUJF-QLDMKTHXSA-N 334.759 1.299 50 50 EDGA Cc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 102322 DSACEEKWXIKKRZ-UHFFFAOYSA-N 335.341 1.527 50 50 EDGA O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1cccs1 2895243 SHJSOPNXDCAQIL-PVJNQWLSSA-N 345.380 1.154 50 50 EDGA O=C(O[C@@H]1C(=O)OC(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 100077609 OXIKRMSPXYQFOT-OKILXGFUSA-N 340.287 1.521 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 4231405 ZSDKUNSLNDGNEM-XDHOZWIPSA-N 340.383 1.850 50 50 EDGA COc1ccc(CC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 299040 NXVKLTVSFHNSQJ-UHFFFAOYSA-N 329.312 1.607 50 50 EDGA Cc1nn(C)c(NNC(=O)C(=O)Nc2cccc(C(C)C)c2)c1C#N 1875349815 NYXHFAZEJMIXGR-UHFFFAOYSA-N 340.387 1.805 50 50 EDGA COc1cc(/C=N/NC(=O)Cc2cccn2C)cc(OC)c1OC 230820 OKMHWWYTOUOGAL-WOJGMQOQSA-N 331.372 1.744 50 50 EDGA O=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/c1cccc(O)c1 2172860 VSHLFIRSACPYDJ-DJKKODMXSA-N 330.319 1.803 50 50 EDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccncc2)cc1 4354972 BTBHPJLPFHIXQZ-RGVLZGJSSA-N 326.356 1.360 50 50 EDGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccncc2)cc1 1881524 OSQZACRYQHMTRU-RGVLZGJSSA-N 325.372 1.028 50 50 EDGA CC1(C)[C@@H](C(=O)NNC(=O)COc2ccccc2)CC[C@@]1(C)C(=O)O 22204596 KSZPFDMBFXXJIX-ACJLOTCBSA-N 348.399 1.740 50 50 EDGA C[C@@H](Cl)C(=O)N1CCOC[C@H]1c1ncnn1Cc1ccccc1 1875380311 LJEZZWXOJVWKOK-OCCSQVGLSA-N 334.807 1.854 50 50 EDGA O=C(/C=C/C(=O)OCCOCCCl)OCCOCCCl 5178815 PEXGHQNEVIAVCQ-OWOJBTEDSA-N 329.176 1.140 50 50 EDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 225586041 AVKVTROIMBJUTG-LWWSYDQCSA-N 348.786 1.553 50 50 EDGA COc1ccccc1O[C@@H](C)C(=O)NNC(=S)NC1CCCC1 13497549 XSPYNNJNFPDODT-NSHDSACASA-N 337.445 1.900 50 50 EDGA O=C(NNC(=O)c1c(O)[nH]c2ccccc2c1=O)c1ccccc1F 17029317 LXTRLCMPSOSQSJ-UHFFFAOYSA-N 341.298 1.448 50 50 EDGA C/C(=N/NC(=O)CNC(=O)c1ccc2c(c1)OCO2)c1ccccc1 12342856 RUJGYYQKNWCHTD-NDENLUEZSA-N 339.351 1.686 50 50 EDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1c(Cl)cccc1Cl 100567825 OOYTXODLCLXNRC-IYRRMDOYSA-N 327.171 1.956 50 50 EDGA COc1cccc(/C=N/NC(=O)C(=O)N2CCCCCC2)c1OC 2313580 DFNMZQMNIUNZMF-LDADJPATSA-N 333.388 1.557 50 50 EDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(C)cc2)cc1 2532856 WHQOQJOFQJWZBO-RGVLZGJSSA-N 325.368 1.884 50 50 EDGA CCCCCCC(=O)NNC(=O)CC(=O)Nc1ccccc1C(=O)O 4600391 ZSKCZKKIMBYNLL-UHFFFAOYSA-N 349.387 1.831 50 50 EDGA Cn1nccc1C(=O)NNC(=S)Nc1ccc(F)c(Cl)c1 2794479 ICLJYBMTFAWQEW-UHFFFAOYSA-N 327.772 1.844 50 50 EDGA COc1ccc2ccccc2c1/C=N/NC(=O)Cc1nnc(N)s1 438111 PEWRGMIQNXHNGM-GIJQJNRQSA-N 341.396 1.975 50 50 EDGA COC(=O)c1ccccc1OC/C(N)=N/NC(=O)c1ccccc1 5210007 KRGCUSQECALNGN-UHFFFAOYSA-N 327.340 1.554 50 50 EDGA O=C(Nc1ccccc1Br)c1cc(B(O)O)ccc1F 169744223 KBRAACXRIVRFFN-UHFFFAOYSA-N 337.941 1.520 50 50 EDGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(O)cc1 2675662 QCWYYJAQOSOUQP-DJKKODMXSA-N 331.759 1.926 50 50 EDGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@H]2O)[C@@]2(CCCO2)[C@H]1O3 257355642 BUVOCDLIEPMCIL-RRRHHHQLSA-N 344.480 1.767 50 50 EDGA Nc1c(Br)c(=O)nc2n1C[C@@H](CBr)S2 4721396 KULIVPMMDCFWOX-GSVOUGTGSA-N 341.028 1.457 50 50 EDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccc1 20064563 GKTAHEIFHHAQAK-RCCKNPSSSA-N 336.439 1.955 50 50 EDGA CC(=O)Nc1ccccc1CC(=O)NNC(=O)c1ccccc1F 253428388 AKDZDJXPQSWQJO-UHFFFAOYSA-N 329.331 1.788 50 50 EDGA C/C(=C\C(C)=C(/C#N)C(=O)O)NCN1C(=O)c2ccccc2C1=O 15108629 SHXODJATFBMBOT-MYUCQOFCSA-N 325.324 1.658 50 50 EDGA O=C(CN1CCSCC1)N/N=C/c1cccc(Br)c1 4990354 IIGZIFCZSVJBSP-OQLLNIDSSA-N 342.262 1.948 50 50 EDGA Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H](C)Cl)CC1 1875363718 UVRQONMSBSVUBL-SECBINFHSA-N 349.840 1.142 50 50 EDGA Cc1scc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1C 225584233 AJXALPZZKVFHDX-KKOKHZNYSA-N 338.385 1.004 50 50 EDGA O=C(CNC(=O)c1ccccc1)N/N=C/c1c[nH]nc1-c1ccccc1 9122085 CCKFTUAGEUQOEG-SRZZPIQSSA-N 347.378 1.957 50 50 EDGA O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1cccc([N+](=O)[O-])c1 2098549 CJGXWPMKWFEHID-LZYBPNLTSA-N 344.283 1.095 50 50 EDGA COc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c(OC)c1OC 19848761 HHTYXPROEQKIEO-UHFFFAOYSA-N 344.396 1.931 50 50 EDGA O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=S)NCc1ccco1 610591 QBLYOYAKCSYWPQ-UHFFFAOYSA-N 334.357 1.426 50 50 EDGA C[C@H](Cl)C(=O)N[C@H](C(=O)N1CCC[C@@H](C)C1)c1cnn(C)c1 1875378266 YLVRYZORWNMYCM-MDZLAQPJSA-N 326.828 1.463 50 50 EDGA CN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 102807234 VLMYXNFAXAIEER-YGMPWRRSSA-N 337.335 1.323 50 50 EDGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1O 2571766 HPLZJFJMPMLCHN-VCHYOVAHSA-N 327.340 1.798 50 50 EDGA C[C@@H](Cl)C(=O)N[C@@]1(c2ccc(S(C)(=O)=O)cc2)CCOC1 1875366459 LCVRCMYKJRSKKE-YGRLFVJLSA-N 331.821 1.449 50 50 EDGA CC(=O)O[C@@H]1CC[C@@H]2[C@H](OC(C)=O)CC[C@H]1N2C(=O)[C@@H](F)Cl 2325898766 ZCNBNVVEAPQFFZ-SYLRKERUSA-N 335.759 1.538 50 50 EDGA CN(C)Cc1cccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)c1 137174554 KDRIUSWITSYUBU-UHFFFAOYSA-N 337.383 1.742 50 50 EDGA C[C@@H](Oc1cccc(F)c1F)C(=O)N1CCN(C(=O)CCl)CC1 1875364614 YSIHGFLCYFCQHK-SNVBAGLBSA-N 346.761 1.642 50 50 EDGA O=C(CCc1ccccc1)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 101161404 KNRZWFJGZNCKID-SDADXPQNSA-N 328.368 1.290 50 50 EDGA O=C(CCNC(=O)c1ccccc1)NNc1ncnc2ccccc12 1775971069 NGIQBLOJESQGEU-UHFFFAOYSA-N 335.367 1.893 50 50 EDGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)c1cccnc1 5041279 PUQCUGIXVJESQY-UHFFFAOYSA-N 347.356 1.630 50 50 EDGA CC1CCN(C(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)CC1 239229110 USNKYMWYXVOHGL-DZDPUUJWSA-N 342.233 1.816 50 50 EDGA Cn1cc(-n2cc(C(=O)N3CCSSCC3)ccc2=O)cn1 888093159 ASBIVCUEXTXSRS-UHFFFAOYSA-N 336.442 1.408 50 50 EDGA CC1(C)C[C@H](NC(=O)CI)C(C)(C)N1[O] 100406619 OQIGMSGDHDTSFA-ZETCQYMHSA-N 325.170 1.515 50 50 EDGA N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 17071649 MHRHXOFNYLOFBQ-XFXZXTDPSA-N 343.364 1.585 50 50 EDGA O=C(CCCC[C@@H]1CCSS1)NCCOCCOCCO 230493723 VTTNIUWBGVLVEK-CYBMUJFWSA-N 337.507 1.842 50 50 EDGA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(B(O)O)c(Cl)c1 169744539 BBKOIWDLMOKXFL-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA C=CCc1cccc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)c1O 100557118 IQBMKLIQDQYPIZ-XKYMITNMSA-N 328.372 1.473 50 50 EDGA NNc1ccc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)cc1[N+](=O)[O-] 4774418 VFELYULRRROVBS-SSDOTTSWSA-N 333.675 1.781 50 50 EDGA COCCNC(=S)NNC(=O)Cc1c(Cl)cccc1Cl 2851014 USQFNCUPGHANPZ-UHFFFAOYSA-N 336.244 1.678 50 50 EDGA Cc1ccc(S(=O)(=O)CC(=O)NNC(=O)Nc2ccccc2)cc1 2582177 PLNPGGRIALYWPA-UHFFFAOYSA-N 347.396 1.622 50 50 EDGA Cc1ccsc1/C=N/NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 17067564 NGLCGAGTDLLQDA-GYBQTFJISA-N 329.447 1.178 50 50 EDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)c1 4302572 GNHPRNGUESZXIB-KEBDBYFISA-N 329.331 1.714 50 50 EDGA CC(=O)N[C@@H](CC(C)C)C(=O)NCCSSCCC(=O)O 2325819214 PQGUBCVDICYEQK-NSHDSACASA-N 336.479 1.510 50 50 EDGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1cccc(Br)c1 100562786 SHFSIKCFZCLTIL-LBMJDHPKSA-N 337.177 1.411 50 50 EDGA COc1ccc(C(F)(F)C(=O)NNc2c(C#N)c(C)nn2C)cc1 1875344329 CJCODMYDTGUXFI-UHFFFAOYSA-N 335.314 1.844 50 50 EDGA COc1cccc(Cl)c1CC(=O)NNc1c(C#N)c(C)nn1C 1875345404 ZJZJCXJWXBCIGJ-UHFFFAOYSA-N 333.779 1.948 50 50 EDGA Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCl)CC2)cc1 1875365062 HUWSBYFJZNFUCU-UHFFFAOYSA-N 330.837 1.503 50 50 EDGA COc1ccc(C(=O)NNC(=O)c2ccccc2OC)cc1OC 289973 OUYXKCJCBWMVOB-UHFFFAOYSA-N 330.340 1.787 50 50 EDGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)[C@H]1COc2ccccc2O1 1922827 AUKIOJCFYGWINJ-LJZSXMKHSA-N 343.295 1.591 50 50 EDGA CC(=O)Nc1ccc(/C(=N/NC(=O)c2ccncc2)C(=O)O)cc1 6614538 JHCOALKSULANMC-RGEXLXHISA-N 326.312 1.259 50 50 EDGA C[C@]1(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)CC1(Cl)Cl 239259348 ZBSQHCMLPOZMBH-MHHWUYOGSA-N 347.198 1.241 50 50 EDGA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]2(CO)CNC(=O)CCl 1875376318 SFSMHRPKWNGXIB-MRXNPFEDSA-N 346.855 1.741 50 50 EDGA Cc1scc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1C 239331287 KKPULQRIIHFBBH-YRRQLQLVSA-N 334.397 1.649 50 50 EDGA Cc1ccc([N+](=O)[O-])cc1NC(=O)NNc1c(C#N)c(C)nn1C 1875349687 IUOXJQOPIYGRSQ-UHFFFAOYSA-N 329.320 1.965 50 50 EDGA CCOC(=O)NC(=O)/C(C#N)=C/N1CCN(Cc2ccccc2)CC1 20218705 YOBSNWSPHYUXDR-JQIJEIRASA-N 342.399 1.484 50 50 EDGA O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1ccccc1Cl 2530403 KPOAOOIANYJNMB-CAOOACKPSA-N 333.731 1.840 50 50 EDGA O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 838524489 MPVOIZYFKDBSMA-ARFHVFGLSA-N 337.383 1.568 50 50 EDGA O=C(N/N=C/c1ccco1)c1[nH]ncc1I 22017025 AJMLEDBYLVBTKR-NYYWCZLTSA-N 330.085 1.371 50 50 EDGA COc1cccc(C=NNC(=O)Cn2nnc3ccccc32)c1OC 252394568 TYGHDLWAAPUCFN-UHFFFAOYSA-N 339.355 1.599 50 50 EDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)C1[C@@H]2CCCC[C@@H]12 100043960 VAFFZMJSLBXIPT-NXEZZACHSA-N 328.328 1.803 50 50 EDGA CC(=O)Nc1ccc(C(=O)NNc2nc3ccccc3c(=O)[nH]2)cc1 137167332 BYHWOAPDWXJANA-UHFFFAOYSA-N 337.339 1.638 50 50 EDGA O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)N/N=C/c1ccccn1 2099916 DEMQDOAPRUHRJO-WOJGMQOQSA-N 341.327 1.859 50 50 EDGA O=C(Nc1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)c(B(O)O)c1 169744348 XRVHUHAJXXHBAJ-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA O=C(N[C@@H](Cc1coc2ccccc12)B(O)O)[C@@H]1C[C@H]2CC[C@@H]1O2 1772768774 RFQDLTYXNINJON-OYNZBZHQSA-N 329.161 1.040 50 50 EDGA Cc1cc(CC(=O)NNC(=O)c2ncsc2C(F)(F)F)n[nH]1 869017041 XLFQINDHNPGDGY-UHFFFAOYSA-N 333.295 1.197 50 50 EDGA COC(=O)c1cccc(OC(=O)NC(=O)CCBr)c1 2854393 OMWRSZWJOUWLDN-UHFFFAOYSA-N 330.134 1.873 50 50 EDGA C[C@H](Cl)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 1875364892 XJDMLBPNXDUOAD-MNOVXSKESA-N 337.807 1.836 50 50 EDGA CCc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cs1 239339266 LXNODHIEMFXRQV-RBJBARPLSA-N 334.397 1.594 50 50 EDGA NC(=S)NNC(=O)COc1cc(Cl)c(Cl)cc1Cl 1709776 OGGOJPULUQREEI-UHFFFAOYSA-N 328.608 1.890 50 50 EDGA C[C@H](Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 5985541 PVXINQLIXXVNKB-VIFPVBQESA-N 340.792 1.843 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2O)cc1 2553723 JGZDFYUFHLIRLR-VCHYOVAHSA-N 343.339 1.498 50 50 EDGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)[C@@H]1COc2ccccc2O1 1922824 AUKIOJCFYGWINJ-IWAJPKQASA-N 343.295 1.591 50 50 EDGA O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(C(=O)O)cc1 5569267 VUEXJTBQAUPPKR-WOJGMQOQSA-N 331.372 1.674 50 50 EDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1c(O)ccc2ccccc12 100557083 QMMIGIMWOGZCDF-BUESGFEBSA-N 338.367 1.898 50 50 EDGA O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21)c1cccnc1 33896437 NTDDRBMRBCCPIW-FXBPSFAMSA-N 349.394 1.616 50 50 EDGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccccc1Br 100621776 PLJIYGWZWABCTG-MIJYTDESSA-N 337.177 1.411 50 50 EDGA O=S1(=O)[C@H]2CCN1C[C@H](Br)[C@H](Br)C2 257358884 WYWMLKGKCPVNFT-XVMARJQXSA-N 333.045 1.321 50 50 EDGA COc1cccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1O 368036 ILMUIWNPTQJSEJ-RQZCQDPDSA-N 345.311 1.838 50 50 EDGA COC(=O)N1CCC[C@H](C(=O)N/N=c2/sc3ccccc3n2C)C1 170621560 SLSKXFBNKDETMZ-IRPICPOESA-N 348.428 1.650 50 50 EDGA O=C(CCl)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1875370188 FIJYKTPWJRIHGX-RITPCOANSA-N 340.651 1.826 50 50 EDGA CCc1[nH]nc2c1[C@]1(C(=O)Nc3ccc(Cl)cc31)C(C#N)=C(N)O2 5130058 WMUIXOVZLPDSLZ-MRXNPFEDSA-N 341.758 1.950 50 50 EDGA CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@H](C)Cl 1875363562 JPBPXTPMWDHJAU-JTQLQIEISA-N 326.780 1.872 50 50 EDGA Cc1csc(CNc2cccc(C(=O)NNC(=O)C(C)(C)O)c2)n1 1262210187 OPGITXBSCYKXLR-UHFFFAOYSA-N 348.428 1.596 50 50 EDGA Cc1nn(C)c(C(=O)NNC(=S)NCc2ccco2)c1Cl 8829104 XYQASVCWUZSMSK-UHFFFAOYSA-N 327.797 1.284 50 50 EDGA NNC(=O)CN[C@H](c1ccccc1)c1cc(Br)ccc1N 55129589 BWSIVMVSKXLDLT-OAHLLOKOSA-N 349.232 1.700 50 50 EDGA O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)[C@H]1COc2ccccc2O1 250538138 RRTKYDGCZQQLJE-WFGGJUAMSA-N 330.384 1.800 50 50 EDGA O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(Cl)cc1 245242131 BHCZTRRIGBVUJF-YHALQVAKSA-N 334.759 1.299 50 50 EDGA COc1ccccc1C(=O)NNC(=S)NC(=O)c1cccs1 1926539 ZRSWLZKUIFDLKB-UHFFFAOYSA-N 335.410 1.706 50 50 EDGA C=CCOc1cccc(/C=N/NC(=O)C(=O)NCc2cccnc2)c1 2898432 ZQHZUZSGJYFWNJ-FYJGNVAPSA-N 338.367 1.413 50 50 EDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)[C@H](O)c1ccccc1 4889402 OZLAQIGGSLZIIT-CQSZACIVSA-N 340.295 1.101 50 50 EDGA COC(=O)Cn1c(=N)n(C[C@H](C)Br)c2ccccc21 334160783 QDTKGCWMXSFTRF-VIFPVBQESA-N 326.194 1.879 50 50 EDGA O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)Nc1cccc(F)c1 1398962 CTAJHYUUWQOTHA-CQSZACIVSA-N 343.318 1.567 50 50 EDGA COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)[C@H](F)Cl 2325880236 ZOPQRHMXZFAZQD-FZMZJTMJSA-N 327.743 1.619 50 50 EDGA C=CCNC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 2582204 ZSMLIFVTEQAZMR-UHFFFAOYSA-N 325.390 1.007 50 50 EDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1snnc1C 5792572 WKBZIBKKEHSRIJ-VIZOYTHASA-N 336.373 1.636 50 50 EDGA O=C(N=c1cc[nH]cc1)NNC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 838524490 MPVOIZYFKDBSMA-BZUAXINKSA-N 337.383 1.568 50 50 EDGA O=C(NNS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 304177 KKDFQFPUXUGOPZ-UHFFFAOYSA-N 335.341 1.359 50 50 EDGA COc1nn([C@H](C)C(=O)N/N=C/c2ccc(O)cc2)cc1[N+](=O)[O-] 370911 KVBDRXGQULEDPN-NEFPKRPYSA-N 333.304 1.217 50 50 EDGA O=C(O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 4283370 HIKKSONISCMHFR-VCHYOVAHSA-N 341.323 1.239 50 50 EDGA Cn1nc(CNC(=O)CCl)c2c1CCN(C(=O)OC(C)(C)C)C2 1875376289 RGVRIAIQGPQGLN-UHFFFAOYSA-N 342.827 1.568 50 50 EDGA COCc1[nH]nc2c1C1(CCC3(CC1)OCCO3)C(C#N)=C(N)O2 6529415 OBLUJVZNLDVEQM-UHFFFAOYSA-N 332.360 1.197 50 50 EDGA Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](O)C2)c(C)n1C[C@@H]1CCCO1 267896317 WNIUKXLNVKSFQJ-NZNBCCPUSA-N 343.427 1.784 50 50 EDGA COc1cc(C=C(C#N)C(N)=S)ccc1OCCN1CCOCC1 1857795444 HZZWZWUZHVJRAV-UHFFFAOYSA-N 347.440 1.599 50 50 EDGA CS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/C=C/c2ccco2)C1 17066607 KTUMZXPNOUOOPN-OOZUGQFZSA-N 325.390 1.066 50 50 EDGA CNC(=S)NNC(=O)[C@@H](C)Oc1ccc(Br)cc1 6524307 FKXLTPRCUQNLQF-SSDOTTSWSA-N 332.223 1.342 50 50 EDGA COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN)c(OC)c1 15724345 FOEBKWHRTJNOQL-GDNBJRDFSA-N 341.367 1.465 50 50 EDGA C#CCSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1cccnc1 4594175 ISCIEXGQHZZFNE-LLVKDONJSA-N 336.380 1.397 50 50 EDGA Cc1ccccc1C(=O)NNC(=O)CN1C(=O)c2ccccc2C1=O 146472 FHJCHFFYKOSHCA-UHFFFAOYSA-N 337.335 1.052 50 50 EDGA O=C(CCCl)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 2744075 PDJBCKARQXCUCH-SNVBAGLBSA-N 334.781 1.608 50 50 EDGA CC(C)(C)OC(=O)N1CCN(c2ccc(B(O)O)cc2Cl)CC1 216699891 VUEHZDXURFDQDT-UHFFFAOYSA-N 340.616 1.077 50 50 EDGA COc1ccccc1C(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 96310134 MRTXLPOVSUPJNV-UHFFFAOYSA-N 340.295 1.690 50 50 EDGA Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H]3CC[C@@]2(c2ccnn2C)C3)o1 2325771300 ZKKVMERXSPMYSK-WHCBVINPSA-N 328.372 1.450 50 50 EDGA COc1cc(OC)cc(C(=O)NNC(=O)c2ccccc2OC)c1 289974 JDXBRGURLZWODZ-UHFFFAOYSA-N 330.340 1.787 50 50 EDGA COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc(C)cc2)C(C#N)=C(N)O1 1384542 PXNODKJWWYCJEX-OAHLLOKOSA-N 342.351 1.793 50 50 EDGA CC(=O)N1CCCN(C[C@@H]2CCCN(C(=O)[C@H](C)Cl)C2)CC1 1875375600 FQQKXGYINYFXLG-ZFWWWQNUSA-N 329.872 1.407 50 50 EDGA Cc1cc(C2CCN(C(=O)NNC(=O)[C@H]3CCO[C@@H]3C)CC2)on1 2325818169 ASZDCBVUAJNWNE-YPMHNXCESA-N 336.392 1.328 50 50 EDGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1c(F)cccc1F 35324236 VIBUVQSZROVYIN-LBPRGKRZSA-N 332.262 1.628 50 50 EDGA N#CC1=C(SCC(N)=O)N[C@H](N)[C@H](C#N)[C@@H]1c1ccccc1Cl 226948261 FROLKSMEZVGXGF-IIMNLJJBSA-N 347.831 1.405 50 50 EDGA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)c(B(O)O)c1 169744442 DXESNWXHBVLKNW-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1 4347250 KBGREONSEKGBSC-VCHYOVAHSA-N 327.340 1.798 50 50 EDGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1OC 2897952 TWSIPQHBEHLNEJ-VXLYETTFSA-N 345.330 1.932 50 50 EDGA O=C(Nc1ccccc1Br)c1ccc(B(O)O)c(F)c1 169744495 RWAGFOCXIUZDPO-UHFFFAOYSA-N 337.941 1.520 50 50 EDGA O=C(NNc1nnc(C2CC2)s1)[C@@H]1CCCN1c1ccccc1 373323631 MDFBSWLBVHXDKM-ZDUSSCGKSA-N 329.429 2.528 50 50 EDGA Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(Cl)n2)cc1C 170619917 QCDJSLWPZYVREP-UHFFFAOYSA-N 346.774 1.752 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 186509 HXXNPNDBZOXMOF-VCHYOVAHSA-N 326.356 1.839 50 50 EDGA CCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] 6655152 URLYAOLZUUUTHM-SECBINFHSA-N 326.378 1.186 50 50 EDGA O=C(CN1CCSCC1)N/N=C/c1ccccc1Br 4990333 IWVOTKWVKARGSM-OQLLNIDSSA-N 342.262 1.948 50 50 EDGA CC(C)(C)NC(=O)C(=O)NNC(=O)c1ccccc1Br 2025340 BNXNHAKTMUMIPN-UHFFFAOYSA-N 342.193 1.125 50 50 EDGA O=C(C[C@@H]1C(=O)NCCN1C(=O)CCl)Nc1cccc(Cl)c1 85389121 XCVKCJZJQUOLGN-LLVKDONJSA-N 344.198 1.234 50 50 EDGA COc1cccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1O 291082 LZNMAQBJCIHWSM-UPAIAECRSA-N 328.324 1.691 50 50 EDGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1O 2025869 QKGLKPRUKRXZLN-VCHYOVAHSA-N 343.339 1.498 50 50 EDGA C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN 34925119 OXQMSHSBHHRUCU-UHFFFAOYSA-N 332.433 1.467 50 50 EDGA COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1ccncc1 5042006 PROGONVTARHXOE-UHFFFAOYSA-N 331.288 1.465 50 50 EDGA CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(O)c1 1775985272 AAMBXOHHXKRWRZ-JYRVWZFOSA-N 332.356 1.929 50 50 EDGA O=C(CCc1ccccc1)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 101161402 KNRZWFJGZNCKID-UGQVUOCMSA-N 328.368 1.290 50 50 EDGA COC(=O)/C(C#N)=C/c1ccc(OC)c(Cn2cnc([N+](=O)[O-])n2)c1 2778366 PCNZNZJIMYWUGW-VZUCSPMQSA-N 343.299 1.323 50 50 EDGA O=C(NNS(=O)(=O)c1ccccc1)c1ccc(C(F)(F)F)nc1 22996705 GLKIKGPWJJBJNJ-UHFFFAOYSA-N 345.302 1.724 50 50 EDGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(O)cc1O 2521811 GCLLTKFZIRWNOA-RQZCQDPDSA-N 329.312 1.195 50 50 EDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(C)cc2)C1 13320735 ODZDLPOEMGTFBZ-QAEAHILHSA-N 337.445 1.507 50 50 EDGA COc1cccc([C@H]2C(C#N)=C(N)Oc3nc(C)[nH]c(=O)c32)c1OC 5072910 QWQWVPHOYZCOQS-LBPRGKRZSA-N 340.339 1.314 50 50 EDGA CC[C@@H](C)Oc1cc(C(=O)NNc2c(C#N)c(C)nn2C)ccn1 1875350066 ZHZCVPRFXMXREV-SNVBAGLBSA-N 328.376 1.929 50 50 EDGA CC(C)N(C)c1cnn([C@@H]2CCCN(C(=O)[C@H](C)Cl)C2)c(=O)c1 1875380604 UAQSPQNXQUQMOL-QWHCGFSZSA-N 340.855 1.879 50 50 EDGA CCOc1ccc(C(=O)NNC(=O)c2cccnc2F)cc1OC 225747896 GCECYKXGLZMLTH-UHFFFAOYSA-N 333.319 1.703 50 50 EDGA Cc1cc(OCC(=O)NNC(=O)CCC(=O)O)cc(C)c1Cl 2110886 FGHVWSIZCZQFTO-UHFFFAOYSA-N 328.752 1.348 50 50 EDGA COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)c1ccccc1C 3095990 YYUUEJCOXXLBAK-UHFFFAOYSA-N 341.367 1.712 50 50 EDGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1 3085529 HYMFAFLNGXJEQW-DJKKODMXSA-N 331.759 1.926 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)cc1 2898525 YNVLIRBRARZGTL-VCHYOVAHSA-N 343.339 1.498 50 50 EDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2)cc1 2553748 KMWJRHNAWGCAGT-UDWIEESQSA-N 325.368 1.965 50 50 EDGA O=C(C[C@@H]1C(=O)NCCN1C(=O)CCl)Nc1ccccc1Cl 66324472 GZCJANJWCGLQHN-LLVKDONJSA-N 344.198 1.234 50 50 EDGA COc1ccc(OC)c(C=NNC(=O)Cn2nnc3ccccc32)c1 252320580 BDQGWWDRIOALRB-UHFFFAOYSA-N 339.355 1.599 50 50 EDGA O=C(NCC(F)(F)F)NNC(=O)c1ccccc1Br 2871586 RYRTWJLVUBBVJX-UHFFFAOYSA-N 340.099 1.955 50 50 EDGA COc1ccc([N+](=O)[O-])c(OCn2ccc(C(=O)NN=C(C)C)n2)c1 8782641 XKQKMJMWPGHZQT-UHFFFAOYSA-N 347.331 1.962 50 50 EDGA CN1CCC(=NNC(=O)c2ccc(CN3CCOCC3)cc2)CC1 97759132 KZDZLQXHZRLHQU-UHFFFAOYSA-N 330.432 1.330 50 50 EDGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1c(Cl)cccc1Cl 100567823 OOYTXODLCLXNRC-NGZXACEBSA-N 327.171 1.956 50 50 EDGA N#C/C(=C\c1cccnc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 15951918 ZKXBCFSABQAFDK-XYOKQWHBSA-N 328.353 1.275 50 50 EDGA C[C@@]1(C(Cl)Cl)[C@H]2CC[C@@]1(CS(=O)(=O)[N@@]1CO1)C(=O)C2 1857524488 ODLXIFKAVXJRBT-XICLKBMKSA-N 328.217 1.700 50 50 EDGA CCCc1cc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cs1 245227977 UORYALHLDZCESL-TXFQPVFDSA-N 348.424 1.985 50 50 EDGA N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NC[C@@H]1CCCO1 247484 JLNNUDJPLDUYQM-VOMSXAGXSA-N 331.372 1.318 50 50 EDGA COc1cc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc(OC)c1OC 4853176 ARMLCLLILHSHIS-ONNFQVAWSA-N 325.328 1.954 50 50 EDGA CC(=O)Nc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1 1754371 MRUBXMPWMFKRKP-RGVLZGJSSA-N 338.367 1.525 50 50 EDGA O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc([N+](=O)[O-])cc1 283497 FSCDNNJLCIKUHL-UHFFFAOYSA-N 326.264 1.796 50 50 EDGA in-vitro COC(=O)c1ccccc1NC(=O)NNC(=O)c1ccc(O)cc1 2143625 XJFFIVOSFWHANF-UHFFFAOYSA-N 329.312 1.645 50 50 EDGA CCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O 100534760 CGJRSDLTGIHKBO-UHFFFAOYSA-N 331.372 1.678 50 50 EDGA O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccccc1F 30791443 ZXRJUPFIRYJTQI-DPGUEWGQSA-N 325.343 1.806 50 50 EDGA C[C@@H](NC(=S)NNC(=O)c1c(Cl)cnn1C)c1ccccc1 2795349 JQIJRFBYRDWRKW-SECBINFHSA-N 337.836 1.944 50 50 EDGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1O 2571767 OMEMVBZLLTZMMV-VCHYOVAHSA-N 327.340 1.798 50 50 EDGA O=C(CO/N=C/c1ccccc1O)NNC(=O)c1ccccc1Cl 2080990 YDOGMLDLKVOCHQ-GIJQJNRQSA-N 347.758 1.857 50 50 EDGA C[C@@H](Cl)C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 1875380032 CMYBIQSDEXVZIV-WOPDTQHZSA-N 343.834 1.545 50 50 EDGA C[C@H](Cl)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 1875364035 HOGOSXVRKWVMOW-GXSJLCMTSA-N 326.780 1.055 50 50 EDGA CCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 100671791 QHQZYRCUHFLASW-UHFFFAOYSA-N 331.372 1.678 50 50 EDGA COc1cc(Cl)ccc1C(=O)NNC(=O)C12CCCN1CCC2 252496608 PMXYKCIDJMHDBA-UHFFFAOYSA-N 337.807 1.738 50 50 EDGA CC(=NNC(=O)CNC(=O)[C@H]1COc2ccccc2O1)c1ccco1 252680181 XBGOHECTZPXMRK-OAHLLOKOSA-N 343.339 1.076 50 50 EDGA C[C@@H](C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 496302440 HHPSEMJQCKOWQA-DGCLKSJQSA-N 339.436 1.827 50 50 EDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC)cc1 2532851 QMLFDZLEGKUBQE-RGVLZGJSSA-N 341.367 1.584 50 50 EDGA COc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1 2871674 OJJZHHZUAANLSA-UHFFFAOYSA-N 333.388 1.153 50 50 EDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1 4210161 CWMZHVGJLJBGCH-VXLYETTFSA-N 340.339 1.783 50 50 EDGA NNC(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 374056 PATDKLICDVZJBL-UHFFFAOYSA-N 340.137 1.206 50 50 EDGA Cc1scc(C(=O)NNC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c1C 136576533 AJXALPZZKVFHDX-DDHJBXDOSA-N 338.385 1.004 50 50 EDGA CC(=NNC(=O)CNC(=O)c1ccc2c(c1)OCCO2)c1ccco1 252679538 NWXMIGPSAIESGD-UHFFFAOYSA-N 343.339 1.321 50 50 EDGA C[C@@H](Cl)C(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1875366356 CSPPVDPVJZYCJF-MRVPVSSYSA-N 344.799 1.450 50 50 EDGA O=C(CCl)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1875363470 CORLYYTURGSHHV-AWEZNQCLSA-N 338.791 1.172 50 50 EDGA C[C@@H]1[C@H](Br)[C@H](Br)C[C@H](C(=O)O)[C@H]1C(=O)O 242750310 ZLBZDHSWWOYOSK-ZYNSJIGGSA-N 343.999 1.955 50 50 EDGA COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)cc(OC)c1OC 731217 KUZPMRVZYIYPML-GIJQJNRQSA-N 346.339 1.888 50 50 EDGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2902996 ZVSMZNITQAVBDU-GIJQJNRQSA-N 325.324 1.813 50 50 EDGA C[C@@H]1CC[C@H](O)O[C@@H]1COC[C@@H]1CCC[C@H](CCC(=O)OO)O1 605700927 VHOCHYNFQXBVGU-UXXRCYHCSA-N 332.393 1.871 50 50 EDGA O=S1(=O)[C@H]2CCN1C[C@H](Br)[C@@H](Br)C2 101093045 WYWMLKGKCPVNFT-ACZMJKKPSA-N 333.045 1.321 50 50 EDGA CCn1ncc(NC(=S)NNC(=O)c2c(Cl)cnn2C)c1C 2802598 HIHMFPZJUJSXPB-UHFFFAOYSA-N 341.828 1.230 50 50 EDGA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NCCBr 6112371 GRVOXQKNXPEZFN-NTMALXAHSA-N 338.161 1.138 50 50 EDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(Br)ccc21 169743813 RBYTXZMVOGZESQ-UHFFFAOYSA-N 339.982 1.867 50 50 EDGA in-vitro COc1cccc([C@@H]2C(C#N)=C(N)Oc3nc(C)[nH]c(=O)c32)c1OC 5072911 QWQWVPHOYZCOQS-GFCCVEGCSA-N 340.339 1.314 50 50 EDGA O=C(NN(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)c1cccnc1 3168535 IHJNWHOLHMJURK-OAHLLOKOSA-N 331.397 1.420 50 50 EDGA C=CCc1cccc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)c1O 100557115 IQBMKLIQDQYPIZ-YFEUJDIGSA-N 328.372 1.473 50 50 EDGA COc1ccc(Br)cc1/C=N/NC(=O)c1nonc1N 27804 NLMYYLFBYPVYMT-LHHJGKSTSA-N 340.137 1.187 50 50 EDGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1 5907214 KCVPJNLCVZXUDB-WOJGMQOQSA-N 327.340 1.880 50 50 EDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccccn1 19833694 NDAWECOIKHWATP-KGENOOAVSA-N 337.427 1.350 50 50 EDGA CCOc1cc(/C=N\NC(=O)Cn2nnc3ccccc32)ccc1O 32617886 HJNMZZVSWXAPDW-ZDLGFXPLSA-N 339.355 1.686 50 50 EDGA O=C(N/N=C/c1coc2ccccc2c1=O)C(=O)Nc1ccccc1 4354348 CYKLMZIKWMRBLT-VXLYETTFSA-N 335.319 1.882 50 50 EDGA O=C(NNC(=S)Nc1ccccc1)[C@H]1COc2ccccc2O1 273393 VDJWKOJWUWPEAM-CQSZACIVSA-N 329.381 1.844 50 50 EDGA O=S(=O)(c1ccc(-c2nnc(CCl)o2)o1)N1CCOCC1 1857800208 DLDNYYWIRFQCPC-UHFFFAOYSA-N 333.753 1.089 50 50 EDGA CCN(CCSS(=O)(=O)O)CCC(=O)Nc1nccs1 71767313 OODYVSMNKIIYEA-UHFFFAOYSA-N 339.464 1.330 50 50 EDGA Cc1nn(C[C@H](C)C(=O)N/N=C/c2ccncc2)c(C)c1[N+](=O)[O-] 2785680 XJHAHGNFKRVSTE-JVDJPWEPSA-N 330.348 1.590 50 50 EDGA CC(C)(C)OC(=O)N(CCCOc1ccc(B(O)O)cc1)C1CC1 230525463 CVFWWEUQXUKBNC-UHFFFAOYSA-N 335.209 1.535 50 50 EDGA CCNC(=S)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1 13545350 LUHMAGRQMLKILS-UHFFFAOYSA-N 330.413 1.025 50 50 EDGA CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](NC(=O)CCl)C1 1875375613 FWLJYRPRQWZZBD-SNVBAGLBSA-N 328.800 1.357 50 50 EDGA C[C@H](Cl)C(=O)N(C)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 1875364462 MYTVMOJSQPHQHW-JQWIXIFHSA-N 326.828 1.997 50 50 EDGA CCc1ccc(CC)c(NC(=O)c2ccc(B(O)O)c(C=O)c2)c1 2325873457 HXQJMDXEOPUGFI-UHFFFAOYSA-N 325.173 1.556 50 50 EDGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccncc3)[C@@H]2C1 226510 YSDSGEOWRICUBQ-SJORKVTESA-N 330.395 1.827 50 50 EDGA O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1cccs1 2895245 SHJSOPNXDCAQIL-GHIJENOOSA-N 345.380 1.154 50 50 EDGA CCOc1ccc(CC(=O)NNC(=S)NC[C@@H]2CCCO2)cc1 6946629 OTIRDLQPPKBUBE-AWEZNQCLSA-N 337.445 1.302 50 50 EDGA O=C(CNC(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1 2895236 RTDMOFNVTUPXPP-VXLYETTFSA-N 325.324 1.265 50 50 EDGA CC1=C(n2nnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C(C#N)=C(N)O1 438907 HXECNMBAEFNXIM-NSHDSACASA-N 325.288 1.278 50 50 EDGA C/C(COc1ccccc1OCC(=O)O)=N\NC(=O)c1ccncc1 12343262 FDVPBKJXDNKUBT-XDHOZWIPSA-N 343.339 1.730 50 50 EDGA Cc1c(C(=O)NNC(=O)COc2ccc(F)cc2)cnc2ccnn12 2325819466 FXKWBJHGJSVWRG-UHFFFAOYSA-N 343.318 1.017 50 50 EDGA CO[C@H]1C[C@@H](C(=O)NCCSSCCC(=O)O)C[C@H]1OC 1875388461 BWTRFZPLXXDQAP-JGPRNRPPSA-N 337.463 1.399 50 50 EDGA CC(=O)NC(=S)NNC(=O)c1ccc(C)c(Br)c1 2551975 ISYNTYBSGHDCTE-UHFFFAOYSA-N 330.207 1.413 50 50 EDGA O=C1CCCN1CCONC(=O)[C@@]12CCCC[C@@H]1[C@H]2Br 1875274445 VPAYKXSDWBJALO-QKCSRTOESA-N 345.237 1.610 50 50 EDGA Cn1cccc1CC(=O)NNC(=S)NCc1ccc(Cl)cc1 609075 YREDJVDHZSIMQD-UHFFFAOYSA-N 336.848 1.917 50 50 EDGA O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1 36177992 SCGMXMMBFQDFJD-IWAJPKQASA-N 343.295 1.591 50 50 EDGA O=C(NNC(=O)[C@@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 17067640 XVLXISZUKAVOKG-ZDUSSCGKSA-N 330.300 1.481 50 50 EDGA CC1(C)C(c2ccco2)=[N+]([O-])[C@]2(CCCCC/C2=N\NC(N)=O)N1O 15685468 QSSUZBYLNSSKLL-YAJBTMAUSA-N 349.391 1.747 50 50 EDGA COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)c(OC)c1 252679984 ULHBQYPLKWMMGQ-UHFFFAOYSA-N 332.312 1.585 50 50 EDGA Cc1nn(C)c(NNC(=O)CN2CCc3sccc3C2)c1C#N 1875344788 MPKLCVMTZAMGQT-UHFFFAOYSA-N 330.417 1.163 50 50 EDGA O=C(Cc1ccncc1)NNC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 130278077 MHWMXDAIAZUHIE-KBAYOESNSA-N 336.395 1.683 50 50 EDGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1 2566503 UIMJOBPOOHGCRP-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA COc1cccc([C@H]2C[C@H]2C(=O)NNc2c(C#N)c(C)nn2C)c1 1875349698 JDQXQDHSOXCPRS-ZIAGYGMSSA-N 325.372 1.856 50 50 EDGA Cc1oc(/C=N/NC(=O)CC2(C)OCCO2)cc1Br 447302 YWCRCJKQQXAOLG-VGOFMYFVSA-N 331.166 1.954 50 50 EDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2O)c1 4335709 KHCHLESYBIPONJ-RQZCQDPDSA-N 329.312 1.195 50 50 EDGA COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1 2900046 MPAGZWACVAUHRI-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2cccs2)C1 13320819 FHHPDHRJGGNQJR-ZECSTPGPSA-N 329.447 1.260 50 50 EDGA C[C@H](Cl)C(=O)N[C@]1(c2ccc(S(C)(=O)=O)cc2)CCOC1 1875366457 LCVRCMYKJRSKKE-IINYFYTJSA-N 331.821 1.449 50 50 EDGA Cc1noc(C2CCN(C(=O)NNC(=O)c3cccs3)CC2)n1 2325719589 SYGHCJINYNCINX-UHFFFAOYSA-N 335.389 1.674 50 50 EDGA CCOc1ccc([C@@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc1 278810 TVHWWLJIIVWKNZ-LBPRGKRZSA-N 331.397 1.642 50 50 EDGA COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1OC 2897797 ANRMUVGBBIDFEL-GIJQJNRQSA-N 331.328 1.063 50 50 EDGA COc1cccc(OCC(=O)N/N=C/c2ccc(O)c(OC)c2)c1 35653649 OSQRGYJNLWIUFR-VCHYOVAHSA-N 330.340 1.939 50 50 EDGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(C)c2ccccc21 4653849 HGGUIKFLKALPBS-GIGQVBGESA-N 335.363 1.878 50 50 EDGA O=C(NNS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 6251386 DENRELHJMLIKEQ-UHFFFAOYSA-N 338.316 1.178 50 50 EDGA Cc1cccc(OCC(=O)NCC(=O)N/N=C/c2cccs2)c1 2894263 WQCJFWSDZOTDDT-GIJQJNRQSA-N 331.397 1.702 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 2902814 NWDLDEHUDHCJBV-VCHYOVAHSA-N 341.323 1.482 50 50 EDGA biogenic Cc1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)COc1ccc(F)cc1 124306759 ZZNQZABNZWJAFX-UHFFFAOYSA-N 347.302 1.882 50 50 EDGA COc1ccc(C(C)=NNC(=O)c2nc3nc(C)cc(C)n3n2)cc1 245329487 ZNMUFOYQITVPFO-UHFFFAOYSA-N 338.371 1.904 50 50 EDGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)c1 2568831 APEMSVQNOLOXMJ-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA O=C(CP(=O)(c1ccccc1)c1ccccc1)Nn1cnnc1 289298 MZCKZCYQTUGAAX-UHFFFAOYSA-N 326.296 1.362 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)c(OC)c1 2909968 QMQFSPRQVHBGIR-VCHYOVAHSA-N 328.328 1.188 50 50 EDGA O=C(CN1CCOCC1)N/N=C/c1ccccc1Br 22205963 PIWGNIXENBCGES-OQLLNIDSSA-N 326.194 1.231 50 50 EDGA Cc1ccccc1OCC(=O)NNC(=S)Nc1cn(C)nc1C 2799660 GTIBCTSNSFMZIA-UHFFFAOYSA-N 333.417 1.434 50 50 EDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccncc2)cc1Cl 3136643 DUKJUHUDDJPIKX-AWQFTUOYSA-N 346.774 1.624 50 50 EDGA O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1 36177990 SCGMXMMBFQDFJD-LJZSXMKHSA-N 343.295 1.591 50 50 EDGA COc1ccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)cc1OC 5729812 ONRIIPJHHCCGKS-UHFFFAOYSA-N 325.324 1.790 50 50 EDGA C[C@]1(C(=O)NNC(=S)NC[C@H]2CCCO2)CC1(Cl)Cl 2853460 ZUIZJYQOZTUDAN-GMSGAONNSA-N 326.249 1.245 50 50 EDGA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)c(B(O)O)c1 169744601 BZTFIWNAVUCHAU-UHFFFAOYSA-N 334.524 1.489 50 50 EDGA CC(=O)c1cccc(NC(=S)NNC(=O)c2cc(O)ccc2O)c1 1119799 WCSWSIQFDSKKEU-UHFFFAOYSA-N 345.380 1.932 50 50 EDGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccncc3)[C@H]2C1 4311697 YSDSGEOWRICUBQ-IRXDYDNUSA-N 330.395 1.827 50 50 EDGA CN(C)N1C(N)=C(C#N)[C@]2(C(=O)Nc3ccccc32)C2=C1CCCC2=O 4728081 NQOJIFXHYNMLND-IBGZPJMESA-N 349.394 1.370 50 50 EDGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(-n2cccc2)cc1 612152 DBFHYAMLHXOHAZ-HNNXBMFYSA-N 344.440 1.765 50 50 EDGA CCOc1cccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1 239174042 PELCXBGISVDAOO-UOVKNHIHSA-N 344.367 1.369 50 50 EDGA O=C(CBr)C1=Nc2cc([N+](=O)[O-])ccc2NCC1=O 25757295 YERVHSBJGRESCV-UHFFFAOYSA-N 326.106 1.626 50 50 EDGA O=C(CCl)c1c[nH]c(/C=N/NS(=O)(=O)c2ccccc2)c1 8873673 SCVLMEKAUWRXJU-CXUHLZMHSA-N 325.777 1.749 50 50 EDGA Cc1nn(C)c(C(=O)NNC(=S)NCc2ccccc2)c1Cl 373621 HXNIOASGZNEFKP-UHFFFAOYSA-N 337.836 1.691 50 50 EDGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)N[C@H]1CCS(=O)(=O)C1 1875390619 IKNQMFZIFSCKKF-RASIQKJASA-N 325.434 1.285 50 50 EDGA CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 299181 PCHJQCVXBVHYDI-UHFFFAOYSA-N 342.311 1.628 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(O)cc3)[C@H]2C1 1318875 BTYMMWDRUWVTEC-IRXDYDNUSA-N 331.379 1.747 50 50 EDGA COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1O 291095 QUWGRTJBMWADOI-TWIVVOHQSA-N 328.324 1.691 50 50 EDGA CC1(C)[C@H](C(=O)NNC(=O)COc2ccccc2)CC[C@]1(C)C(=O)O 22204602 KSZPFDMBFXXJIX-SCLBCKFNSA-N 348.399 1.740 50 50 EDGA COc1cccc(/C=N/NC(=O)CSc2ncccn2)c1OC 233669 JIJJVOWONTWQFL-GIJQJNRQSA-N 332.385 1.736 50 50 EDGA C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 5010196 RWLYXZXCEDPDNA-MHWRWJLKSA-N 345.363 1.685 50 50 EDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc(Cl)cc12 50646 KTIHPZFGAFHEKL-INIZCTEOSA-N 345.742 1.701 50 50 EDGA CCOc1cc(/C=N/NC(=O)CSc2ncccn2)ccc1O 233677 MBDIYKMKLUJYQM-GIJQJNRQSA-N 332.385 1.823 50 50 EDGA NNC(=O)c1ccccc1OCc1ncn(-c2cccc(Cl)n2)n1 1391242 GJABGPDZMGLYQK-UHFFFAOYSA-N 344.762 1.498 50 50 EDGA COCCN(C)NC(=O)c1nn(-c2ccccc2C)c2c1CCC2 288627229 WFQILGDRKLYDJU-UHFFFAOYSA-N 328.416 1.892 50 50 EDGA Cc1nn(C)c(C)c1/C=N/NC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 373884 ISUUPMPDFRKWSJ-LZYBPNLTSA-N 347.379 1.299 50 50 EDGA Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(B(O)O)cc1 169747471 SMPORGPEQYCOAP-UHFFFAOYSA-N 325.582 1.129 50 50 EDGA in-vitro O=C(O)[C@@H]1C[C@H](Cl)[C@@H](S(=O)(=O)c2ccccc2)C[C@H]1C(=O)O 6668772 NMWKXOFBFYQBTR-WYUUTHIRSA-N 346.788 1.632 50 50 EDGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4282049 MWBPBYYNZDTCJS-RQZCQDPDSA-N 343.295 1.822 50 50 EDGA CC(=NNC(=O)CNC(=O)[C@@H]1COc2ccccc2O1)c1ccco1 252680180 XBGOHECTZPXMRK-HNNXBMFYSA-N 343.339 1.076 50 50 EDGA NNC(=O)[C@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 17071957 YLCDCNGYTKRHNJ-VIFPVBQESA-N 345.230 1.634 50 50 EDGA COc1ccccc1O[C@H](C)C(=O)NNC(=S)NC1CCCC1 13497551 XSPYNNJNFPDODT-LLVKDONJSA-N 337.445 1.900 50 50 EDGA COc1ccc(/C=N\NC(=O)Cn2nnc3ccccc32)c(OC)c1 15658668 LIRDYQOMTCSPED-ZDLGFXPLSA-N 339.355 1.599 50 50 EDGA COc1ccccc1CC(=O)NNC(=O)C12CC(CN1C1CC1)C2 1875301569 NCZNKCGLASAWQQ-UHFFFAOYSA-N 329.400 1.012 50 50 EDGA CS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/C=C/c2ccco2)C1 17066608 KTUMZXPNOUOOPN-CUMWVEPPSA-N 325.390 1.066 50 50 EDGA O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(B(O)O)c1F 169744701 LVHOWIOTZYKINE-UHFFFAOYSA-N 327.042 1.777 50 50 EDGA COCCCNC(=S)NNC(=O)[C@](C)(OC)c1ccccc1F 408517836 WSPIZBLIZXVMIP-OAHLLOKOSA-N 343.424 1.219 50 50 EDGA O=C(NNC(=S)Nc1ccccc1)[C@@H]1COc2ccccc2O1 273394 VDJWKOJWUWPEAM-AWEZNQCLSA-N 329.381 1.844 50 50 EDGA CCOc1cc(/C=N/NC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1O 374565 CPVZPWPPDQESKE-GIDUJCDVSA-N 333.304 1.046 50 50 EDGA O=C(CSCc1ccccc1)NNC(=S)NC[C@@H]1CCCO1 6529652 JBGZNNLKFCCYHE-ZDUSSCGKSA-N 339.486 1.594 50 50 EDGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1O 2576170 CIXBJTUOXQYOPN-VCHYOVAHSA-N 327.340 1.798 50 50 EDGA C[C@H](Cl)C(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1875366357 CSPPVDPVJZYCJF-QMMMGPOBSA-N 344.799 1.450 50 50 EDGA CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)[C@H](C)Cl)C2)c(=O)c1 1875380605 UAQSPQNXQUQMOL-STQMWFEESA-N 340.855 1.879 50 50 EDGA CCC(=O)NNS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F 864091125 MDTFNEYBIHPSSZ-UHFFFAOYSA-N 331.703 1.473 50 50 EDGA CNC(=S)N(C)NC(=O)c1nn(-c2ccccc2C)c2c1CCC2 408522791 LSWSGCZKSHCNMQ-UHFFFAOYSA-N 343.456 1.750 50 50 EDGA CCCC(=O)N1CCC[C@H]1C(=O)NCCSSCCC(=O)O 1875361833 DKBAGFVUSJUZHT-NSHDSACASA-N 348.490 1.750 50 50 EDGA CC[C@H](C)Oc1cc(C(=O)NNc2c(C#N)c(C)nn2C)ccn1 1875350065 ZHZCVPRFXMXREV-JTQLQIEISA-N 328.376 1.929 50 50 EDGA COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1oc(CO)cc2=O 1428093 RPBBBSCVSPNVAX-CQSZACIVSA-N 326.308 1.359 50 50 EDGA COC(=O)[C@]1(SC)[C@H]2CC3(OCCO3)[C@H]1C[C@@H]2Br 104310577 CRURLMDCGDFURD-UOKLYIGXSA-N 337.235 1.808 50 50 EDGA O=C(CSc1ncccn1)N/N=C/c1cccc2c1OCCO2 197083 TUXRGUYILGCPGT-GIJQJNRQSA-N 330.369 1.490 50 50 EDGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C1\C(=O)Nc2ccccc21 6557785 MYIGUZRXOXCWOY-UHFFFAOYSA-N 340.295 1.446 50 50 EDGA NC(=O)COc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1 13321766 HXQHBRSMFZULAX-ZVBGSRNCSA-N 336.351 1.796 50 50 EDGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 3131925 NJINAUVDSZEDHH-RQZCQDPDSA-N 330.275 1.823 50 50 EDGA COc1ccc(OCC(=O)NNC(=O)Nc2ccccc2OC)cc1 17071970 CIKMJYMWWOXNPP-UHFFFAOYSA-N 345.355 1.936 50 50 EDGA CC(C)=C[C@@H]1[C@@H](C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)C1(C)C 252679120 IBHIDLWOQKFEEE-BZPMIXESSA-N 342.461 1.197 50 50 EDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 1922192 DKCFIWZSMDTTNY-KEBDBYFISA-N 329.331 1.714 50 50 EDGA COc1ccccc1/C=C/C=N/NC(=O)CC[C@@H]1C(=O)NN=C1C 100507366 VUPTWJALUJWCMF-YFEMZKNYSA-N 328.372 1.713 50 50 EDGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc([N+](=O)[O-])ccc1O 3100613 MQUVCJMDRGNJEF-VIZOYTHASA-N 346.255 1.678 50 50 EDGA O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cncc2ccccc12 170640917 ANOLQVKEWODLOT-QGZVFWFLSA-N 349.346 1.836 50 50 EDGA Cc1ccc(NC(=O)C(=O)NNC(=O)c2cc(C)c(F)cc2F)cc1 225764159 WFAZIUQGJZVEPL-UHFFFAOYSA-N 347.321 1.981 50 50 EDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccc(Br)cc1 100621501 OCYAYTANIOLTAT-BXRZMRDGSA-N 337.177 1.411 50 50 EDGA Cc1cc(O)cc(O)c1/C=N/NC(=O)c1ccc2c(c1)OCCO2 449917 JWBCBKFNPGFDRN-GIJQJNRQSA-N 328.324 1.941 50 50 EDGA COc1ccc(OC)c(/C=N\NC(=O)Cn2nnc3ccccc32)c1 15658706 BDQGWWDRIOALRB-ZDLGFXPLSA-N 339.355 1.599 50 50 EDGA CCCS(=O)(=O)[C@H](CCl)CN1C(=O)c2ccccc2C1=O 41474 NYDUBDGNENSSGA-SNVBAGLBSA-N 329.805 1.715 50 50 EDGA C#CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccccc1C 2544347 QLYCHDZWNADKCW-LPYMAVHISA-N 349.390 1.887 50 50 EDGA C=CCOc1cccc(/C=N/NC(=O)C(=O)NCc2ccccn2)c1 12343919 HCFWUNMMXPLISQ-CIAFOILYSA-N 338.367 1.413 50 50 EDGA CN(NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccccc1 5668591 QWNNFYQUBPILCG-UHFFFAOYSA-N 339.804 1.769 50 50 EDGA in-man CC(C=NNC(=O)c1ccc(O)cc1)=NNC(=O)c1ccc(O)cc1 245311311 NBANEGFRUCHXMJ-UHFFFAOYSA-N 340.339 1.619 50 50 EDGA O=S(=O)(Nc1cccc2ccccc12)c1ccc(B(O)O)cc1 169746385 UOKSWRGMRNZXCO-UHFFFAOYSA-N 327.170 1.320 50 50 EDGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 3008951 UPRMPMNHZWWZLM-GIJQJNRQSA-N 325.324 1.813 50 50 EDGA C=CCN1C(=O)/C(=C\C(=O)OC)S/C1=N\NC(=O)c1ccccc1 33533419 NQNZJAWNVOSNGV-VXMMEAGUSA-N 345.380 1.506 50 50 EDGA COc1ccc(NC(=S)NNC(=O)Cc2cccn2C)cc1OC 612026 SJQCALANAJOBJU-UHFFFAOYSA-N 348.428 1.603 50 50 EDGA CC[C@H](C)C(=O)NNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] 125124445 ALYKJYTXBVIEGN-QMMMGPOBSA-N 329.378 1.567 50 50 EDGA Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@H](C)Cl 1875363713 USNFCJDEEHASKV-NSHDSACASA-N 327.860 1.114 50 50 EDGA COc1ccccc1C(=O)NNC(=S)NC(=O)C1CCCCC1 1926508 YYMLRBUIURFPPP-UHFFFAOYSA-N 335.429 1.911 50 50 EDGA CCOC(=O)[C@@H](Br)[C@H](Br)C(=O)OCC 1691492 ADZYAUVCHQDILS-WDSKDSINSA-N 331.988 1.640 50 50 EDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 2544166 HMGDAFQOSIRUNQ-VXLYETTFSA-N 340.339 1.783 50 50 EDGA CC(C)(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)Cc1c[nH]c2ncccc12 170612140 OQDXYWHQIDFUJF-ZFWWWQNUSA-N 344.415 1.704 50 50 EDGA O=C(CN1CCOCC1)N/N=C/c1cc2ccccc2nc1Cl 13113626 YLEBXOYGGJLSIC-VCHYOVAHSA-N 332.791 1.671 50 50 EDGA COc1ccccc1C(=O)NNC(=O)[C@@H]1c2c[nH]nc2CC[C@H]1C 878789987 LAAPPJKDFNZIPA-BMIGLBTASA-N 328.372 1.545 50 50 EDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OC)c1 2897782 GVGPKVZQRGIPQR-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA C/C(=N\NC(=O)c1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 13321724 ZTBBTCUNUOXNOG-VCHYOVAHSA-N 326.312 1.848 50 50 EDGA O=C1[C@H]2[C@@H]3C[C@H]4[C@@H]2C(=O)[C@H](Br)[C@H]4[C@H]3[C@H]1Br 238833366 ASRUXQHQIUKJHH-ABNDLPPMSA-N 334.007 1.793 50 50 EDGA in-vitro C#CCN1C(=O)/C(=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21 18212734 OKCUXXPHNXZCOL-LVZFUZTISA-N 347.330 1.529 50 50 EDGA Cc1ccc(S(=O)(=O)N2CCC(=O)[C@H](Br)C2)cc1 3053515 IMBKJKPYHSSCHX-LLVKDONJSA-N 332.219 1.722 50 50 EDGA COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O1 499892 GYUMIZSTRSSNSY-AWEZNQCLSA-N 346.314 1.624 50 50 EDGA CCn1ncc(NC(=S)NNC(=O)CCn2nc(C)cc2C)c1C 2802539 WPHBLFDIDACGAO-UHFFFAOYSA-N 349.464 1.433 50 50 EDGA O=C(Cc1ccc(Cl)cc1)NNC(=S)NC[C@H]1CCCO1 15899861 VCGATSXKVZAWGD-GFCCVEGCSA-N 327.837 1.557 50 50 EDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 100507420 DZQSYCMVIZRKDX-WFSQQTBHSA-N 331.332 1.337 50 50 EDGA CC(=NOCC(=O)NN=C1C(=O)Nc2ccccc21)c1cccs1 252680336 ZHTOSVPNQSAKHU-UHFFFAOYSA-N 342.380 1.961 50 50 EDGA CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCl 1253962998 HXIZKIXLADNROK-UHFFFAOYSA-N 330.837 1.845 50 50 EDGA C[C@H](Cl)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 1875364676 PZKGXJVFOYKWTO-GXFFZTMASA-N 344.242 1.638 50 50 EDGA COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccccc1C 2859372 KWZVZDLQPQOIAB-UHFFFAOYSA-N 343.408 1.953 50 50 EDGA Cc1cc(C)n2nc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)nc2n1 32678414 DDSMQTLCFGFUSJ-PXNMLYILSA-N 339.315 1.413 50 50 EDGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 4976089 UXBVJNRSQCLRNP-GFHWABCWSA-N 327.296 1.885 50 50 EDGA COC(=O)[C@@]1(SC)[C@H]2CC3(OCCO3)[C@H]1C[C@@H]2Br 104310571 CRURLMDCGDFURD-APOZVJGGSA-N 337.235 1.808 50 50 EDGA CCOC(=O)CCC[C@H](Br)C(=O)c1[nH]c(=O)[nH]c1C 4342646 WLOQHPHJLCNRTF-QMMMGPOBSA-N 333.182 1.691 50 50 EDGA O=C(Cc1ccncc1)NNC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 130278489 MHWMXDAIAZUHIE-BPQIPLTHSA-N 336.395 1.683 50 50 EDGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1 3061703 RGYFKRXCZFYCDE-WOJGMQOQSA-N 327.340 1.880 50 50 EDGA Cc1ccc(OCC(=O)NNC(=O)c2ccc(O)cc2O)c(C)c1 444832 KGQGHJMAJRJJRN-UHFFFAOYSA-N 330.340 1.555 50 50 EDGA COc1cccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)c1O 2025263 DXQQDTSQRVLSMF-UDWIEESQSA-N 341.367 1.210 50 50 EDGA COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccccc1C 2507244 CBVKWYIHNGZANC-RGVLZGJSSA-N 325.368 1.884 50 50 EDGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccco2)cc1 2553786 IZFOKOXVRNWGTH-YBFXNURJSA-N 329.356 1.949 50 50 EDGA O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1cccs1 2895609 CJSCZKDIWBLJGA-REZTVBANSA-N 331.353 1.357 50 50 EDGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccccc12 1820117 JQUGBSVMGOLEHI-SFHVURJKSA-N 337.335 1.604 50 50 EDGA Cc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccccc3)C2=O)c(C)c1 100529835 WQJONANLDCKVKX-HNNXBMFYSA-N 337.379 1.870 50 50 EDGA COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2)C(C#N)=C(N)O1 1384541 PXNODKJWWYCJEX-HNNXBMFYSA-N 342.351 1.793 50 50 EDGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[C@H]3O[C@H]1C(=O)[C@H](O3)[C@@]21CCCO1 257358857 WUHOPCOQOZLLIS-NMKONOMSSA-N 342.464 1.975 50 50 EDGA Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCCCCl 3037943 YFALWFZAVDYRMG-UHFFFAOYSA-N 349.616 1.595 50 50 EDGA O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 35974045 GTBPGNSUYBGDHW-RQZCQDPDSA-N 343.295 1.836 50 50 EDGA Cc1scc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1C 138288234 XAQVXSCIVYABAS-YRRQLQLVSA-N 336.413 1.873 50 50 EDGA Nc1nc2c(cnn2CCBr)c2nc(-c3ccco3)nn12 166542925 IVFQYNUKYXYNND-UHFFFAOYSA-N 348.164 1.711 50 50 EDGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1 4261146 BJTCLDDIBIIYIE-WOJGMQOQSA-N 327.340 1.880 50 50 EDGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cc(F)ccc1F 377527 XZBIGJPGHCKWGK-ZDUSSCGKSA-N 332.262 1.628 50 50 EDGA CN(C)c1ccc(/C=N/NC(=O)c2nc3ccccc3[nH]c2=O)cc1 5728207 LKXHZWBBNASSQJ-YBFXNURJSA-N 335.367 1.753 50 50 EDGA COc1ccc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 299330 FESRBVNBYFDJMU-UHFFFAOYSA-N 329.312 1.607 50 50 EDGA CC(C)(O)C(=O)NNC(=O)c1cccc(NCc2cncs2)c1 952993879 SVVYVCZTUZWKRL-UHFFFAOYSA-N 334.401 1.287 50 50 EDGA C[C@@H](Cl)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 1875364037 HOGOSXVRKWVMOW-KOLCDFICSA-N 326.780 1.055 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(O)c3)[C@@H]2C1 35930433 YQEXPWQWQQCOSX-SJORKVTESA-N 331.379 1.747 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(O)c(O)c3)[C@@H]2C1 25584770 VPMWOQRJIKLDOQ-RHSMWYFYSA-N 347.378 1.453 50 50 EDGA CCc1[nH]nc2c1[C@@]1(C(=O)Nc3ccc(Cl)cc31)C(C#N)=C(N)O2 5130057 WMUIXOVZLPDSLZ-INIZCTEOSA-N 341.758 1.950 50 50 EDGA COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2ccccc2C)c1 4295694 FLZIDKQKAJYCRU-KEBDBYFISA-N 341.367 1.589 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 197793 YPYAVHXHHXIYDA-JJLFXSABSA-N 340.335 1.763 50 50 EDGA COc1ccc(OC)c(/C=N/NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 371263 DJLXDMVBBOHZDA-LZYBPNLTSA-N 347.331 1.418 50 50 EDGA C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(OCC(N)=O)cc1 13322092 QFYZSBUBCPGEND-RGVLZGJSSA-N 329.331 1.844 50 50 EDGA COc1ccc(/C=N/NC(=O)CNc2ccccc2OC)cc1O 584269 JWJLOWIAFOFKEQ-VXLYETTFSA-N 329.356 1.972 50 50 EDGA CCc1cc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cs1 239339267 LXNODHIEMFXRQV-WTTBSCSTSA-N 334.397 1.594 50 50 EDGA C[C@H](NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1)c1ccccc1 5515695 NPXYOODAYRFXOT-MKFNJMOCSA-N 339.351 1.712 50 50 EDGA COC(=O)[C@H](Br)CCN1C(=O)c2ccccc2C1=O 254855 CZODFRDZBXWPBA-SNVBAGLBSA-N 326.146 1.609 50 50 EDGA N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1nc2ccccc2c(=O)[nH]1 9972284 CRRUWYINBPEHED-LCYFTJDESA-N 346.346 1.851 50 50 EDGA C[C@H](Cl)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1875364965 ZSGZYLXQDNEIPQ-ZETCQYMHSA-N 336.763 1.292 50 50 EDGA N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)NCc1ccco1 2864955 QVRVRMWWZJNOPX-MDWZMJQESA-N 325.324 1.367 50 50 EDGA COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccccc2)c1 2899613 FBAMCOFSSLOPIG-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)[C@H]1CC12CCC2 333731 VUFGFUNPFIDARC-LLVKDONJSA-N 333.300 1.244 50 50 EDGA O=C(NNc1nnc(C2CC2)s1)[C@H]1CCCN1c1ccccc1 373323630 MDFBSWLBVHXDKM-CYBMUJFWSA-N 329.429 2.528 50 50 EDGA COC(=O)[C@@]1(SC)[C@H]2CC3(OCCO3)[C@H]1C[C@H]2Br 257355786 CRURLMDCGDFURD-FNOROQBZSA-N 337.235 1.808 50 50 EDGA COCCCNC(=S)NNC(=O)[C@@](C)(OC)c1ccccc1F 408517835 WSPIZBLIZXVMIP-HNNXBMFYSA-N 343.424 1.219 50 50 EDGA Cc1ccc(OCC(=O)NNC(=O)CCOc2ccccc2)cc1 1808097 IOVYRDCDHGVSMW-UHFFFAOYSA-N 328.368 1.990 50 50 EDGA C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)CCl)c2)C1=O 1875377469 FFDXNJLNXPLSJH-MRXNPFEDSA-N 335.791 1.767 50 50 EDGA C[C@@H](Cl)C(=O)N1CCCN(C(=O)c2cc(Cl)cn2C)CC1 1875364804 UPSDIQSDXHYOJD-SNVBAGLBSA-N 332.231 1.980 50 50 EDGA CC(C)NC(=O)CC(=O)N/N=C/c1ccc(Br)cc1 2899530 NAGQNCSLJYIDSC-OVCLIPMQSA-N 326.194 1.814 50 50 EDGA CCOC(=O)/C(=N/Nc1ccc(F)cc1[N+](=O)[O-])C(=O)CCl 25757284 FNTYHDYWGSCYPM-LFIBNONCSA-N 331.687 1.873 50 50 EDGA Cc1scc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1C 225584252 AJXALPZZKVFHDX-WYUUTHIRSA-N 338.385 1.004 50 50 EDGA O=C(N/N=C/c1ccc(O)cc1O)C(=O)Nc1ccc(Cl)cc1 4261140 RSORWAFCMYIDDE-CAOOACKPSA-N 333.731 1.840 50 50 EDGA Cc1c(C(=O)NNC(=O)c2ccccn2)ccc2cnc(C3CC3)n12 1875257851 MIGUEEFCKLMDCN-UHFFFAOYSA-N 335.367 1.990 50 50 EDGA COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)[C@@H](F)Cl 2325880237 ZOPQRHMXZFAZQD-RISCZKNCSA-N 327.743 1.619 50 50 EDGA COc1cccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1 377551 NMRZKQRQPPWMKM-AWEZNQCLSA-N 326.308 1.359 50 50 EDGA COc1cccc(/C=N/NC(=O)Cn2nnc3ccccc32)c1O 228853 QSOGEDRBCVGYCO-RQZCQDPDSA-N 325.328 1.296 50 50 EDGA CC1=C(n2nnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C(C#N)=C(N)O1 438908 HXECNMBAEFNXIM-LLVKDONJSA-N 325.288 1.278 50 50 EDGA CCN(CC)c1ccc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)cc1 100608229 SWEASIFSJJMZML-QUYZQLMHSA-N 343.431 1.885 50 50 EDGA CN(C)c1ccc(/C=N/NC(=O)C2=NNC(=O)[C@H]2c2ccccc2)cc1 102296905 RAJYUWHJSJZASG-DORSJAEJSA-N 349.394 1.472 50 50 EDGA CNC(=S)NNC(=O)[C@H](C)Oc1ccc(Br)cc1 6520860 FKXLTPRCUQNLQF-ZETCQYMHSA-N 332.223 1.342 50 50 EDGA O=C([C@H](F)Cl)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3 2325898670 RWAMZLIVISFAME-WYCDGMCDSA-N 342.720 1.779 50 50 EDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)c1 4295729 QSXZGZXWESXRCG-RGVLZGJSSA-N 325.368 1.884 50 50 EDGA CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[C@@H](C)Cl 1875363563 JPBPXTPMWDHJAU-SNVBAGLBSA-N 326.780 1.872 50 50 EDGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1O 1880745 RCPBGQCWNBZBFH-DJKKODMXSA-N 331.759 1.926 50 50 EDGA O=C(N/N=C\c1ccc([N+](=O)[O-])c(O)c1)c1ccc2c(c1)OCO2 95531960 BSIHQFUMJGPMSH-APSNUPSMSA-N 329.268 1.793 50 50 EDGA CC(C)(C)OC(=O)N1CC2(CCC[C@H](CNC(=O)CCl)O2)C1 1875370033 YETBOCKRYJHRQE-LLVKDONJSA-N 332.828 1.900 50 50 EDGA OCCO[C@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 252430986 XGIKSUJJSGSNBH-YTLHQDLWSA-N 327.652 1.826 50 50 EDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1 4331103 GBYWAMJTCHLRSF-RGVLZGJSSA-N 325.368 1.884 50 50 EDGA Cc1cccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c1 3577611 MGIRZVBXORKNAX-VXLYETTFSA-N 342.351 1.988 50 50 EDGA Cc1nn(C)c(NNC(=O)Cn2cnc(-c3ccccc3)n2)c1C#N 1875350024 YEDUKJBBYJVNNA-UHFFFAOYSA-N 336.359 1.002 50 50 EDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccccc12 50139 HWPHSQDEVNCCQL-QGZVFWFLSA-N 325.324 1.438 50 50 EDGA C[C@]12CSC[C@H]1CN(C(=O)NNC(=O)c1cn3c(n1)CCCC3)C2 2325768747 IGIKWHSLRNFTGI-BZNIZROVSA-N 349.460 1.259 50 50 EDGA CCn1cc(C(=O)NNc2nccc(OC)n2)c(C(F)(F)F)n1 280562763 KNMCGFCWRSNTQB-UHFFFAOYSA-N 330.270 1.477 50 50 EDGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1cccnc1 4639635 YNFMRFXCNXZIPM-HNNXBMFYSA-N 328.397 1.585 50 50 EDGA COc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(C)cc32)cc1 6684601 KXTMEBGGZOEYNH-UHFFFAOYSA-N 339.351 1.855 50 50 EDGA Cc1cnccc1CC(=O)NNC(=O)c1ccc2c(c1)OCCO2 170600636 YJRLQIXOSQEXFS-UHFFFAOYSA-N 327.340 1.165 50 50 EDGA C[C@@H](Cl)C(=O)N1CCOC[C@@H]1c1ncnn1Cc1ccccc1 1875380312 LJEZZWXOJVWKOK-TZMCWYRMSA-N 334.807 1.854 50 50 EDGA Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 3008930 KTWDINGQTXSCCX-LICLKQGHSA-N 326.312 1.992 50 50 EDGA O=C(N/N=C/C=N/NC(=O)c1ccccc1O)c1ccccc1O 2968427 UVSWGKDDEPZULF-BEQMOXJMSA-N 326.312 1.229 50 50 EDGA COC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 101411 VEXAKEBSBMAIOB-DHZHZOJOSA-N 332.337 1.674 50 50 EDGA Cc1nn(C)c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)c1Cl 2762364 ALHBYLHJSBKNDV-UHFFFAOYSA-N 336.735 1.185 50 50 EDGA C[C@]1(C(=O)O)[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NNC(=O)Cc1ccccc1 244764031 PABRTHCETSBUHF-ATZCPQFDSA-N 328.368 1.290 50 50 EDGA Cc1ccc(S(=O)(=O)N2CC(CO)(CBr)C2)cc1 72194331 KQQMWQUXNMGDNO-UHFFFAOYSA-N 334.235 1.373 50 50 EDGA in-vitro O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 2789389 DYZCIRHCAIKCBI-OLZOCXBDSA-N 338.791 1.921 50 50 EDGA O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(F)cc(B(O)O)c1 169744264 JJFABMJRCOSRCL-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA CCOC(=O)CCC[C@@H](Br)C(=O)c1[nH]c(=O)[nH]c1C 4342647 WLOQHPHJLCNRTF-MRVPVSSYSA-N 333.182 1.691 50 50 EDGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)N2CCCCCC2)c1 2315569 VKNGGCWPGZCHSH-LDADJPATSA-N 333.388 1.557 50 50 EDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2543976 FQECXAWWEMSBNK-AWQFTUOYSA-N 339.351 1.604 50 50 EDGA O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1cccc(Cl)c1 135936634 YNIJWSOZPHETTQ-RBJBARPLSA-N 336.775 1.848 50 50 EDGA COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(O)c1 291099 AEENMTBVKLWXSP-TWIVVOHQSA-N 328.324 1.691 50 50 EDGA CC(=O)Nc1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1 4118875 WUFPAAMALUBSPM-MDWZMJQESA-N 336.355 1.352 50 50 EDGA O=Cc1cc(C(=O)N2CCC3(CCCCCC3)C2)ccc1B(O)O 2325873737 RRBPPEQTIMHRIP-UHFFFAOYSA-N 329.205 1.365 50 50 EDGA COc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)ccc1O 291120 PDARJWADCUZXJW-ZJTXRKTBSA-N 328.324 1.691 50 50 EDGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3nc(C)[nH]c(=O)c32)c1 5072913 IHAZPJPFOOTDMZ-CYBMUJFWSA-N 340.339 1.314 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(O)cc3)[C@@H]2C1 5199794 BTYMMWDRUWVTEC-SJORKVTESA-N 331.379 1.747 50 50 EDGA COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@H](C)Cl)c1 1875364277 KGPFHEVHPKHFJF-VIFPVBQESA-N 339.783 1.265 50 50 EDGA C=CCOc1ccc(/C=N/NC(=O)CSc2ncccn2)c(O)c1 2906936 WJGHDJBGEZMLDR-VXLYETTFSA-N 344.396 1.989 50 50 EDGA COc1cc(OC)cc(C(=O)NNC(=S)NCc2ccco2)c1 13518959 UCDILTWKMCJXJL-UHFFFAOYSA-N 335.385 1.606 50 50 EDGA Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)n1 5392752 XOAHDTQCEXGEJF-UHFFFAOYSA-N 340.792 1.763 50 50 EDGA COc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2c(C)cccc21 6684534 DVRLSXMYROFRCE-UHFFFAOYSA-N 339.351 1.855 50 50 EDGA CCOc1cc(/C=N/NC(=O)c2ccccn2)cc([N+](=O)[O-])c1O 35337257 DSTWFDJNEOVWEU-RQZCQDPDSA-N 330.300 1.858 50 50 EDGA O=C(O)[C@@H]1[C@H]2C[C@H]([C@H](Br)[C@H]2Br)[C@@H]1C(=O)O 253389980 HECPLCNVJSYLGU-OPTWKVKHSA-N 341.983 1.565 50 50 EDGA CCc1n[nH]c2c1[C@@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2 4453333 JWBXSFNJBIWXNG-SFHVURJKSA-N 335.367 1.711 50 50 EDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)C1[C@H]2CCCC[C@H]12 100043956 VAFFZMJSLBXIPT-UWVGGRQHSA-N 328.328 1.803 50 50 EDGA CC(C)(C)OC(=O)N(CCOc1ccc(B(O)O)cc1F)C1CC1 230528401 JDNTVADOHAGVFM-UHFFFAOYSA-N 339.172 1.284 50 50 EDGA O=C(COc1ccc(Cl)cc1)NNC(=O)C(=O)Nc1ccccc1 2860078 VMPVUNZJNXTXMY-UHFFFAOYSA-N 347.758 1.505 50 50 EDGA COc1ccc(O)c(/C=N\NC(=O)c2nc3nc(C)cc(C)n3n2)c1 16283395 JQHBEVJSJBVDDC-IUXPMGMMSA-N 340.343 1.219 50 50 EDGA O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc([N+](=O)[O-])o1 2896670 PGMCHQWLQJHZLB-VGOFMYFVSA-N 334.244 1.625 50 50 EDGA O=C(CCN1CCOCC1)NNC(=O)Nc1cccc(Cl)c1 20500333 NLCOQMMLXJBPFU-UHFFFAOYSA-N 326.784 1.215 50 50 EDGA O=C(NNC(=S)NCc1ccccc1)c1ccc2c(c1)OCO2 1015946 SVVARHBQDXSNCL-UHFFFAOYSA-N 329.381 1.724 50 50 EDGA N#CC(=C=N)C(C(=O)c1ccccc1C(=O)OCCO)=C(C#N)C#N 334160788 UJKADHYHRGZYON-UHFFFAOYSA-N 334.291 1.061 50 50 EDGA C[C@H](Cl)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1875363690 SAKQPJIGOCPEJX-CMPLNLGQSA-N 348.827 1.722 50 50 EDGA O=C(NNC(=O)[C@H]1C[C@@H]2C[C@H]1CC2(F)F)c1cn2c(n1)CCCC2 2325792562 SURPHAFABQLVLF-DCAQKATOSA-N 338.358 1.662 50 50 EDGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1 18137518 ATRZEYKVGNFNIL-HNNXBMFYSA-N 339.351 1.919 50 50 EDGA O=C(NCc1ccco1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239174301 PSQXIPJKVJKDLH-ZKSVUJDCSA-N 340.173 1.467 50 50 EDGA COc1ccccc1C(=O)N[C@]1(C(F)(F)F)C(=O)NC(C)=C1C#N 4653822 ZKORDLVSEVLFPA-AWEZNQCLSA-N 339.273 1.653 50 50 EDGA C/C(=N/NC(=O)CC1=NNC(=O)C1)c1ccc(Br)cc1 100064579 UZJRNYWFQDRPOQ-NVNXTCNLSA-N 337.177 1.555 50 50 EDGA COc1ccc(NC(=O)c2ccc(B(O)O)c(Cl)c2)cc1OC 169744042 MGGAAMRUBXTFAR-UHFFFAOYSA-N 335.552 1.289 50 50 EDGA Cc1c(CNC(=O)CCl)cc(CNC(=O)CCl)c(C)c1O 4789072 WXKXYGQZKWEWDN-UHFFFAOYSA-N 333.215 1.719 50 50 EDGA C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)CCl 1776005637 FBZFQLRJYGOIMU-VIFPVBQESA-N 326.846 1.748 50 50 EDGA O=C(Cn1nnc2ccccc21)NNC(=S)Nc1ccccc1 383324 IFICMEPIGRMJNE-UHFFFAOYSA-N 326.385 1.449 50 50 EDGA O=C(N/N=C/c1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1 2920909 FMLRVQUTWXXTLO-VXLYETTFSA-N 343.314 1.686 50 50 EDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2c(Br)cccc21 169746226 WWSBCMYHAIKIPV-UHFFFAOYSA-N 339.982 1.867 50 50 EDGA in-vitro O=C(NNC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(Cl)cc1 245242130 BHCZTRRIGBVUJF-UUWLPUTASA-N 334.759 1.299 50 50 EDGA COC(=O)[C@@H](Br)CC[C@H](Br)C(=O)OC 1710226 HVICCJCVLLCDFQ-WDSKDSINSA-N 331.988 1.640 50 50 EDGA in-vitro O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccn1 175714 ATEWHUKSFRTPJG-CYBMUJFWSA-N 344.758 1.302 50 50 EDGA C[C@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 1002073 UYJYIWJKZXIHAO-VJCPFXPRSA-N 328.284 1.977 50 50 EDGA COC(=O)CN(Cc1cc(Cl)c2c(c1)OCO2)C(=O)CCl 1875364889 XHUYZVMKNIYTCB-UHFFFAOYSA-N 334.155 1.809 50 50 EDGA CCN(CC)c1ccc(/C=N/NC(=O)Cc2c(O)n[nH]c2C)c(O)c1 229878 RFRKPTFQHMTMNH-VCHYOVAHSA-N 345.403 1.668 50 50 EDGA Cc1nc(SCC(=O)NNC(=O)c2cccs2)[nH]c(=O)c1C 13545181 KPPASEJWTLWHNK-UHFFFAOYSA-N 338.414 1.002 50 50 EDGA O=C(CNC(=O)NCc1ccco1)NNC(=O)Nc1ccc(F)cc1 2141530 RBEKQMHTECQIMS-UHFFFAOYSA-N 349.322 1.071 50 50 EDGA O=C1O[C@H]2[C@H]3C[C@@H]([C@@H](C(=O)N4CCCCC4)[C@@H]13)[C@H]2Br 229850026 PXLZBHUORXEGAS-ZXZMWMBJSA-N 328.206 1.570 50 50 EDGA Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)s1 74941650 BQDVXGYGELNDFT-UHFFFAOYSA-N 346.821 1.825 50 50 EDGA Cc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)s1 17067563 CBKBZCSPRFPAPY-KYJZABPNSA-N 329.447 1.178 50 50 EDGA Nc1nnc(CC(=O)N/N=C/c2ccccc2C(F)(F)F)s1 450748 PFRQNCNJJXVHJC-UBKPWBPPSA-N 329.307 1.832 50 50 EDGA CCOC(=O)C(Br)(CBr)C(=O)OCC 3074858 LLEGNNJNUJZXCH-UHFFFAOYSA-N 331.988 1.641 50 50 EDGA COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1O 491809 WORDBAUWWGBVNU-RQZCQDPDSA-N 345.311 1.838 50 50 EDGA Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)NN 34925133 BLYYGTRDDCHLEU-UHFFFAOYSA-N 326.813 1.163 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1 381555 VPMGMSLQIYBBIG-VCHYOVAHSA-N 337.339 1.368 50 50 EDGA O=C(CCc1ccc2c(c1)OCO2)N/N=C1/C(=O)Nc2ccccc21 6557783 CIEGHRHCPJPITO-UHFFFAOYSA-N 337.335 1.821 50 50 EDGA O=C(COc1ccccc1)NNC(=O)c1cc2ccccc2oc1=O 268041 KHEOQJJCLFZKJL-UHFFFAOYSA-N 338.319 1.633 50 50 EDGA COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1 529159 PSRQTSGBVKNQIU-NSHDSACASA-N 343.339 1.102 50 50 EDGA Cc1ccc2c(c1)CC[C@H](C(=O)NNc1c(C#N)c(C)nn1C)O2 1875344497 FTLRIJPRZATWSK-OAHLLOKOSA-N 325.372 1.746 50 50 EDGA O=C(NNC(=S)NCc1ccccc1)c1ccc([N+](=O)[O-])cc1 122128 OGZZLXGLNMXIIY-UHFFFAOYSA-N 330.369 1.904 50 50 EDGA CCOC(=O)/C(=N\Nc1ccc(OC)cc1)C(=O)CBr 3122895 LLHZHAZILLPKIL-VBKFSLOCSA-N 343.177 1.990 50 50 EDGA O=C(Nc1nccs1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239164831 MZOXLTILEBFDPQ-NUJDXYNKSA-N 343.202 1.653 50 50 EDGA O=C(CNC(=O)NCc1ccccc1)N/N=C/c1cccc(O)c1 2141441 CKXHWZULJVPJSJ-RGVLZGJSSA-N 326.356 1.342 50 50 EDGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(N(C)C)cc1 2507246 ZCTZKQZNRYQCSQ-CIAFOILYSA-N 338.411 1.941 50 50 EDGA C[C@@H]1CCCN(C(=O)[C@H](NC(=O)[C@@H](C)Cl)c2cnn(C)c2)C1 1875378267 YLVRYZORWNMYCM-NQBHXWOUSA-N 326.828 1.463 50 50 EDGA CO[C@H]1C[C@H](C(=O)NCCSSCCC(=O)O)C[C@H]1OC 1875388462 BWTRFZPLXXDQAP-RTCCRHLQSA-N 337.463 1.399 50 50 EDGA COc1ccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)cc1 3100619 QEJANWISNDGMRJ-VCHYOVAHSA-N 328.324 1.923 50 50 EDGA O=C1O[C@H]2[C@H]3C[C@H]([C@H]2Br)[C@H](C(=O)N2CCCCC2)[C@@H]13 239174369 PXLZBHUORXEGAS-KUYXLPFXSA-N 328.206 1.570 50 50 EDGA O=C(NNC(=O)N1CCC2(CCCC2)C1)[C@@H]1Cc2ccccc2O1 170644746 GBTSXWKHLQSPFH-HNNXBMFYSA-N 329.400 1.997 50 50 EDGA Cc1nn(C)c(NNC(=O)c2ccc3c(c2)N(C)CCO3)c1C#N 1875345003 ROMVNTLWIJDDRX-UHFFFAOYSA-N 326.360 1.186 50 50 EDGA CC1=C(C(=O)OC(C)C)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 51093 IDXMXTZCRTZTTK-GOSISDBHSA-N 339.351 1.826 50 50 EDGA Cc1cc(C#N)c(C)c(C(=O)NNS(=O)(=O)c2ccccc2)c1 3132244 IOYIUTMOSFSPLN-UHFFFAOYSA-N 329.381 1.798 50 50 EDGA O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(B(O)O)c1 230541727 ALZWEVQTVBFWQA-UHFFFAOYSA-N 325.051 1.517 50 50 EDGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1 377549 NMRZKQRQPPWMKM-CQSZACIVSA-N 326.308 1.359 50 50 EDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1cccnc1 20130332 VLFVPLQEFQAYSK-KGENOOAVSA-N 337.427 1.350 50 50 EDGA CC1CCN(C(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)CC1 239229112 USNKYMWYXVOHGL-PTEOKISQSA-N 342.233 1.816 50 50 EDGA O=C(Cc1nnc(O)c2ccccc12)NNc1ccc(Cl)nn1 735688580 AHFODNBRWQLIOX-UHFFFAOYSA-N 330.735 1.465 50 50 EDGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4261325 YTCQGQAKYBFIRT-VXLYETTFSA-N 342.351 1.988 50 50 EDGA Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H](C)Cl)CC1 1875363719 UVRQONMSBSVUBL-VIFPVBQESA-N 349.840 1.142 50 50 EDGA CC1(C)[C@H](C(=O)NNC(=O)COc2ccccc2)CC[C@@]1(C)C(=O)O 22204597 KSZPFDMBFXXJIX-UGSOOPFHSA-N 348.399 1.740 50 50 EDGA CNC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1 2793309 JJDYZURXUJIZBL-UHFFFAOYSA-N 325.287 1.662 50 50 EDGA O=C(C[C@H]1C(=O)NCCN1C(=O)CCl)Nc1cccc(Cl)c1 85389127 XCVKCJZJQUOLGN-NSHDSACASA-N 344.198 1.234 50 50 EDGA NC(=O)N/N=C1\C(=O)N(CC(=O)Nc2ccccc2)c2ccccc21 100422512 IVVAPLIBLXVPLS-HKWRFOASSA-N 337.339 1.044 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccncc2)c(OC)c1 2915410 NRUDSMCJWFCPBL-VCHYOVAHSA-N 328.328 1.188 50 50 EDGA O=C(CCc1ccccc1)NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 222390891 KNRZWFJGZNCKID-DARAHFNDSA-N 328.368 1.290 50 50 EDGA N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)cc1)C(N)=S 2888420 FYQBMELLHKHUBN-UKTHLTGXSA-N 331.397 1.117 50 50 EDGA NNC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 17071956 YLCDCNGYTKRHNJ-SECBINFHSA-N 345.230 1.634 50 50 EDGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@H]2O)[C@]2(CCCO2)[C@H]1O3 257355640 BUVOCDLIEPMCIL-ICKVOFSCSA-N 344.480 1.767 50 50 EDGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc2c(c1)OCO2 2544355 AIMWBVPIUNVPPX-AWQFTUOYSA-N 339.351 1.604 50 50 EDGA Cn1ncc2c(C(=O)NCCSSCCC(=O)O)ccnc21 1875388972 WUPBTMHGUWYQRC-UHFFFAOYSA-N 340.430 1.554 50 50 EDGA COC(=O)[C@@H](Br)CC[C@@H](Br)C(=O)OC 1710225 HVICCJCVLLCDFQ-OLQVQODUSA-N 331.988 1.640 50 50 EDGA in-vitro O=C(Cc1ccc(Cl)cc1)NNC(=S)NC[C@@H]1CCCO1 15899858 VCGATSXKVZAWGD-LBPRGKRZSA-N 327.837 1.557 50 50 EDGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1OC 3008730 DOQIQNHYAOVZCI-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA C[C@@H](Cl)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 1875364891 XJDMLBPNXDUOAD-GHMZBOCLSA-N 337.807 1.836 50 50 EDGA Cc1ccc(NC(=O)NNC(=O)[C@H]2CC(c3cccnc3)=NO2)cc1 1394621 GEPXYAJYGTXUOQ-OAHLLOKOSA-N 339.355 1.736 50 50 EDGA O=C(Nc1c(Cl)cccc1[N+](=O)[O-])c1cc(F)cc(B(O)O)c1 169744064 SMRJKQIAHFDGKT-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA O=C(NNC(=O)[C@H]1C[C@H]2C[C@@H](O)C[C@H](C2)C1)c1cn2c(n1)CCCC2 2325807651 KASTVZKCDCUTFF-KPWCQOOUSA-N 346.431 1.168 50 50 EDGA Cc1ccnc(NS(=O)(=O)c2ccc(NC=C(C#N)C#N)cc2)n1 2561995 WOJYGGMXEOROID-UHFFFAOYSA-N 340.368 1.929 50 50 EDGA C[C@H](Cl)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 1875364478 NDSIGQBLPHNVGQ-VIFPVBQESA-N 336.866 1.645 50 50 EDGA CC(C)(C)NC(=O)C(=O)N/N=C/c1cccc(Br)c1 2892251 SWMHACZDMOFBSA-OVCLIPMQSA-N 326.194 1.814 50 50 EDGA N#C/C(=C\c1ccncc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 17067210 KTTCDCRVQLFRDH-FMIVXFBMSA-N 328.353 1.275 50 50 EDGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(O)nn1 237834 GNCWWPJNYSIOLA-MKMNVTDBSA-N 337.133 1.414 50 50 EDGA Cc1nn(C)c(NNC(=O)Cc2cc(-c3ccccc3)on2)c1C#N 1875349576 BZVIUPNIOKQMKL-UHFFFAOYSA-N 336.355 1.941 50 50 EDGA O=C(CCl)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 1875375140 RZMFFNDJQHADJW-NSHDSACASA-N 332.809 1.009 50 50 EDGA O=C(CCCl)Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1 2744076 PDJBCKARQXCUCH-JTQLQIEISA-N 334.781 1.608 50 50 EDGA C[C@@H](Cl)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1875364545 NTMIEHBFOVCKSN-SNVBAGLBSA-N 340.836 1.028 50 50 EDGA O=C(O)[C@H]1[C@H](C(=O)O)[C@H]2C[C@H]1[C@H](Br)[C@H]2Br 245242170 HECPLCNVJSYLGU-FQGZZYRYSA-N 341.983 1.565 50 50 EDGA CC(=O)N1C[C@@H](C(=O)NN(C)c2ccccc2)Oc2ccccc21 752504975 PGUMDRICFQJLRO-KRWDZBQOSA-N 325.368 1.968 50 50 EDGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1O 257044 ZYMHRVOFMZQALO-FRKPEAEDSA-N 329.268 1.793 50 50 EDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1 2571812 GBORKTDHYOITRN-GIJQJNRQSA-N 341.323 1.513 50 50 EDGA CCc1ccc(/C=N/NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)s1 17071727 PVKQYYGACRMXBB-BTAWCLGRSA-N 343.474 1.432 50 50 EDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)c1O 4209299 DMRLSEDCKRDKSY-KEBDBYFISA-N 341.367 1.589 50 50 EDGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2O)cc1 4258923 FCSDWEOVBPQGFR-VCHYOVAHSA-N 343.339 1.585 50 50 EDGA CC(C)[C@@H]1CC[C@@H](C)C/C1=N\NC(=O)N[C@H]1CCS(=O)(=O)C1 253422975 ORTSAESZUAHAPA-UKYREWNGSA-N 329.466 1.921 50 50 EDGA CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NNC(=O)C2(C)CCC2)C1 408516638 KMVKWYOHFPHOSG-LBPRGKRZSA-N 339.436 1.971 50 50 EDGA COc1cc(/C=N/NC(=O)c2cccnc2)cc(OC)c1OC(C)=O 227643 VYGQNIFYRYGIGZ-DJKKODMXSA-N 343.339 1.788 50 50 EDGA Cc1cc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)[nH]n1 2258486 LGSHFBZHNALPSZ-UHFFFAOYSA-N 348.160 1.567 50 50 EDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1cccc(O)c1 4963057 RSJKIJGUCYYFID-UHFFFAOYSA-N 326.268 1.387 50 50 EDGA Nc1nc(Cl)cc(NNC(=O)Cc2nnc(O)c3ccccc23)n1 753464183 NHVDXIYPYGVFGL-UHFFFAOYSA-N 345.750 1.047 50 50 EDGA O=C(COc1ccc2c(c1)CCC2)NNC(=S)NCc1ccco1 15528308 WOWDBDBLNXXNLM-UHFFFAOYSA-N 345.424 1.843 50 50 EDGA COc1cccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)c1O 12338747 YOJIHZDMXCCNAY-VCHYOVAHSA-N 339.355 1.893 50 50 EDGA NC(=O)c1ccc(C(=O)NNC(=S)NCCc2ccccc2)cc1 2858357 XRSSDUMJKSXECV-UHFFFAOYSA-N 342.424 1.137 50 50 EDGA C[C@H](Cl)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 1875364040 HOGOSXVRKWVMOW-ONGXEEELSA-N 326.780 1.055 50 50 EDGA COc1ccccc1C(=O)NNC(=O)[C@H]1c2c[nH]nc2CC[C@@H]1C 878789990 LAAPPJKDFNZIPA-ZUZCIYMTSA-N 328.372 1.545 50 50 EDGA CCc1sc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1C 252475187 VNDFMGXCWATZER-DUBDDPSESA-N 348.424 1.903 50 50 EDGA Cc1ccc(C(=O)NNC(=S)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 611961 SXRFTDYSHNAQLS-LLVKDONJSA-N 338.389 1.191 50 50 EDGA Cc1cccc(OCC(=O)NNC(=O)COc2ccccc2C)c1 1801239 ZGPQBAIMTHNIRO-UHFFFAOYSA-N 328.368 1.909 50 50 EDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1 2898188 UXYKVLKKWPGSEP-LICLKQGHSA-N 342.311 1.692 50 50 EDGA CC1(C)[C@@H](C(=O)NNC(=O)COc2ccccc2)CC[C@]1(C)C(=O)O 22204600 KSZPFDMBFXXJIX-FZKQIMNGSA-N 348.399 1.740 50 50 EDGA Cc1cc2c(c(=O)n1C)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 4776461 QSUKQYFWJXLAJX-GOSISDBHSA-N 334.335 1.018 50 50 EDGA Cc1cc2c(cc1C)O[C@H](C(=O)NNc1c(C#N)c(C)nn1C)C2 1875344994 RECCZLSJODBEDC-HNNXBMFYSA-N 325.372 1.664 50 50 EDGA CC[C@@H](CCC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2859621 NYCLIWHSLPURPN-NSHDSACASA-N 337.332 1.176 50 50 EDGA Cc1c(Br)cc(NCC(=O)NN)cc1Br 66324346 RYKLBKBJLKXLIN-UHFFFAOYSA-N 337.015 1.922 50 50 EDGA COc1nn([C@@H](C)C(=O)N/N=C/C=C/c2ccco2)cc1[N+](=O)[O-] 4646330 NYCHDRDKVGWXIG-NUAXORRCSA-N 333.304 1.769 50 50 EDGA O=C(N/N=C/c1ccc2c(c1)OCO2)[C@H]1COc2ccccc2O1 291134 VISGKRUDNQXYME-LQZLHMKNSA-N 326.308 1.705 50 50 EDGA COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)c1 4283363 FVCPNISTSVVUPX-AWQFTUOYSA-N 345.330 1.420 50 50 EDGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(C)c2ccccc21 4653850 HGGUIKFLKALPBS-OVWNDWIMSA-N 335.363 1.878 50 50 EDGA COC(=O)C(C(=O)OC)=C(CBr)CBr 101093195 ZSIUEFRTKFGANI-UHFFFAOYSA-N 329.972 1.419 50 50 EDGA Cc1cccc(-n2cnc(C(=O)NNC(=O)NC3CCCCC3)c2)n1 4002631 PPXYGIAAUQTCCP-UHFFFAOYSA-N 342.403 1.852 50 50 EDGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1 177417 UXBVJNRSQCLRNP-ZUZCKIMGSA-N 327.296 1.885 50 50 EDGA O=C(COc1ccc(F)cc1)NNC(=S)NC(=O)c1ccccc1 2379884 GIVBVVXRPPJOLJ-UHFFFAOYSA-N 347.371 1.540 50 50 EDGA C[C@H](NC(=O)c1ccc(B(O)O)c(C=O)c1)c1csc(C2CC2)n1 2325873445 HNUNKELGJIPCKS-VIFPVBQESA-N 344.201 1.004 50 50 EDGA Cc1scc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c1C 239331286 KKPULQRIIHFBBH-XRRVDJEJSA-N 334.397 1.649 50 50 EDGA Cc1ocnc1C(=O)NNC(=O)c1cc(F)cc(N2CCOCC2)c1 2325783610 LNHTVKGHHHYZGY-UHFFFAOYSA-N 348.334 1.034 50 50 EDGA COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc(F)cc2)C(C#N)=C(N)O1 499893 GYUMIZSTRSSNSY-CQSZACIVSA-N 346.314 1.624 50 50 EDGA CCN1C(=O)c2ccc(C(=O)NNC(=O)c3ccccc3)cc2C1=O 613763 FBSCRNKWAOAMBD-UHFFFAOYSA-N 337.335 1.377 50 50 EDGA CC(=O)OCc1cc([N+](=O)[O-])cc(COC(C)=O)c1OC(C)=O 100153516 OTONBRJUYFCXLE-UHFFFAOYSA-N 325.273 1.646 50 50 EDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1n[nH]c2c1CCC2 4311033 LPKZOOHTFGETAF-GIJQJNRQSA-N 344.371 1.688 50 50 EDGA CC(=O)NNC(=O)c1ccccc1CCN(C)C(=O)OC(C)(C)C 408521800 IYJUIFFEQUUEBE-UHFFFAOYSA-N 335.404 1.877 50 50 EDGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccccc12 1820118 JQUGBSVMGOLEHI-GOSISDBHSA-N 337.335 1.604 50 50 EDGA Nc1cc(O)c([N+](=O)[O-])cc1C(=O)NNC(=O)Cc1ccc(F)cc1 170598453 IJBVHARUGSRGOS-UHFFFAOYSA-N 348.290 1.025 50 50 EDGA CC(C)(C)OC(=O)N1CC2(CCC[C@@H](CNC(=O)CCl)O2)C1 1875370034 YETBOCKRYJHRQE-NSHDSACASA-N 332.828 1.900 50 50 EDGA Cn1c(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1=O 155370127 LKBSSTQPZUQKCU-UHFFFAOYSA-N 343.427 1.753 50 50 EDGA NNC(=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 18161915 VYAWWKGMLLNKPT-NLKGSNSHSA-N 338.415 1.626 50 50 EDGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3nc(C)[nH]c(=O)c32)c1 5072912 IHAZPJPFOOTDMZ-ZDUSSCGKSA-N 340.339 1.314 50 50 EDGA C[C@H](Cl)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 1875364893 XJDMLBPNXDUOAD-QWRGUYRKSA-N 337.807 1.836 50 50 EDGA C[C@@H]1CCCCN1C(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239165293 NVSKZJIGBIMDTK-KQWRFTCOSA-N 342.233 1.958 50 50 EDGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2571846 URPAZAHLLZBQFX-LICLKQGHSA-N 342.311 1.692 50 50 EDGA Cc1c(Cl)c(C(=O)NNC(=S)NCc2ccco2)nn1C 8829081 BHWXIKMNOWENGE-UHFFFAOYSA-N 327.797 1.284 50 50 EDGA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(O)cc1O 4372749 NTXKQYVGLPPODU-IYPWXLATSA-N 345.311 1.924 50 50 EDGA C/C(CC(=O)NCCc1ccccc1)=N\NC(=O)c1cnccn1 5370487 WIBUKTBRHYEKNJ-FYJGNVAPSA-N 325.372 1.331 50 50 EDGA CC(NC(=O)NNC(=O)c1ccncc1)(C(F)(F)F)C(F)(F)F 2277807 CGWWWPZLVNEWBM-UHFFFAOYSA-N 344.215 1.909 50 50 EDGA COc1cccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1O 291080 LZNMAQBJCIHWSM-QANDDYDISA-N 328.324 1.691 50 50 EDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)cc2)cc1 4330538 XLHGRKDCJXEBDC-RGVLZGJSSA-N 341.367 1.584 50 50 EDGA COc1ccc([C@H](CNC(=O)CCl)N2CCOCC2)cc1OC 1116437675 MTVLOKLSVAYOQT-ZDUSSCGKSA-N 342.823 1.432 50 50 EDGA CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21 140025 YKPIWXGMXKYFKP-IBGZPJMESA-N 349.346 1.687 50 50 EDGA CS(=O)(=O)N1C[C@@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 101042915 UQJJYSWVHVITOL-DKXJUACHSA-N 347.072 1.567 50 50 EDGA Cc1cc2c(c(=O)n1C)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2 4776464 QSUKQYFWJXLAJX-SFHVURJKSA-N 334.335 1.018 50 50 EDGA O=C(CCl)N(Cc1ccc2c(c1)OCCO2)CC1(O)CCC1 1875382483 CQSCQIGHRFYWSR-UHFFFAOYSA-N 325.792 1.940 50 50 EDGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC 8951559 QKQZZMYUARSBOD-GFCCVEGCSA-N 326.312 1.005 50 50 EDGA C#CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc(C)c1 4210771 OCCFPTTUSMVFQB-LPYMAVHISA-N 349.390 1.887 50 50 EDGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 1390605 PVWIJNQCLGKHBY-AWEZNQCLSA-N 326.308 1.359 50 50 EDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1c(C)[nH]c2ccccc12 100608185 QDPWLGIITCNEEQ-KBSHCFNASA-N 325.372 1.829 50 50 EDGA O=C(CCn1cnc2ccccc21)N/N=C1\C(=O)Nc2ccccc21 100711692 XBVSHSMXJTXPBO-UHFFFAOYSA-N 333.351 1.899 50 50 EDGA O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])[C@H]1COc2ccccc2O1 35989394 WMIRAXKQMGOZNU-LJZSXMKHSA-N 343.295 1.591 50 50 EDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1 135414 TZSJGNZNIHEPCN-OAHLLOKOSA-N 330.340 1.958 50 50 EDGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1O 2025890 PFHLFSGDRPPAHL-GIJQJNRQSA-N 331.303 1.629 50 50 EDGA COCCCNC(=S)NNC(=O)c1ccc([N+](=O)[O-])c(C)c1 2852545 BIYOLXMWAZAOPQ-UHFFFAOYSA-N 326.378 1.049 50 50 EDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(F)c2)cc1 4326771 CNIQDUJEOQWYDK-KEBDBYFISA-N 329.331 1.714 50 50 EDGA C[C@@H](Cl)C(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1875367318 WRQOTHXDZJJJDM-NQMVMOMDSA-N 333.759 1.582 50 50 EDGA O=C1O[C@H]2[C@H]3C[C@@H]([C@@H](C(=O)N4CCCCC4)[C@H]13)[C@H]2Br 239174370 PXLZBHUORXEGAS-UFFGRJIKSA-N 328.206 1.570 50 50 EDGA C[C@H](Cl)C(=O)N(C)C[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1 1875380031 CMYBIQSDEXVZIV-SRVKXCTJSA-N 343.834 1.545 50 50 EDGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccccc1-n1cccc1 2793122 YHSMOUDPIOPMLE-ZDUSSCGKSA-N 344.440 1.765 50 50 EDGA CCc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cs1 138082621 GYZCOMSSBIXYIP-RBJBARPLSA-N 336.413 1.818 50 50 EDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2O)cc1 4302569 JCBKAMKTDHMZLT-VXLYETTFSA-N 327.340 1.281 50 50 EDGA CN(NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ncc(C(F)(F)F)cc1Cl 5319578 AWBNHLBKJRZDCU-RQJHMYQMSA-N 337.685 1.942 50 50 EDGA Cc1cccc(O[C@H](C)C(=O)NNC(=S)NC[C@H]2CCCO2)c1 17070925 BDTTUFGLQGPPLV-TZMCWYRMSA-N 337.445 1.437 50 50 EDGA Cc1ccc(C(=O)NNC(=S)NCc2ccco2)cc1[N+](=O)[O-] 612015 CBXJXTXFLOWLTM-UHFFFAOYSA-N 334.357 1.805 50 50 EDGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1 3101374 BZILGAWLURRBGG-VXLYETTFSA-N 345.330 1.932 50 50 EDGA Cc1cc(C2CCN(C(=O)NNC(=O)[C@H]3CCO[C@H]3C)CC2)on1 2325818166 ASZDCBVUAJNWNE-AAEUAGOBSA-N 336.392 1.328 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(O)c3)[C@H]2C1 377147 YQEXPWQWQQCOSX-IRXDYDNUSA-N 331.379 1.747 50 50 EDGA O=C(N/N=C/c1ccccn1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 9088747 QAOSEKJKKMIQFQ-DJKKODMXSA-N 335.323 1.964 50 50 EDGA [N-]=[N+]=NCCOCCOCCOCCOCCBr 214945781 YICYFFFKHLMTQK-UHFFFAOYSA-N 326.191 1.758 50 50 EDGA CC1(C)C[C@@H](NC(=O)CI)C(C)(C)N1[O] 100406621 OQIGMSGDHDTSFA-SSDOTTSWSA-N 325.170 1.515 50 50 EDGA C=CCN1C(=O)/C(=C/C(=O)OC)SC1=NNC(=O)c1ccccc1 252679520 NQNZJAWNVOSNGV-HNLNIPGOSA-N 345.380 1.506 50 50 EDGA O=C(O[C@H]1C(=O)OC(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 100077615 OXIKRMSPXYQFOT-ZIAGYGMSSA-N 340.287 1.521 50 50 EDGA OCCO[C@@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 252430984 XGIKSUJJSGSNBH-VZFHVOOUSA-N 327.652 1.826 50 50 EDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 2789386 DYZCIRHCAIKCBI-QWHCGFSZSA-N 338.791 1.921 50 50 EDGA COc1cc(/C=N/NC(=O)Cc2c(O)n[nH]c2C)cc(OC)c1OC 17885876 IXAZPXBBMHREBX-CAOOACKPSA-N 348.359 1.142 50 50 EDGA COc1cc(/C(C)=N/NC(=O)Cn2nnc3ccccc32)ccc1O 71776075 BJIBBUGZJPGLPV-WOJGMQOQSA-N 339.355 1.686 50 50 EDGA CC[C@@H](Oc1cccc(B(O)O)c1C=O)C(=O)Nc1ccc(C)cc1 2325826295 XAOXKIDSRDRNQL-MRXNPFEDSA-N 341.172 1.283 50 50 EDGA O=C1[C@H]2[C@@H]3C[C@H]4[C@H]2C(=O)[C@H](Br)[C@H]4[C@H]3[C@H]1Br 100587851 ASRUXQHQIUKJHH-VCKFUVQDSA-N 334.007 1.793 50 50 EDGA in-vitro CN(C)S(=O)(=O)c1ccc(C(=O)NC(C#N)=C(Cl)Cl)o1 1857800027 WOOJRENSDHCXDT-UHFFFAOYSA-N 338.172 1.430 50 50 EDGA C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(CC)c32)c2ccccc21 4163652 FCEQDJBGBNTLTD-LJQANCHMSA-N 347.378 1.877 50 50 EDGA N#Cc1ccc(C(=O)NNC(=O)NC[C@@H](O)c2ccsc2)cc1 153993460 UESJVZXZLPRLOT-CYBMUJFWSA-N 330.369 1.297 50 50 EDGA Cc1cc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)no1 239321979 IZLXPVZEQYFXHU-QVFRLSQGSA-N 341.161 1.493 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(O)cc3)[C@H]2C1 25584760 BTYMMWDRUWVTEC-DLBZAZTESA-N 331.379 1.747 50 50 EDGA O=C(Nc1ccc(Br)cc1)c1cc(B(O)O)ccc1F 169744255 AWDZAIRJKJXYHF-UHFFFAOYSA-N 337.941 1.520 50 50 EDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 2891510 JPEATMZQNVFCNT-RQZCQDPDSA-N 330.275 1.823 50 50 EDGA CCOc1ccc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 132044 VVHNRTFEDWWMTP-VCHYOVAHSA-N 338.371 1.904 50 50 EDGA CC(=O)N1CCCN(C[C@H]2CCCN(C(=O)[C@@H](C)Cl)C2)CC1 1875375599 FQQKXGYINYFXLG-UKRRQHHQSA-N 329.872 1.407 50 50 EDGA COc1cc(B(O)O)c(C=O)cc1OCc1ccc(Cl)c(F)c1 2325854251 UZFIMDPJSOTTSE-UHFFFAOYSA-N 338.527 1.559 50 50 EDGA CCCc1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)cs1 8682736 WFXKJRFOTSRFIJ-NSHDSACASA-N 327.475 1.989 50 50 EDGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2ccccc2OC)c1 2521932 VHRLLCDQEFYOMY-VCHYOVAHSA-N 343.339 1.498 50 50 EDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccco2)cc1OC 1878189 YJHACQYJACPSDQ-GIJQJNRQSA-N 331.328 1.177 50 50 EDGA COc1ccccc1C(=O)NC(=S)NNC(=O)C1CCCCC1 2862311 MFQKGACWJLCKFW-UHFFFAOYSA-N 335.429 1.911 50 50 EDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1c(C)[nH]c2ccccc12 100608189 QDPWLGIITCNEEQ-BEAUZRKQSA-N 325.372 1.829 50 50 EDGA Cc1ccc2[nH]cc(CCC(=O)NNC(=O)c3cnn(C)c3)c2c1 174968567 QFICYBVZXWWYQX-UHFFFAOYSA-N 325.372 1.604 50 50 EDGA Cc1nn(C)c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 2090024 CVHZICAHMSKLLJ-VGOFMYFVSA-N 332.276 1.309 50 50 EDGA O=C(NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 2756646 BSTNNFQSYDWAAM-UHFFFAOYSA-N 330.256 1.578 50 50 EDGA O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)c(B(O)O)c1 169744599 FYIMYGCNKKABSB-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA NNC(=O)c1ccn(COc2ccc(Cl)cc2Br)n1 2537737 QOKYKSNHNBPYDK-UHFFFAOYSA-N 345.584 1.939 50 50 EDGA Cc1cc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)no1 239321977 IZLXPVZEQYFXHU-MWWKMCRESA-N 341.161 1.493 50 50 EDGA CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC 169744905 TZZGHGKTHXIOMN-UHFFFAOYSA-N 341.553 1.112 50 50 EDGA in-vitro CCc1c(C)nc(SCC(=O)N/N=C/c2ccccc2)[nH]c1=O 3130359 PRKCFOSCZODBED-RQZCQDPDSA-N 330.413 1.883 50 50 EDGA COc1ccccc1NC(=O)C(=O)NNC(=O)c1ccccc1Cl 2965460 WFTLYACKPWHJRA-UHFFFAOYSA-N 347.758 1.748 50 50 EDGA O=Cc1cc(C(=O)N(CC2CCCCC2)C2CC2)ccc1B(O)O 2325873904 YJLPRVUHRNEBQA-UHFFFAOYSA-N 329.205 1.364 50 50 EDGA O=C(COc1ccc2c(c1)CCC2)NNC(=S)NC[C@H]1CCCO1 15900063 PMABKOZSIGYSDN-OAHLLOKOSA-N 349.456 1.228 50 50 EDGA CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2O[C@H]3O[C@H]1C(=O)[C@H](O3)[C@]21CCCO1 257358856 WUHOPCOQOZLLIS-NJPIGMNZSA-N 342.464 1.975 50 50 EDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1 4209701 GRADKZBHPAAFLO-CIAFOILYSA-N 338.411 1.941 50 50 EDGA CC(=O)N(CC(=O)NNC(=O)c1cccc(F)n1)c1ccccc1 1131750714 XPJSXRWELYDRJM-UHFFFAOYSA-N 330.319 1.035 50 50 EDGA Cc1nccn1CC(=O)NN=Cc1cc(Br)ccc1O 252678608 GDEDIMGGNJHWNS-UHFFFAOYSA-N 337.177 1.810 50 50 EDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2)ccc1O 1754340 JGXJXTXKNQSLQK-VXLYETTFSA-N 327.340 1.281 50 50 EDGA biogenic CC(C)=CC(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 496317220 AGCJMRQDISCWFN-LBPRGKRZSA-N 325.409 1.747 50 50 EDGA CC(C)(C)OC(=O)N1CCN(c2cc(Cl)ccc2B(O)O)CC1 242750545 ZRZCDEYZXKCKNK-UHFFFAOYSA-N 340.616 1.077 50 50 EDGA CCOc1cc(C=NNC(=O)Cn2nnc3ccccc32)ccc1O 252320637 HJNMZZVSWXAPDW-UHFFFAOYSA-N 339.355 1.686 50 50 EDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)[C@H]1COc2ccccc2O1 1922831 FTHRCKNDVXGPHI-CNGOAVBNSA-N 343.295 1.591 50 50 EDGA C[C@]1(C(Cl)Cl)[C@H]2CC[C@@]1(CS(=O)(=O)[N@@]1CO1)C(=O)C2 1857524489 ODLXIFKAVXJRBT-ZURSNBDQSA-N 328.217 1.700 50 50 EDGA C[C@@H](Cl)C(=O)Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 1857784253 ZLCPANNYLITKHC-PRHODGIISA-N 349.774 1.013 50 50 EDGA CCOc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1 2900404 WYRCJUZTDMYAJI-UDWIEESQSA-N 326.356 1.247 50 50 EDGA O=C(NN=Cc1cc(Br)ccc1O)c1ccc(=O)[nH]n1 252678626 GNCWWPJNYSIOLA-UHFFFAOYSA-N 337.133 1.002 50 50 EDGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1O 2898089 BCQAUTATHIGDBX-GIJQJNRQSA-N 331.303 1.629 50 50 EDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)ccc1O 2509126 QZJBEUSJEWBQCE-KEBDBYFISA-N 341.367 1.589 50 50 EDGA COC(=O)c1ccc(C(=O)OC)c(NC(=O)CBr)c1 3168999 FMUIELGAUVFKIN-UHFFFAOYSA-N 330.134 1.593 50 50 EDGA C=CCN1C(=O)C(=CC(=O)OC)SC1=NNC(=O)c1ccccc1 2049286279 NQNZJAWNVOSNGV-UHFFFAOYSA-N 345.380 1.506 50 50 EDGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@@H]2O)[C@@]2(CCCO2)[C@H]1O3 257355639 BUVOCDLIEPMCIL-HAGFVWGYSA-N 344.480 1.767 50 50 EDGA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(O)cc1O 4372748 NTXKQYVGLPPODU-VJCPFXPRSA-N 345.311 1.924 50 50 EDGA COc1c(Cl)cc(O)c(Cl)c1C(=O)NNC(=O)C(C)(C)O 952877120 LTSLORAAHKRBSR-UHFFFAOYSA-N 337.159 1.240 50 50 EDGA C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(C)=O)=C1C 528382 DLWOPOLKVGBRDG-IBGZPJMESA-N 335.363 1.902 50 50 EDGA CCn1c(=O)c(C(=O)N/N=C/c2cccnc2)c(O)c2ccccc21 100730158 AIYNWJYRBOWWAA-RGVLZGJSSA-N 336.351 1.886 50 50 EDGA COc1ccc(CC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1 281985 ZELXPUOPBNTZKB-UHFFFAOYSA-N 344.367 1.716 50 50 EDGA COCCCNC(=S)NNC(=O)Cc1c(F)cccc1Cl 2855642 ZQBZQRLNKATPGW-UHFFFAOYSA-N 333.816 1.553 50 50 EDGA C[C@]1(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)CC1(Cl)Cl 239259349 ZBSQHCMLPOZMBH-ZJRQUYTDSA-N 347.198 1.241 50 50 EDGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccccc12 50140 HWPHSQDEVNCCQL-KRWDZBQOSA-N 325.324 1.438 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc1 55626 AWWRKUMJMXEZIG-VCHYOVAHSA-N 328.372 1.896 50 50 EDGA C[C@H](Cl)C(=O)N1CCOC[C@H]1c1ncnn1Cc1ccccc1 1875380310 LJEZZWXOJVWKOK-JSGCOSHPSA-N 334.807 1.854 50 50 EDGA O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccccc1C(F)(F)F 2918478 QZNXFCIXUVNUCO-VNQCRBAESA-N 343.305 1.451 50 50 EDGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)cc1 3126735 AOROMJQHBOYWQK-QGMBQPNBSA-N 329.287 1.643 50 50 EDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)cc1 4347444 BKEXROPEFJZEMI-DJKKODMXSA-N 327.340 1.286 50 50 EDGA COc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 220375 YAMZDHNTKBYIHD-ADFUCPMPSA-N 329.312 1.787 50 50 EDGA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)cc(B(O)O)c1 169744231 GPRYKFCKTRLJTB-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 43190623 BJLYTSCNGRARLU-VXLYETTFSA-N 340.339 1.783 50 50 EDGA O=C(COc1ccc2c(c1)OCO2)NNC(=S)NCc1ccco1 17072522 VALHJEXWPKIXDO-UHFFFAOYSA-N 349.368 1.083 50 50 EDGA O=C(O)[C@@H]1C[C@H](Cl)[C@H](S(=O)(=O)c2ccccc2)C[C@H]1C(=O)O 6668771 NMWKXOFBFYQBTR-WISYIIOYSA-N 346.788 1.632 50 50 EDGA CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccccn2)cc1 612356 VRWFGZOPXSJNKL-UHFFFAOYSA-N 344.396 1.890 50 50 EDGA CN1CCN(C(=O)NNC(=O)COc2ccc3ccccc3c2)CC1 170620873 FXQMUHZUEBNIQU-UHFFFAOYSA-N 342.399 1.207 50 50 EDGA O=C(COc1ccccc1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 4723930 KLAZBTFRUXHJCL-UHFFFAOYSA-N 340.295 1.446 50 50 EDGA CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21 140026 YKPIWXGMXKYFKP-LJQANCHMSA-N 349.346 1.687 50 50 EDGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 43190566 SKKAYSHVDONHLK-LICLKQGHSA-N 326.312 1.992 50 50 EDGA C[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 5985547 PVXINQLIXXVNKB-SECBINFHSA-N 340.792 1.843 50 50 EDGA O=C1C=C/C(=C/NNC(=O)c2cc[n+](Cc3ccccc3)cc2)C(O)=C1 135833318 VHETXFCTBMNACV-LGMDPLHJSA-O 348.382 1.722 50 50 EDGA Cc1ccc(/C=N/NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)s1 17067561 CBKBZCSPRFPAPY-GYBQTFJISA-N 329.447 1.178 50 50 EDGA C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1)c1ccccc1 5532885 NPXYOODAYRFXOT-ZGXHQARYSA-N 339.351 1.712 50 50 EDGA O=S(=O)(NC1CCCCC1)c1ccc(B(O)O)c2ccccc12 230553681 YBRFNQSFPWSYEM-UHFFFAOYSA-N 333.218 1.131 50 50 EDGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 1390604 PVWIJNQCLGKHBY-CQSZACIVSA-N 326.308 1.359 50 50 EDGA O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccncc1 100092766 GICPORQPZIHMMM-UHFFFAOYSA-N 345.156 1.930 50 50 EDGA CC(C)(C)OC(=O)N1C[C@H](I)C[C@H]1C(=O)O 39326149 HUIYBICAHAZFLK-RQJHMYQMSA-N 341.145 1.884 50 50 EDGA CCOC(=O)C(=NNc1ccccc1OC)C(=O)CBr 242687514 ULENLCKOGMGTMH-UHFFFAOYSA-N 343.177 1.990 50 50 EDGA CCc1nc2ccccc2n1CC(=O)NNC(=O)Cc1cccnc1 170621213 GJRYCRFNMWBWHV-UHFFFAOYSA-N 337.383 1.384 50 50 EDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2C)ccc1O 2509127 NYWLSJKDJAJRNF-KEBDBYFISA-N 341.367 1.589 50 50 EDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)[C@@H](O)c1ccccc1 4889401 OZLAQIGGSLZIIT-AWEZNQCLSA-N 340.295 1.101 50 50 EDGA CN1CCN(C(=O)NNC(=O)CCc2ccc(Cl)s2)CC1 225700615 DAVSIEBUIUGMIB-UHFFFAOYSA-N 330.841 1.322 50 50 EDGA COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(OC)c1OC(C)=O 263820 DZAOIJJHXCUWFL-CAOOACKPSA-N 346.343 1.425 50 50 EDGA C=CCNC(=S)NNC(=O)CN1CCCC[C@@H]1c1cccnc1 230593661 MOVPTPRLFAIDQP-CQSZACIVSA-N 333.461 1.290 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 2901863 HMLONXYIYZTUBN-LICLKQGHSA-N 342.311 1.692 50 50 EDGA Cc1ccc(NC(=O)c2ccc(B(O)O)c(Cl)c2)cc1[N+](=O)[O-] 169744562 FFEXQNQOJQSVPG-UHFFFAOYSA-N 334.524 1.489 50 50 EDGA CCN(CC)c1ccc(/C=N\NC(=O)c2nc([N+](=O)[O-])n[nH]2)cc1 32678396 LMSOYYAIIJAKEL-DHDCSXOGSA-N 331.336 1.323 50 50 EDGA CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(Br)cc21 169746236 RMYFCWUHNRAJJC-UHFFFAOYSA-N 339.982 1.867 50 50 EDGA in-vitro COc1cccc([C@H]2C[C@@H]2C(=O)NNc2c(C#N)c(C)nn2C)c1 1875349696 JDQXQDHSOXCPRS-KGLIPLIRSA-N 325.372 1.856 50 50 EDGA Cc1nn(C)c(NNC(=O)C[C@H]2OCCc3ccsc32)c1C#N 1875345196 VOQVPWGREVKUSO-GFCCVEGCSA-N 331.401 1.809 50 50 EDGA CC(=O)Oc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1097919 DATBHKBUQRJRHN-UHFFFAOYSA-N 343.295 1.595 50 50 EDGA O=C(CNC(=O)NCc1ccco1)N/N=C/c1ccccc1Cl 3091522 YQBIOWQRKWOHCR-UFWORHAWSA-N 334.763 1.883 50 50 EDGA O=S1(=O)C[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]2C1 101138098 QVPQRNAYHQCIFN-YWIQKCBGSA-N 332.057 1.968 50 50 EDGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 9088816 JSDDIFGGASGVBC-DJKKODMXSA-N 335.323 1.964 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(O)cc3)[C@@H]2C1 25584754 BTYMMWDRUWVTEC-IAGOWNOFSA-N 331.379 1.747 50 50 EDGA Cc1nn(C)c(C)c1[C@H]1[C@H](CNC(=O)[C@H](C)Cl)CC(=O)N1C 1875375377 ASJBOFQDXDZROD-YLGCSUCGSA-N 326.828 1.300 50 50 EDGA CCC(CC)n1ncc(C(=O)NNC(=O)N2CCN(C)CC2)c1C 278533663 DOQPOYXHXQISDJ-UHFFFAOYSA-N 336.440 1.154 50 50 EDGA COc1ccc([C@@H]2C[C@H]2C(=O)NNc2c(C#N)c(C)nn2C)cc1 1875349794 MYHPVKMMFFSJMR-UONOGXRCSA-N 325.372 1.856 50 50 EDGA CCc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)s1 17071728 PVKQYYGACRMXBB-ZRRZQRFHSA-N 343.474 1.432 50 50 EDGA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)COc1ccccc1)OC2=O 4810791 JIEJAONKFLGRJT-MSOLQXFVSA-N 346.383 1.335 50 50 EDGA NNC(=O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 6322354 MXFXAIPBLXYVST-UHFFFAOYSA-N 328.195 1.316 50 50 EDGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)N[C@H]1CCS(=O)(=O)C1 1875390618 IKNQMFZIFSCKKF-IVJAVIMVSA-N 325.434 1.285 50 50 EDGA O=C(CNC(=O)c1ccncc1)N/N=C/c1c(O)ccc2ccccc12 2840008 HLIYYKJKZGDBRW-SSDVNMTOSA-N 348.362 1.821 50 50 EDGA COc1sc(S(C)(=O)=O)cc1S(=O)(=O)CCCCl 4745325 NFRIREQMNVBVPJ-UHFFFAOYSA-N 332.852 1.563 50 50 EDGA Cc1cccc(O[C@@H](C)C(=O)NNC(=S)NC[C@@H]2CCCO2)c1 17070924 BDTTUFGLQGPPLV-JSGCOSHPSA-N 337.445 1.437 50 50 EDGA Cn1cc(Br)c(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)n1 256733 FUYWQRJQMHGMKO-UUILKARUSA-N 342.109 1.448 50 50 EDGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2566428 WPXAABQLMAAPEY-LICLKQGHSA-N 326.312 1.992 50 50 EDGA COc1ccc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)cc1OC 100608197 PLGJYOUDOKIMJT-UDPFGDFPSA-N 332.360 1.056 50 50 EDGA COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1[N+](=O)[O-] 233709 MKGIHSSXKYPFND-CAOOACKPSA-N 347.356 1.636 50 50 EDGA CCOc1cc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)ccc1O 100668366 FLRPQUQLDIEOOU-UWONZBIMSA-N 332.360 1.143 50 50 EDGA Cc1cc(C(=O)N/N=C/c2ccc(I)o2)[nH]n1 18241810 UAHXXMFFROBFNV-LFYBBSHMSA-N 344.112 1.680 50 50 EDGA CCOC(=O)C1=C(C)N(C)C(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 528346 HJWGXQNMTCDCHK-SFHVURJKSA-N 339.351 1.320 50 50 EDGA Cc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)o1 20129838 FAHAUNHHJJPHTM-DEDYPNTBSA-N 340.427 1.856 50 50 EDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239009568 AVKVTROIMBJUTG-UOVKNHIHSA-N 348.786 1.553 50 50 EDGA Cc1cc2c(c(=O)[nH]1)[C@H]([C@@H]1C(=O)Nc3ccccc31)C(C#N)=C(N)O2 221529966 FEJULTUTFBRIBH-UONOGXRCSA-N 334.335 1.589 50 50 EDGA CCOc1cc(/C=C(\C#N)C(=O)NCCN2CCOCC2)ccc1O 33089260 TWAIOCFUGVBMEN-RVDMUPIBSA-N 345.399 1.146 50 50 EDGA COC(=O)[C@@H](CI)NC(=O)OC(C)(C)C 2558987 UGZBFCCHLUWCQI-ZCFIWIBFSA-N 329.134 1.488 50 50 EDGA in-vitro Cc1ccc2cc(/C=N/NC(=O)CN3CCOCC3)c(Cl)nc2c1 13111359 PEQYTZSOCIWBET-VXLYETTFSA-N 346.818 1.979 50 50 EDGA C/C(CN1C(=O)c2ccccc2C1=O)=N/NC(=O)c1ccccc1O 4737694 AHKNILJRPCFBAH-ODLFYWEKSA-N 337.335 1.794 50 50 EDGA CC(C)(C)OC(=O)N1CCC(COc2cccc(B(O)O)c2)CC1 169746743 GGYHINILIVWLOA-UHFFFAOYSA-N 335.209 1.392 50 50 EDGA in-vitro Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc2c(c1)OCO2 2566429 LHJHHLGPUWEBGX-GIJQJNRQSA-N 325.324 1.813 50 50 EDGA CCOc1ccc(CC(=O)NNC(=S)NC[C@H]2CCCO2)cc1 6946640 OTIRDLQPPKBUBE-CQSZACIVSA-N 337.445 1.302 50 50 EDGA COC(=O)[C@@H](CCI)NC(=O)OC(C)(C)C 39177615 VYAWQKJZQJHWPR-SSDOTTSWSA-N 343.161 1.878 50 50 EDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)Cc1cccn1C 230833 OJYZQFFUPQXPCN-WOJGMQOQSA-N 331.372 1.744 50 50 EDGA COc1cccc(/C=N\NC(=O)Cn2nnc3ccccc32)c1OC 13633140 TYGHDLWAAPUCFN-ZDLGFXPLSA-N 339.355 1.599 50 50 EDGA CCOc1cc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)ccc1O 100668363 FLRPQUQLDIEOOU-UDPFGDFPSA-N 332.360 1.143 50 50 EDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 4651843 DCJKKDCWRRGGPX-CHWSQXEVSA-N 336.775 1.697 50 50 EDGA C[C@H](Oc1cccc(F)c1F)C(=O)N1CCN(C(=O)CCl)CC1 1875364613 YSIHGFLCYFCQHK-JTQLQIEISA-N 346.761 1.642 50 50 EDGA C[C@]1(C(=O)NNC(=S)NC[C@@H]2CCCO2)CC1(Cl)Cl 2853462 ZUIZJYQOZTUDAN-OIBJUYFYSA-N 326.249 1.245 50 50 EDGA CCn1ncc(NC(=S)NNC(=O)CCn2cc(C)cn2)c1C 2802826 VNOJDHMMJYQVQV-UHFFFAOYSA-N 335.437 1.124 50 50 EDGA COc1c(C)ccc(NC(=O)c2ccc(B(O)O)c(C=O)c2)c1C 2325873854 WMVRRDHDOGNXGN-UHFFFAOYSA-N 327.145 1.057 50 50 EDGA CC(=O)O[C@@H]1CC[C@@H]2[C@H](OC(C)=O)CC[C@H]1N2C(=O)[C@H](F)Cl 2325898767 ZCNBNVVEAPQFFZ-VEGXAWMVSA-N 335.759 1.538 50 50 EDGA O=C(CCl)N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 1875363652 PJHDFEVCNVFTHA-UHFFFAOYSA-N 332.734 1.811 50 50 EDGA COc1cc(/C=N/NC(=O)CC(=O)NC(C)C)cc(OC)c1OC 2911766 PEBIBAJABIMRBK-RQZCQDPDSA-N 337.376 1.077 50 50 EDGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cccc(O)c1 2691838 SBPGOMUGJYQOOV-DJKKODMXSA-N 331.759 1.926 50 50 EDGA CC(C)(C)N1C[C@@H](C(=O)NCCSSCCC(=O)O)CC1=O 1875389231 GWEJONGZKUOOFB-JTQLQIEISA-N 348.490 1.606 50 50 EDGA CCOC(C)(OCC)C(=O)NNC(=O)Nc1sc(C)nc1C 225852903 OBXLNYJGMKGUSP-UHFFFAOYSA-N 330.410 1.702 50 50 EDGA NNC(=O)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20218531 XSXVLPQGBWGWDB-LURJTMIESA-N 337.689 1.301 50 50 EDGA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(B(O)O)c(Cl)c1 169744579 UHTCBXNNSYNMOG-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1OC 2903732 KVSMJOUFISXNOO-VXLYETTFSA-N 345.330 1.932 50 50 EDGA Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(O)cc2O)n1 435500 ICBCWHATLSVTMS-FRKPEAEDSA-N 332.385 1.747 50 50 EDGA Cc1nn(C)c(NNC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c1C#N 1875345885 LRZJXJFUHQDHLP-CHWFTXMASA-N 343.309 1.399 50 50 EDGA O=C(CCc1ccccc1)NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 239331375 KNRZWFJGZNCKID-WMHQRMGPSA-N 328.368 1.290 50 50 EDGA CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccccc2)c1C 568514 PGMHOFOLIPZBAO-UHFFFAOYSA-N 329.356 1.883 50 50 EDGA Cc1ccc([C@]2(SCCO)OC(N)=C(C#N)C2=C(C#N)C#N)cc1 257540541 SHLOICOUGXVOLJ-QGZVFWFLSA-N 338.392 1.941 50 50 EDGA COc1ccccc1C(=O)NNC(=O)[C@H]1c2c[nH]nc2CC[C@H]1C 878789989 LAAPPJKDFNZIPA-MEBBXXQBSA-N 328.372 1.545 50 50 EDGA O=C(NNC(=S)NCCc1cccs1)c1cn2ccccc2n1 170593982 JFCLKDGTTGVDFQ-UHFFFAOYSA-N 345.453 1.747 50 50 EDGA CC(C)c1ccc(NNC(=O)c2cc(S(N)(=O)=O)ccn2)cc1 1875339541 NZHKPZVUCZGGMR-UHFFFAOYSA-N 334.401 1.609 50 50 EDGA CC(C)=C[C@@H]1[C@H](C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)C1(C)C 252679121 IBHIDLWOQKFEEE-YRGRVCCFSA-N 342.461 1.197 50 50 EDGA Cc1cccc(C(=O)NNC(=O)c2c(O)c3ccccc3[nH]c2=O)c1 6493812 KSCPSLIJTNJHKH-UHFFFAOYSA-N 337.335 1.617 50 50 EDGA CCCCNC(=S)NNC(=O)c1nn(C)c(C)c1Br 2111763 VJFSTRGDBSIGPT-UHFFFAOYSA-N 348.270 1.400 50 50 EDGA CCCn1c(=O)c(C(=O)NNC(=O)CCl)c(O)c2ccccc21 100675121 MICGZUJBGZJDHJ-UHFFFAOYSA-N 337.763 1.117 50 50 EDGA O=C(N/N=C/c1ccc2c(c1)OCO2)[C@@H]1COc2ccccc2O1 291132 VISGKRUDNQXYME-YESQQZSKSA-N 326.308 1.705 50 50 EDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)c1 4210852 YQKCAFZJNJSJPY-DJKKODMXSA-N 327.340 1.286 50 50 EDGA Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\NC(=O)c1ccccc1O 15018503 JRBWWHBDDQGFQV-UHFFFAOYSA-N 340.295 1.695 50 50 EDGA O=C(Nc1ccccc1C(F)(F)F)c1cccc(B(O)O)c1F 169744696 QFUHFBCZRMPPQK-UHFFFAOYSA-N 327.042 1.777 50 50 EDGA C[C@H](Cl)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(c2ccccc2)C1 1875368552 AACWYGYZYRZPAC-CORIIIEPSA-N 327.833 1.439 50 50 EDGA COc1ccnc(NNC(=O)c2cnc3c(F)cc(F)cc3c2O)n1 225413005 UEQFUFFMPJSNFG-UHFFFAOYSA-N 347.281 1.774 50 50 EDGA O=C(CCl)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1875375271 WXOBHEAMBCZCBG-UHFFFAOYSA-N 329.180 1.112 50 50 EDGA O=C1O[C@H]2[C@H]3C[C@H]([C@H]2Br)[C@H](C(=O)N2CCCCC2)[C@H]13 239174371 PXLZBHUORXEGAS-WUFAPUTGSA-N 328.206 1.570 50 50 EDGA O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2 245227744 NGTNPOWMSTVRGR-IYXNAXCFSA-N 326.400 1.615 50 50 EDGA CCN1C(=O)CC[C@H](CNC(=O)[C@H](C)Cl)[C@H]1c1cnn(C)c1 1875376001 LMHGQHBRYNFPBZ-WDMOLILDSA-N 326.828 1.463 50 50 EDGA C[C@@H]1CCCN(C(=O)[C@@H](NC(=O)[C@@H](C)Cl)c2cnn(C)c2)C1 1875378269 YLVRYZORWNMYCM-WZRBSPASSA-N 326.828 1.463 50 50 EDGA O=C(CCc1ccccc1)NNC(=O)CNC(=O)C1CCCCC1 3105613 FUDVXSDSEJYIOK-UHFFFAOYSA-N 331.416 1.463 50 50 EDGA Cc1ccccc1C(=O)N/N=C1\C(=O)N(CN(C)C)c2ccccc21 13387803 JNGXDRAOXVOIBC-JZJYNLBNSA-N 336.395 1.995 50 50 EDGA CN1C(=O)/C(=N\NC(=O)c2cccc(O)c2)c2cc([N+](=O)[O-])ccc21 4963313 APBCAHFLZDGHJY-VKAVYKQESA-N 340.295 1.411 50 50 EDGA C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)NN 66324349 KNSFUMMCJLHWSO-LLVKDONJSA-N 333.417 1.514 50 50 EDGA C[Si](C)(C)CCOCn1c(B(O)O)cc2c(Cl)ccnc21 196823187 ASPZZZQISULCMI-UHFFFAOYSA-N 326.665 1.682 50 50 EDGA N#Cc1ccc(C(=O)NNC(=O)NC[C@H](O)c2ccsc2)cc1 153993351 UESJVZXZLPRLOT-ZDUSSCGKSA-N 330.369 1.297 50 50 EDGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)ccc1O 4229904 GYMBDZXWHVUQLD-KEBDBYFISA-N 341.367 1.589 50 50 EDGA CCN(CC)C(=O)NCC(=O)NNC(=O)Nc1ccc(C)cc1C 2167593 TWXWAPBUVJNUJH-UHFFFAOYSA-N 335.408 1.508 50 50 EDGA Cc1cc(C)cc(NC(=O)c2cc(Br)cc(B(O)O)c2)c1 169744783 NZCQBGZQRAAVME-UHFFFAOYSA-N 348.005 1.998 50 50 EDGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 2552605 PBMDSMQIZRCYNU-VXLYETTFSA-N 340.339 1.783 50 50 EDGA CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NNC(=O)C2(C)CCC2)C1 408516637 KMVKWYOHFPHOSG-GFCCVEGCSA-N 339.436 1.971 50 50 EDGA CN1C(=O)/C(=N\NC(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc21 192882 RINRQDAPMMQQGX-FXBPSFAMSA-N 346.346 1.639 50 50 EDGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1cccnc1 5020160 YNFMRFXCNXZIPM-OAHLLOKOSA-N 328.397 1.585 50 50 EDGA CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]2(CO)CNC(=O)CCl 1875376317 SFSMHRPKWNGXIB-INIZCTEOSA-N 346.855 1.741 50 50 EDGA O=C(NNC(=O)c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 46079 KUVPUGAJBWXDMP-UHFFFAOYSA-N 329.268 1.368 50 50 EDGA CCn1c(=O)c(C(=O)NNC(=O)C(C)(C)C)c(O)c2ccccc21 100705015 UXVCWNYBTRJRBW-UHFFFAOYSA-N 331.372 1.534 50 50 EDGA C[C@@H](Cl)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 1875364039 HOGOSXVRKWVMOW-MWLCHTKSSA-N 326.780 1.055 50 50 EDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2sccc2C)C1 13320766 LHJCQAMRGREXOS-DGGAMASNSA-N 343.474 1.568 50 50 EDGA Cn1nc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1NC(=O)Cl 261508475 SXCDKJOKTMHSCD-UHFFFAOYSA-N 344.803 1.643 50 50 EDGA Nc1nnnn1CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 260784 SHOMGTZHJMXFCE-REZTVBANSA-N 345.750 1.319 50 50 EDGA C[C@@H](Cl)C(=O)N(C)[C@H]1CCCN(Cc2noc(C3CC3)n2)C1 1875364463 MYTVMOJSQPHQHW-PWSUYJOCSA-N 326.828 1.997 50 50 EDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 4651841 DCJKKDCWRRGGPX-OLZOCXBDSA-N 336.775 1.697 50 50 EDGA C=CCN1C(=O)/C(=C\C(=O)OC)SC1=NNC(=O)c1ccccc1 252679521 NQNZJAWNVOSNGV-LORKPXQXSA-N 345.380 1.506 50 50 EDGA O=C(O[C@@H]1[C@H](Br)C[C@]2(O)C[C@H]1OC2=O)c1ccccc1 43763491 XXZUFZHOWAVZLD-BIAAXOCRSA-N 341.157 1.426 50 50 EDGA OB(O)c1ccc(OCc2ccccc2)nc1OCc1ccccc1 169934771 KWEZFPLDOCKBPB-UHFFFAOYSA-N 335.168 1.919 50 50 EDGA C[C@H](NS(=O)(=O)C1(CCl)CC1)C(=O)NCc1ccccc1 1775989558 PEOPGMQTIDFDJC-NSHDSACASA-N 330.837 1.382 50 50 EDGA COCCCNC(=S)NNC(=O)CSCc1cccc(F)c1 7061815 PCGFYPVKXNKAHT-UHFFFAOYSA-N 345.465 1.591 50 50 EDGA CCCN(NS(=O)(=O)c1c(C)nn(C)c1C)C(=O)OC(C)(C)C 253432028 ZNJVQXCCVFAPGK-UHFFFAOYSA-N 346.453 1.877 50 50 EDGA CCOC(C)(OCC)C(=O)NNC(=O)c1cc2ccccc2oc1=O 408514418 DLNRDBGVQUAIMH-UHFFFAOYSA-N 348.355 1.343 50 50 EDGA CC(C)(C)OC(=O)N1CCN(CCI)CC1 190949988 AQGAOJKJODXASH-UHFFFAOYSA-N 340.205 1.974 50 50 EDGA C[C@@H]1CCCCN1C(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239165295 NVSKZJIGBIMDTK-RYUAPSCTSA-N 342.233 1.958 50 50 EDGA CCN(CC)c1ccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)c(O)c1 100188127 IYEKUTZZEZVJDI-XKYMITNMSA-N 345.403 1.201 50 50 EDGA CC(=O)Nc1ccc(OCC(=O)N/N=C(\C)c2ccncc2)cc1 17066734 ZNZIQYDYOAJZKN-UDWIEESQSA-N 326.356 1.959 50 50 EDGA COc1ccc(/C=N/NC(=O)Cc2cccn2C)c(OC)c1OC 230830 DCOBUNDEYUDBAE-WOJGMQOQSA-N 331.372 1.744 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(O)c(O)c3)[C@H]2C1 100742080 VPMWOQRJIKLDOQ-WMLDXEAASA-N 347.378 1.453 50 50 EDGA CN(CCOCc1ccccc1)C(=O)NNC(=O)Cc1cccnc1 119674524 PHHAKJPMOPLGBM-UHFFFAOYSA-N 342.399 1.514 50 50 EDGA O=C(NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)NC1CCCCC1 1394668 YZVLRWHRYNQGNR-AWEZNQCLSA-N 331.376 1.238 50 50 EDGA Cc1cc(C)nc(SCC(=O)NN=Cc2ccc(O)cc2O)n1 252320643 ICBCWHATLSVTMS-UHFFFAOYSA-N 332.385 1.747 50 50 EDGA C=CCNC(=S)NNC(=O)CN1CCCC[C@H]1c1cccnc1 230593695 MOVPTPRLFAIDQP-AWEZNQCLSA-N 333.461 1.290 50 50 EDGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(O)cc1O 4209325 PFQZTCVDERCDAW-UFWORHAWSA-N 347.758 1.631 50 50 EDGA Cc1cccc(O[C@@H](C)C(=O)NNC(=S)NC[C@H]2CCCO2)c1 17070926 BDTTUFGLQGPPLV-GXTWGEPZSA-N 337.445 1.437 50 50 EDGA CCn1ncc(NC(=S)NNC(=O)Cn2nc(C)cc2C)c1C 2802784 OPNBTYVTKSLMQK-UHFFFAOYSA-N 335.437 1.043 50 50 EDGA COc1cccc(/C=N/NC(=O)c2nn(C)cc2Br)c1 482712 LPOZPVXOAIKEQX-VIZOYTHASA-N 337.177 1.955 50 50 EDGA COc1ccccc1C(=O)NCC(=O)N/N=C(\C)c1ccccc1 4989912 AESVHSBFKIZUOI-DEDYPNTBSA-N 325.368 1.965 50 50 EDGA CN(C)c1ccc(/C=C(\C#N)C(=O)NCCN2CCOCC2)cc1 19898821 HXWVNGLOIDPRDM-DTQAZKPQSA-N 328.416 1.108 50 50 EDGA C[C@]1(C(Cl)Cl)[C@H]2CC[C@@]1(CS(=O)(=O)[N@]1CO1)C(=O)C2 1857524487 ODLXIFKAVXJRBT-OAIMEQBNSA-N 328.217 1.700 50 50 EDGA C[C@@]1(C(Cl)Cl)[C@H]2CC[C@@]1(CS(=O)(=O)[N@]1CO1)C(=O)C2 1857524486 ODLXIFKAVXJRBT-DWBRFPOHSA-N 328.217 1.700 50 50 EDGA NNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 4719754 BVRDSUWRWOSHPB-UVTDQMKNSA-N 326.312 1.356 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2O)cc1 4303360 CFSIVZVBYCVFRC-RQZCQDPDSA-N 329.312 1.195 50 50 EDGA Cc1ccc(S(=O)(=O)N2CCC(=O)[C@@H](Br)C2)cc1 3053513 IMBKJKPYHSSCHX-NSHDSACASA-N 332.219 1.722 50 50 EDGA CN(CC(=O)OC(C)(C)C)NC(=O)Oc1ccc([N+](=O)[O-])cc1 100166868 SHKWSUSHNZGYMJ-UHFFFAOYSA-N 325.321 1.872 50 50 EDGA CCCCC(=O)NC(=S)NNC(=O)COc1ccc(OC)cc1 5050968 JLRLUTZEYZFMTE-UHFFFAOYSA-N 339.417 1.286 50 50 EDGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccncc3)[C@H]2C1 13511154 YSDSGEOWRICUBQ-DLBZAZTESA-N 330.395 1.827 50 50 EDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1 291023 VRLGSFMSJHGVMV-ZUZCKIMGSA-N 327.296 1.885 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 4331046 YDDPEXODLFIDLR-LICLKQGHSA-N 342.311 1.692 50 50 EDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(F)cc2)cc1 2532847 HNGATUCXGLBUKW-KEBDBYFISA-N 329.331 1.714 50 50 EDGA CCOc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)ccc1O 228872 HJNMZZVSWXAPDW-VCHYOVAHSA-N 339.355 1.686 50 50 EDGA Cc1cc(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 6527832 GXRXQVQMYMDNPV-UHFFFAOYSA-N 341.370 1.588 50 50 EDGA COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)c1 2570734 UTZPYPGZQRBPGS-VCHYOVAHSA-N 343.339 1.498 50 50 EDGA Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\NC(=O)c1cccnc1 15018501 MJBXTOZEWQGMDP-UHFFFAOYSA-N 325.284 1.384 50 50 EDGA CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@]1(C#N)C(N)=C(C#N)C#N 254772084 VNPUEYKXIVLMAX-QGTPRVQTSA-N 331.335 1.627 50 50 EDGA CCNC(=S)NNC(=O)[C@H](C)Oc1ccc(Br)cc1 15845637 OLDOHJOIRNXSOV-QMMMGPOBSA-N 346.250 1.732 50 50 EDGA CCc1cc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)cs1 138082508 GYZCOMSSBIXYIP-WTTBSCSTSA-N 336.413 1.818 50 50 EDGA O=C(NNc1ccccc1C(F)(F)F)C1CC2(C1)CS(=O)(=O)C2 1346256679 SWIDOIANSKXARQ-UHFFFAOYSA-N 348.346 1.973 50 50 EDGA COc1ccc(NC(=O)c2ccc(Cl)c(B(O)O)c2)cc1OC 169744150 FHTFOXHTBKWTPM-UHFFFAOYSA-N 335.552 1.289 50 50 EDGA COc1cccc([C@@H]2C[C@H]2C(=O)NNc2c(C#N)c(C)nn2C)c1 1875349697 JDQXQDHSOXCPRS-UONOGXRCSA-N 325.372 1.856 50 50 EDGA O=C(CCl)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 1118492063 FGGHBJMOLRWNQS-UHFFFAOYSA-N 328.747 1.834 50 50 EDGA Cc1nn(C)c(NNC(=O)c2c[nH]nc2-c2ccsc2)c1C#N 1875349854 PPTLFHKQLYTCOF-UHFFFAOYSA-N 327.373 1.809 50 50 EDGA Cn1cc(C(=O)N/N=C/c2ccc(Br)cc2)ccc1=O 436497 GTQNCHKWKSZELT-LZYBPNLTSA-N 334.173 1.912 50 50 EDGA COc1cc(/C=N/NC(=O)c2snnc2C)cc(OC)c1OC 5792571 UDDRTRQBAAAIFX-VIZOYTHASA-N 336.373 1.636 50 50 EDGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 4189088 WKQXQIHKGALUHT-MRXNPFEDSA-N 340.295 1.372 50 50 EDGA O=Cc1c(OCc2ccc(F)c(C(F)(F)F)c2)cccc1B(O)O 2325826683 JNGPCXFYOGJNHM-UHFFFAOYSA-N 342.053 1.916 50 50 EDGA COc1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)c(OC)c1OC 13322294 YCSRCHFAFUAYHP-GIJQJNRQSA-N 346.339 1.888 50 50 EDGA O=C(C[n+]1ccccc1)NNC(=O)c1cccc(Br)c1 4180228 UKEXPKCYLLJQJO-UHFFFAOYSA-O 335.181 1.198 50 50 EDGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccccc1O 4210290 AUOQUQAYZYJZEQ-DJKKODMXSA-N 331.759 1.926 50 50 EDGA COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(C)cc1 2543994 ZCGLYRMOLFQODL-RGVLZGJSSA-N 325.368 1.884 50 50 EDGA COC(=O)c1ccccc1OCC(=O)NNC(=O)c1ccc(O)cc1 332693 ZQQLVPUCIOFTCT-UHFFFAOYSA-N 344.323 1.019 50 50 EDGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1 4229233 LXVHYBCOTLZMMM-RGVLZGJSSA-N 348.362 1.925 50 50 EDGA C[C@@H]1CCCCN1C(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239165292 NVSKZJIGBIMDTK-BIYAMIEUSA-N 342.233 1.958 50 50 EDGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2OC)cc1 566045 QYCXGBZDHZPEKN-VXLYETTFSA-N 343.339 1.925 50 50 EDGA COc1ccc(/C=N/NC(=O)Cc2c(O)n[nH]c2C)c(OC)c1OC 17950872 UCWIQCLPHSEPSX-CAOOACKPSA-N 348.359 1.142 50 50 EDGA COc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 8228773 WXNWMVIUWKFPQH-UHFFFAOYSA-N 340.295 1.690 50 50 EDGA CSCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325710621 KKTAMOGQTUMUHR-WCQYABFASA-N 335.429 1.107 50 50 EDGA COc1ccc(Cl)cc1C(=O)NNC(=S)NC[C@H]1CCCO1 7622947 SUWJIZMCSHFBAF-SNVBAGLBSA-N 343.836 1.637 50 50 EDGA COc1ccc(OC)c(NC(=O)NNC(=O)c2ccc(O)cc2)c1 3086069 FUSVCSHPKDVBSF-UHFFFAOYSA-N 331.328 1.876 50 50 EDGA COc1cccc(/C=N/NC(=O)Cn2nnc3ccccc32)c1OC 275616 TYGHDLWAAPUCFN-VCHYOVAHSA-N 339.355 1.599 50 50 EDGA O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)NNC(=O)[C@@H]1CC12CCC2 333732 VUFGFUNPFIDARC-NSHDSACASA-N 333.300 1.244 50 50 EDGA CCn1c(=O)c(C(=O)N/N=C/c2ccncc2)c(O)c2ccccc21 100730081 HMBRDXPBMGINCV-RGVLZGJSSA-N 336.351 1.886 50 50 EDGA O=C(N/N=C/c1cccnc1)c1c(O)c2cccc3c2n(c1=O)CCC3 100826004 RRDYRLSZXVFNPQ-SRZZPIQSSA-N 348.362 1.812 50 50 EDGA Cc1nnc2n1C[C@H](C(=O)NCCSSCCC(=O)O)CC2 1875388969 WTJUNIPTQHOMEL-SNVBAGLBSA-N 344.462 1.121 50 50 EDGA COc1cccc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 299057 DXWUICQMXPYMND-UHFFFAOYSA-N 329.312 1.607 50 50 EDGA O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccc([N+](=O)[O-])cc1 2870553 GVXVEMZDIFCCAA-UHFFFAOYSA-N 348.359 1.052 50 50 EDGA ICCOCCI 4202250 XWYDQETVMJZUOJ-UHFFFAOYSA-N 325.915 1.873 50 50 EDGA in-vitro CS(=O)(=O)N1C[C@@H]2C[C@H](Br)[C@@H](Br)C[C@@H]21 254305680 UQJJYSWVHVITOL-XAMCCFCMSA-N 347.072 1.567 50 50 EDGA CC(C)(C)OC(=O)NCC12CCC(NC(=O)CCl)(CC1)CO2 1875377569 HHKOYXPRYQSCFJ-UHFFFAOYSA-N 332.828 1.948 50 50 EDGA CCc1n[nH]c2c1[C@]1(C(=O)N(CC)c3ccccc31)C(C#N)=C(N)O2 4453334 JWBXSFNJBIWXNG-GOSISDBHSA-N 335.367 1.711 50 50 EDGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(O)cc1O 3210658 KVKLNUZDHNMMDL-UFWORHAWSA-N 347.758 1.631 50 50 EDGA C[C@@]1(C(=O)O)[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NNC(=O)Cc1ccccc1 244764032 PABRTHCETSBUHF-BWQRHGBYSA-N 328.368 1.290 50 50 EDGA Cc1cc(C)nc(SCC(=O)N/N=C2\C(=O)Nc3ccccc32)n1 5730380 URMANCGSKINEIS-UHFFFAOYSA-N 341.396 1.658 50 50 EDGA Cc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2903762 GHGBDUWEPGMOIX-UHFFFAOYSA-N 344.283 1.886 50 50 EDGA CCc1sc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1C 252475188 VNDFMGXCWATZER-TXFQPVFDSA-N 348.424 1.903 50 50 EDGA C[C@H](Cl)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1875363691 SAKQPJIGOCPEJX-JQWIXIFHSA-N 348.827 1.722 50 50 EDGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)Cc1c(O)n[nH]c1C 264859 SVNXAZHDVJNJFG-CAOOACKPSA-N 348.359 1.142 50 50 EDGA COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)c1 4209636 QTRAZPMSCDZNCP-KEBDBYFISA-N 341.367 1.589 50 50 EDGA O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 838524492 MPVOIZYFKDBSMA-OWCLPIDISA-N 337.383 1.568 50 50 EDGA COc1ccc(C(=O)NNC(=O)c2ccc(OC)cc2OC)cc1 289972 BVXHLCBSEDGMNV-UHFFFAOYSA-N 330.340 1.787 50 50 EDGA Cc1cccc(OCC(=O)N/N=C/c2ccccc2OCC(=O)O)c1 314461 KHQVRRZCOGRIDS-VXLYETTFSA-N 342.351 1.988 50 50 EDGA C=CCN1C(=O)/C(=C/C(=O)O)S/C1=N/NC(=O)OC(C)(C)C 1205882 ADWROWZTLWMSGW-LMEHAKNHSA-N 327.362 1.512 50 50 EDGA Cc1cc(N2CCN(S(=O)(=O)CCl)CC2)nc(C(C)C)n1 253419546 OWIWZTABLCZEKC-UHFFFAOYSA-N 332.857 1.557 50 50 EDGA O=C(NNC(=O)c1cccs1)c1cnc(C2CCOCC2)nc1 2325771001 KTRHQROERREYJE-UHFFFAOYSA-N 332.385 1.507 50 50 EDGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1 4210030 VKYLJPBCLRGVAI-GIJQJNRQSA-N 331.303 1.629 50 50 EDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)c1 2571848 QUYGNLUECKYNPW-XDHOZWIPSA-N 340.383 1.850 50 50 EDGA CCOC(=O)[C@H](Br)[C@H](Br)C(=O)OCC 1691491 ADZYAUVCHQDILS-OLQVQODUSA-N 331.988 1.640 50 50 EDGA CCn1cc(N)c(C(=O)NNC(=S)N[C@H](C)c2ccccc2)n1 2795598 TVLCSICSJTWMMA-SNVBAGLBSA-N 332.433 1.355 50 50 EDGA CN1CCC[C@H]1C(=O)NNc1ccc(S(=O)(=O)C(F)F)cc1 264130359 MQZWJYTUHAPJJS-NSHDSACASA-N 333.360 1.220 50 50 EDGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccc(Br)cc1 100621498 OCYAYTANIOLTAT-LBMJDHPKSA-N 337.177 1.411 50 50 EDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 100609557 DVKGXWUGXDRWTM-SWEBQMAJSA-N 327.171 1.956 50 50 EDGA NNC(=O)C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 263639661 CJMPUUZYOZJSHW-UHFFFAOYSA-N 336.745 1.956 50 50 EDGA O=C(O)COc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCCC2 72562 JMIIHEWYCOMVMO-GIJQJNRQSA-N 342.355 1.516 50 50 EDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(C)cc2)C1 13320737 ODZDLPOEMGTFBZ-VUVCFOEZSA-N 337.445 1.507 50 50 EDGA Cc1ccc2c(c1)/C(=N\NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)N2 239722422 CCSFOIGEYCKOPX-UHFFFAOYSA-N 338.323 1.918 50 50 EDGA CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2O[C@@H]3O[C@@H]([C@]24CO4)[C@@]2(CO2)[C@@H]1O3 257356495 IKSPCKYLNCKQEI-JAXRQLDMSA-N 328.437 1.395 50 50 EDGA CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccn2)c1O 35406219 CIPKBTBOMMDSLJ-RQZCQDPDSA-N 330.300 1.858 50 50 EDGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1O 4260859 CTIWOJRBNOJSGL-VCHYOVAHSA-N 327.340 1.798 50 50 EDGA CCOC(=O)/C(C#N)=C/c1ccc(OCc2c(C)no[n+]2[O-])cc1 447429 KLYJXXXQHNDAHB-MDWZMJQESA-N 329.312 1.666 50 50 EDGA COc1cccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 2572280 XRWHKZVNEVSEBL-LICLKQGHSA-N 342.311 1.692 50 50 EDGA O=C(NNC[C@@H](O)C(=O)OCc1ccccc1)OCc1ccccc1 1857780935 ZBNMUJGEKQCRFJ-MRXNPFEDSA-N 344.367 1.522 50 50 EDGA Cc1c(C(=O)NNC(=O)[C@@H]2CCN2C(C)(C)C)ccn1CC1CC1 2325791522 JIGWBKVIBHBNAE-HNNXBMFYSA-N 332.448 1.840 50 50 EDGA Cc1cc(OCC(=O)NNC(=O)CCCC(=O)O)ccc1Cl 2730295 RZAQCRAUPGRBEN-UHFFFAOYSA-N 328.752 1.430 50 50 EDGA C=CCNC(=S)NNC(=O)Cc1ccc(OCC)c(OCC)c1 6949555 IDNOOPBXNMRPHV-UHFFFAOYSA-N 337.445 1.708 50 50 EDGA Cc1cc(Cl)ccc1NC(=O)C(=O)NNc1c(C#N)c(C)nn1C 1875349564 BRCLKIDFRRAUOR-UHFFFAOYSA-N 346.778 1.644 50 50 EDGA O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)c(B(O)O)c1 169744632 HBBVKWQZDSTEMK-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA CCCc1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)cs1 8682737 WFXKJRFOTSRFIJ-LLVKDONJSA-N 327.475 1.989 50 50 EDGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(O)cc1O 491815 FNNNYTVIEMPRFN-LZYBPNLTSA-N 331.284 1.535 50 50 EDGA COCCNC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12 7062520 QNOQKOANCKTHTG-UHFFFAOYSA-N 344.440 1.868 50 50 EDGA CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(Br)c1 491107367 VBCNDDVFYSPBON-WTKPLQERSA-N 339.145 1.565 50 50 EDGA C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1 2556564 IURWBXFMOUSMJX-SKDRFNHKSA-N 340.332 1.774 50 50 EDGA in-vitro CN(Cc1ccc(Br)cc1)Cc1ccc(B(O)O)cc1 230557545 IAFUIRZCLNCTHZ-UHFFFAOYSA-N 334.022 1.761 50 50 EDGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1 4261195 FVHAAAOVZUZWIL-VCHYOVAHSA-N 327.340 1.798 50 50 EDGA COc1ccc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC 8951558 QKQZZMYUARSBOD-LBPRGKRZSA-N 326.312 1.005 50 50 EDGA O=C(N/N=C/c1ccccn1)c1c(O)c2cccc3c2n(c1=O)CCC3 100814469 VXSXMFCEGMWKGZ-SRZZPIQSSA-N 348.362 1.812 50 50 EDGA O=Cc1c(OCc2ccccc2OC(F)(F)F)cccc1B(O)O 2325825951 IYVIEAJGMQZOPB-UHFFFAOYSA-N 340.062 1.657 50 50 EDGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2)c1OC 2903677 BJZXGOCPSSSKLB-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA Cc1nn(C)c(C)c1[C@H]1[C@H](CNC(=O)[C@@H](C)Cl)CC(=O)N1C 1875375376 ASJBOFQDXDZROD-FDLBOYPASA-N 326.828 1.300 50 50 EDGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc2c(c1)OCO2 18222913 RMKNPBMMFZHUSM-AWEZNQCLSA-N 340.291 1.079 50 50 EDGA CCc1c(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)csc1C 239338831 LHKWKBRAKVJWPX-TXFQPVFDSA-N 348.424 1.903 50 50 EDGA O=C(NNC(=O)[C@@H]1CC(c2cccs2)=NO1)NC1CCCCC1 5769813 HSRWWMLSYVUYDH-LBPRGKRZSA-N 336.417 1.904 50 50 EDGA O=C(NNc1cnc2ccccc2n1)c1n[nH]c(=O)c2ccccc12 183680407 PIJUVPQEKHHWBM-UHFFFAOYSA-N 332.323 1.623 50 50 EDGA CCn1nc(C(F)(F)F)cc1C(=O)NCCNC(=O)CCl 1875384923 YMZBOXJOQQUHIT-UHFFFAOYSA-N 326.706 1.007 50 50 EDGA Cc1nn(C)c(NNC(=O)CCn2c(C)nc3ccccc32)c1C#N 1875349783 MNXBVRGQADQSIN-UHFFFAOYSA-N 337.387 1.792 50 50 EDGA C[C@@H](C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 496302442 HHPSEMJQCKOWQA-YPMHNXCESA-N 339.436 1.827 50 50 EDGA C[C@@H](Cl)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1875363692 SAKQPJIGOCPEJX-PWSUYJOCSA-N 348.827 1.722 50 50 EDGA CC(C)C(=O)NNC(=O)c1[nH]nc(C(F)(F)F)c1Br 1775989381 MSYYDMMIIWXFRZ-UHFFFAOYSA-N 343.103 1.608 50 50 EDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(O)cc2)cc1 4330716 IKNAPRYHFIAUPO-VXLYETTFSA-N 327.340 1.281 50 50 EDGA COC(=O)[C@H](CI)NC(=O)OC(C)(C)C 2558986 UGZBFCCHLUWCQI-LURJTMIESA-N 329.134 1.488 50 50 EDGA in-vitro O=C(O)COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 4229926 WCNLGSMXGZCNDQ-VCHYOVAHSA-N 328.324 1.679 50 50 EDGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccccc2)c1 59515410 VLXGTCQWIRYSEW-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)c1O 2507245 HWIWEJZWILYKOC-KEBDBYFISA-N 341.367 1.589 50 50 EDGA C[C@H](Cl)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1875364544 NTMIEHBFOVCKSN-JTQLQIEISA-N 340.836 1.028 50 50 EDGA COc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)c(OC)c1 228867 LIRDYQOMTCSPED-VCHYOVAHSA-N 339.355 1.599 50 50 EDGA C/C(CC(=O)Nc1ccccc1C(N)=O)=N\NC(=O)c1ccoc1C 5042415 RJEYTCILOOMEIZ-KEBDBYFISA-N 342.355 1.821 50 50 EDGA O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(B(O)O)cc1 169744410 XZNRCSKACKZFAP-UHFFFAOYSA-N 345.107 1.186 50 50 EDGA CC1(C)O[C@@H]2[C@@H](CCl)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1 28539944 RWTKKXHFQYWSKL-WOUKDFQISA-N 325.756 1.065 50 50 EDGA CC1=CC(=O)/C(=C(/C)NNC(=O)[C@@H](C)Cc2ccccc2)C(=O)O1 227173127 ZBVXTWSOIMRQOD-QRKKIEFCSA-N 328.368 1.790 50 50 EDGA Cc1ccc(NC(=O)C(=O)NNC(=O)c2c(F)cccc2F)cc1C 170619916 FEHLYJFJNFRXHP-UHFFFAOYSA-N 347.321 1.981 50 50 EDGA Cn1cc(C(=O)NNC(=O)[C@H]2CCCS2)nc1-c1ccccn1 2325796308 IBZBXIVNPWFQQO-GFCCVEGCSA-N 331.401 1.139 50 50 EDGA CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 4476308 YNOLKHBICVBZRE-HNNXBMFYSA-N 340.335 1.749 50 50 EDGA O=C(Cc1ccncc1)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 130278699 MHWMXDAIAZUHIE-RYQLBKOJSA-N 336.395 1.683 50 50 EDGA OB(O)c1cc(OCc2cccnc2)c(OC(F)(F)F)cc1Cl 169955355 HILGEFZBTTXWBZ-UHFFFAOYSA-N 347.485 1.892 50 50 EDGA C#CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(C)cc1 2543852 RWBYRIWZKDDYMW-LPYMAVHISA-N 349.390 1.887 50 50 EDGA O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(-n2cccc2)cc1 612151 DBFHYAMLHXOHAZ-OAHLLOKOSA-N 344.440 1.765 50 50 EDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1 4210311 BSQAJVIHNACBGD-RGVLZGJSSA-N 325.368 1.884 50 50 EDGA C=CCOc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1 12343885 YHOXLCGLNBOONC-CIAFOILYSA-N 338.367 1.413 50 50 EDGA NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 4549128 AHZWQXDBNQITOQ-JYRVWZFOSA-N 325.324 1.176 50 50 EDGA CCOC(=O)[C@H](Br)[C@@H](Br)C(=O)OCC 1691493 ADZYAUVCHQDILS-PHDIDXHHSA-N 331.988 1.640 50 50 EDGA Cc1c(S(=O)(=O)N2CCC3(CC2)C[C@@H]3Br)cnn1C 1775990246 WLIIMOAFFGEBLJ-NSHDSACASA-N 348.266 1.667 50 50 EDGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]c1=O 5729180 RSPJJIYVVWVCIO-RQZCQDPDSA-N 337.295 1.595 50 50 EDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1 135413 TZSJGNZNIHEPCN-HNNXBMFYSA-N 330.340 1.958 50 50 EDGA O=C(N/N=C/c1ccco1)C(=O)Nc1nnc(-c2ccccc2)s1 5903196 HQDUYADUKXACET-CXUHLZMHSA-N 341.352 1.887 50 50 EDGA C/C(NCCCN1CCOCC1)=C(\C#N)C(=O)NCc1ccccc1 19771480 ZZFKBBLBMFKWDV-VLGSPTGOSA-N 342.443 1.412 50 50 EDGA O=C(CCl)Nc1ccc2c(c1Br)S(=O)(=O)CC2 1875375200 UVTVOUGQHSSXHZ-UHFFFAOYSA-N 338.610 1.956 50 50 EDGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1 38169805 JAFYPWRSZIXOGC-RQZCQDPDSA-N 342.311 1.698 50 50 EDGA C[C@@H]1CCCCN1C(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 239165294 NVSKZJIGBIMDTK-LAFJZYIASA-N 342.233 1.958 50 50 EDGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)c1 2902498 OUWLGAUYCRFKPP-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA Cn1c(CNc2cccc3ccccc23)nnc1SCC(=O)NN 34925130 YVUMQIKNUFLRLN-UHFFFAOYSA-N 342.428 1.662 50 50 EDGA O=C(O)c1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1 291127 AKBHTPYSARLOIW-UPAIAECRSA-N 326.308 1.675 50 50 EDGA Cc1ccc(NC(=O)c2ccc(B(O)O)c(Cl)c2)c([N+](=O)[O-])c1 169744530 IEVBNQFVQVVVJG-UHFFFAOYSA-N 334.524 1.489 50 50 EDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(O)c2)cc1 4347501 YMPAYOAWNDYACJ-VXLYETTFSA-N 327.340 1.281 50 50 EDGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 2566436 VDTXDBDEJGYKNA-LICLKQGHSA-N 326.312 1.992 50 50 EDGA O=C(NCc1ccco1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239174299 PSQXIPJKVJKDLH-JKCCIXDMSA-N 340.173 1.467 50 50 EDGA CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)[C@@H](C)Cl)C2)c(=O)c1 1875380603 UAQSPQNXQUQMOL-OLZOCXBDSA-N 340.855 1.879 50 50 EDGA O=C(O)[C@H]1C[C@@H](S(=O)(=O)c2ccccc2)[C@@H](Cl)C[C@H]1C(=O)O 6668769 NMWKXOFBFYQBTR-NOOOWODRSA-N 346.788 1.632 50 50 EDGA COc1ccc(C(=O)NNC(=O)c2cccc(C)c2O)cc1OC 2921347 GCHDWSJGZLGTSA-UHFFFAOYSA-N 330.340 1.793 50 50 EDGA COC(=O)[C@H](Br)CC[C@@H](Br)C(=O)OC 1710227 HVICCJCVLLCDFQ-PHDIDXHHSA-N 331.988 1.640 50 50 EDGA in-vitro O=C(CNC(=O)N1CCCC1)NNC(=O)Nc1ccc(Cl)cc1 2155836 WTIQLSYJWRWMID-UHFFFAOYSA-N 339.783 1.298 50 50 EDGA CC1(C)[C@H](C(=O)NNC(=O)c2cccc(O)c2)CC[C@]1(C)C(=O)O 6681883 SGWCHEDLDTVZLW-YVEFUNNKSA-N 334.372 1.680 50 50 EDGA CCOc1ccc(NC(=S)NNC(=O)c2cc(C)n(C)n2)cc1 373321 IZVDXSWDESLGHP-UHFFFAOYSA-N 333.417 1.759 50 50 EDGA CS(=O)(=O)N1C[C@@H]2C[C@H](Br)[C@H](Br)C[C@H]21 254305679 UQJJYSWVHVITOL-RULNZFCNSA-N 347.072 1.567 50 50 EDGA COc1ccc(C(=O)NNC(=O)CCN2CCCCC2)cc1OC 4997246 YTTVJPKSQAVYCC-UHFFFAOYSA-N 335.404 1.341 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1 72674 PDGXOQNWWSPIGC-KEBDBYFISA-N 336.351 1.973 50 50 EDGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(O)cc1 4946974 NEABKTURJUDSHG-INIZCTEOSA-N 343.408 1.896 50 50 EDGA CC1CCN(C(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)CC1 239229111 USNKYMWYXVOHGL-GRRRKWKPSA-N 342.233 1.816 50 50 EDGA CCCN1CCC[C@@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 685943713 MONOBXWQOBVSOR-CYBMUJFWSA-N 334.376 1.478 50 50 EDGA O=C(O)[C@@H]1[C@H]2C[C@@H]([C@H](Br)[C@H]2Br)[C@@H]1C(=O)O 245242171 HECPLCNVJSYLGU-MAFUWASYSA-N 341.983 1.565 50 50 EDGA C[C@@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)N(C)CC(F)(F)F 170614532 DJMAORCTPSLKBG-JTQLQIEISA-N 346.353 1.396 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 197734 ZUVMBGKDORFCNL-GIJQJNRQSA-N 330.369 1.506 50 50 EDGA CN(C)c1ccc(/C=N/NC(=O)C2=NNC(=O)[C@@H]2c2ccccc2)cc1 102296901 RAJYUWHJSJZASG-DDLUMYACSA-N 349.394 1.472 50 50 EDGA COCC(=O)NNC(=O)Nc1ccc(Br)cc1Cl 2855465 KHJYFNGKWSERIS-UHFFFAOYSA-N 336.573 1.902 50 50 EDGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(OC)c1 2900959 VPXACEHLNKYZHY-VXLYETTFSA-N 345.330 1.932 50 50 EDGA COc1ccccc1OCC(=O)NNC(=O)[C@H](OC)c1ccccc1 2921324 QIDVLYWCAWALFO-QGZVFWFLSA-N 344.367 1.609 50 50 EDGA Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 7165667 UEZSRQVKXQYXPN-DHZHZOJOSA-N 331.353 1.781 50 50 EDGA NNC(=O)c1ccn(COc2ccc(Br)cc2Cl)n1 2537716 YNLDVQMWNYDZKX-UHFFFAOYSA-N 345.584 1.939 50 50 EDGA O=C(Nc1nccs1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 239164830 MZOXLTILEBFDPQ-MVEQLIQHSA-N 343.202 1.653 50 50 EDGA COc1ccc(C(NC(=O)CCl)NC(=O)CCl)cc1OC 3408059 QXMCNDCEIVGIPL-UHFFFAOYSA-N 335.187 1.412 50 50 EDGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1 2100923 VNWBOWUUZXLONW-VCHYOVAHSA-N 327.340 1.798 50 50 EDGA CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)[C@H]1COCCO1)C2 1775984582 BXSVZWMMBPZVFV-LDKAANIFSA-N 338.404 1.263 50 50 EDGA CC1(C)OB(c2ccc(S(=O)(=O)NCCCl)cc2)OC1(C)C 170006223 QTCOVFTWCAKPCD-UHFFFAOYSA-N 345.657 1.503 50 50 EDGA Nc1nonc1C(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1 1873092 RTSHDBZRGVFGLX-REZTVBANSA-N 341.283 1.374 50 50 EDGA O=C(CCl)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1875370189 FIJYKTPWJRIHGX-WDSKDSINSA-N 340.651 1.826 50 50 EDGA O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)NC1CCCCC1 13629494 ADNFVSLBRYVOOL-GFCCVEGCSA-N 348.403 1.291 50 50 EDGA C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1c(O)cc(C)oc1=O 100676458 GLCVDCSFYPBHAG-CXUHLZMHSA-N 331.284 1.716 50 50 EDGA CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]2O[C@H]3O[C@H]1C(=O)[C@H](O3)[C@@]21CCCO1 257358855 WUHOPCOQOZLLIS-DPHLJDABSA-N 342.464 1.975 50 50 EDGA OB(O)c1cnc(OCc2ccccc2)nc1OCc1ccccc1 169744929 HVVGEQHZGHNHJD-UHFFFAOYSA-N 336.156 1.314 50 50 EDGA in-vitro COc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)c1 4259634 KFVLKCVMRUTUIH-VCHYOVAHSA-N 328.324 1.923 50 50 EDGA COC(=O)/C(=N\Nc1ccc2c(c1)CCN2C(C)=O)C(=O)CCl 12625281 IXLNWDAIMMPNAA-JXAWBTAJSA-N 337.763 1.344 50 50 EDGA CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](NC(=O)CCl)C1 1875375612 FWLJYRPRQWZZBD-JTQLQIEISA-N 328.800 1.357 50 50 EDGA COc1c(O)ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1[N+](=O)[O-] 437428 KQVNUQIUOQERQC-VEJKBTLKSA-N 345.311 1.493 50 50 EDGA C/C(=N\NC(=O)CN1CCOCC1)c1ccc(Br)cc1 19335734 XHNXSZUAQHWRHJ-LFIBNONCSA-N 340.221 1.622 50 50 EDGA Cc1cc(C2CCN(C(=O)NNC(=O)[C@@H]3CCO[C@@H]3C)CC2)on1 2325818167 ASZDCBVUAJNWNE-DGCLKSJQSA-N 336.392 1.328 50 50 EDGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(OC)c1 2901676 NCXBBBNHLHRVCV-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA Cc1ccc2c(c1)/C(=N/NC(=O)[C@@H]1COc3ccccc3O1)C(=O)N2 6556931 YKAJWQWDAVSIEY-HNNXBMFYSA-N 337.335 1.607 50 50 EDGA NNC(=O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 20218530 XSXVLPQGBWGWDB-ZCFIWIBFSA-N 337.689 1.301 50 50 EDGA Cc1nn(C)c(NNC(=O)C[C@@H]2OCCc3ccsc32)c1C#N 1875345197 VOQVPWGREVKUSO-LBPRGKRZSA-N 331.401 1.809 50 50 EDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 4209563 AHWGFGCJHKGRIA-VXLYETTFSA-N 340.339 1.783 50 50 EDGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1 1884726 XAWKXFKDEYZNHQ-OVCLIPMQSA-N 330.256 1.973 50 50 EDGA Cn1cc(C(=O)NNC(=O)[C@@H]2CCCS2)nc1-c1ccccn1 2325796309 IBZBXIVNPWFQQO-LBPRGKRZSA-N 331.401 1.139 50 50 EDGA O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)Nc1ccccc1F 1398968 IZTRANCAMOZATB-CQSZACIVSA-N 343.318 1.567 50 50 EDGA O=C(CN1CCSCC1)N/N=C/c1coc2ccccc2c1=O 55554724 NVYXKCREMNRXRG-RQZCQDPDSA-N 331.397 1.292 50 50 EDGA COc1cccc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)c1OC 102298678 PZNDLYHPJIAHOJ-UDPFGDFPSA-N 332.360 1.056 50 50 EDGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 2566435 UERNXDQDPXQBBU-LICLKQGHSA-N 326.312 1.992 50 50 EDGA CCn1cc(S(=O)(=O)N2CCC3(CC2)C[C@@H]3Br)cn1 1775989625 QVCUSNMAPRBLRW-NSHDSACASA-N 348.266 1.841 50 50 EDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccsc2)C1 13320829 NOYYLZDMWLOXJB-ACLQVGRQSA-N 329.447 1.260 50 50 EDGA NNC(=O)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1950914 DOMUHAZKDDJNKN-UHFFFAOYSA-N 341.190 1.501 50 50 EDGA Cn1nc2c(c1C(=O)NCCSSCCC(=O)O)CCCC2 1875389054 ZZJNNKFXQCITAL-UHFFFAOYSA-N 343.474 1.885 50 50 EDGA CCc1c(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)csc1C 239338830 LHKWKBRAKVJWPX-DUBDDPSESA-N 348.424 1.903 50 50 EDGA O=C([C@H](F)Cl)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 2325898667 RWAMZLIVISFAME-CIQUZCHMSA-N 342.720 1.779 50 50 EDGA CC(C)(C)c1ccc(C(=O)NNC(=O)C(=O)N2CCCCC2)cc1 2860037 RZHAQTPYNYYOKE-UHFFFAOYSA-N 331.416 1.758 50 50 EDGA O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)Nc1ccccc1 1394665 LCLQIVLPHBMINC-CQSZACIVSA-N 325.328 1.428 50 50 EDGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O 3080498 NZPKJXIGMPMEKC-UFWORHAWSA-N 347.758 1.631 50 50 EDGA CN(NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ncc(C(F)(F)F)cc1Cl 2562115 AWBNHLBKJRZDCU-BQBZGAKWSA-N 337.685 1.942 50 50 EDGA CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2O)cc1 4329718 QBCUIDVJURJPHI-VCHYOVAHSA-N 327.340 1.749 50 50 EDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O 4651844 DCJKKDCWRRGGPX-QWHCGFSZSA-N 336.775 1.697 50 50 EDGA O=C(CCl)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 1875370187 FIJYKTPWJRIHGX-PHDIDXHHSA-N 340.651 1.826 50 50 EDGA COC(=O)NNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 299540 KPRIXMXNRHDIBT-UHFFFAOYSA-N 339.307 1.488 50 50 EDGA COCCCNC(=S)NNC(=O)CSCc1ccccc1 6453331 OXICTODIJJKTSC-UHFFFAOYSA-N 327.475 1.452 50 50 EDGA CCNC(=O)NNC(=O)CNC(=O)Nc1ccc(Cl)c(Cl)c1 2142418 LMKKGEWSCWBZPN-UHFFFAOYSA-N 348.190 1.465 50 50 EDGA CN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 102807231 VLMYXNFAXAIEER-ZMEGLIOTSA-N 337.335 1.323 50 50 EDGA COC(=O)c1ccc(/C=N\NC(=O)Cn2nnc3ccccc32)cc1 32617880 VPMGMSLQIYBBIG-ZDLGFXPLSA-N 337.339 1.368 50 50 EDGA COC(=O)c1ccc(Br)c(NNC(=O)[C@H]2CCCO2)c1 293955719 JAUZAROFIGCANF-LLVKDONJSA-N 343.177 1.858 50 50 EDGA COC(=O)[C@H](CCI)NC(=O)OC(C)(C)C 72228930 VYAWQKJZQJHWPR-ZETCQYMHSA-N 343.161 1.878 50 50 EDGA in-vitro CC(C)(O)C(C)(C)OB(O)c1ccc(CBr)c(F)c1 200324910 KOBDTBULYUIFQM-UHFFFAOYSA-N 333.006 1.974 50 50 EDGA Cc1ccccc1N/N=C(/C(=O)NN)S(=O)(=O)c1ccccc1 3586551 VQBPLVSTCKKIQY-CYVLTUHYSA-N 332.385 1.184 50 50 EDGA CC(C)(C)N1C[C@H](C(=O)NCCSSCCC(=O)O)CC1=O 1875389232 GWEJONGZKUOOFB-SNVBAGLBSA-N 348.490 1.606 50 50 EDGA O=C(O)COc1ccccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 433517 BJOUNRDZDBQPRA-RQZCQDPDSA-N 343.295 1.822 50 50 EDGA CO[C@@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2965484 KTWPEOHOQQSMNA-CQSZACIVSA-N 329.312 1.744 50 50 EDGA C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)c2c(C)n[nH]c21 5818128 CGAVKXVCFBUFPW-GOSISDBHSA-N 333.351 1.623 50 50 EDGA Cc1cc([N+](=O)[O-])cc2c1NC(=O)/C2=N\NC(=O)c1cccc(O)c1 15015362 PAWMSKJQXOLKAP-UHFFFAOYSA-N 340.295 1.695 50 50 EDGA CSCC(=O)NNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325710620 KKTAMOGQTUMUHR-DGCLKSJQSA-N 335.429 1.107 50 50 EDGA CCNC(=S)NNC(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] 6655168 URLYAOLZUUUTHM-VIFPVBQESA-N 326.378 1.186 50 50 EDGA CCc1ccccc1NC(=O)NNC(=O)CNC(=O)N(CC)CC 2167594 YKAUVVIYDGLBOR-UHFFFAOYSA-N 335.408 1.453 50 50 EDGA OCCO[C@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 252430983 XGIKSUJJSGSNBH-AXMZGBSTSA-N 327.652 1.826 50 50 EDGA Cc1cc(Br)c(NCC(=O)NN)c(Br)c1 34925101 UBOPAWMVRKVXBO-UHFFFAOYSA-N 337.015 1.922 50 50 EDGA Cc1cc(O)cc(O)c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 1021234 WAHGGSFCHHBQFB-YESQQZSKSA-N 328.324 1.696 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(O)c(O)c3)[C@H]2C1 36378013 VPMWOQRJIKLDOQ-YOEHRIQHSA-N 347.378 1.453 50 50 EDGA COc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2)cc1OC 2531103 SMLBKDSOLYZTIQ-VXLYETTFSA-N 343.339 1.925 50 50 EDGA Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)O)s1 239302618 FMGGDYRUMRBWMI-YRRQLQLVSA-N 334.397 1.731 50 50 EDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(C)s2)C1 13320792 KTVYEMYNSZKCTK-DGGAMASNSA-N 343.474 1.568 50 50 EDGA COC(=O)N1CCC[C@@H](C(=O)N/N=c2/sc3ccccc3n2C)C1 170621559 SLSKXFBNKDETMZ-AFMLGWFNSA-N 348.428 1.650 50 50 EDGA CSCC(=O)NNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 2325710619 KKTAMOGQTUMUHR-AAEUAGOBSA-N 335.429 1.107 50 50 EDGA CC[C@H](Oc1cccc(B(O)O)c1C=O)C(=O)Nc1ccc(C)cc1 2325826294 XAOXKIDSRDRNQL-INIZCTEOSA-N 341.172 1.283 50 50 EDGA Cc1nn([C@H](C)C(=O)NNC(=S)NC2CCCC2)cc1[N+](=O)[O-] 17071246 DAFOIHXSFKNRQC-SECBINFHSA-N 340.409 1.099 50 50 EDGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC)c1O 2571807 PTMLVJKFDKDPQK-VCHYOVAHSA-N 343.339 1.498 50 50 EDGA COc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)cc1 2911031 KAHPROLQKOMNKK-KGENOOAVSA-N 339.395 1.894 50 50 EDGA CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 2820134 MYDUPGZQFUEACY-PZUDMAOCSA-N 331.416 1.729 50 50 EDGA CC(C)(O)C(=O)NNC(=O)c1ccnc(Cl)c1Br 952877781 VNAISLSJRJCAEE-UHFFFAOYSA-N 336.573 1.029 50 50 EDGA O=S1(=O)[C@H]2CCN1C[C@@H](Br)[C@@H](Br)C2 101093040 WYWMLKGKCPVNFT-LYFYHCNISA-N 333.045 1.321 50 50 EDGA COc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(F)cc32)cc1 5093043 HZEOJXPVVRGETN-UHFFFAOYSA-N 343.314 1.686 50 50 EDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1 100507415 DZQSYCMVIZRKDX-BPKVKKHESA-N 331.332 1.337 50 50 EDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 4229704 CMBAFQZWFCCEOP-VXLYETTFSA-N 340.339 1.783 50 50 EDGA C[C@@H](Cl)C(=O)NCc1cccc(OCCN2CCOCC2)c1 1875363464 BSJLYSHVHWENNG-CYBMUJFWSA-N 326.824 1.641 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)c(OC)c1 2911786 QRVDOJWUTQHRIS-VXLYETTFSA-N 345.330 1.932 50 50 EDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)c1 2898252 FCLDHYMQQLLEPS-VCHYOVAHSA-N 341.323 1.482 50 50 EDGA O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccccc1C(=O)O 42267 PVKFXHAAWIJXME-UHFFFAOYSA-N 348.742 1.878 50 50 EDGA CCO/C=C(\C#N)C(=O)N1CCN(c2ccc(C(=O)OC)s2)CC1 491102557 IDZPRJLGNHBPBL-VAWYXSNFSA-N 349.412 1.627 50 50 EDGA O=C(NNC(=O)[C@H](O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 17067638 XVLXISZUKAVOKG-CYBMUJFWSA-N 330.300 1.481 50 50 EDGA COc1ccc(C)cc1NC(=O)NNC(=O)[C@@H](O)c1ccccc1 17067444 BBEULSKBNCWOKC-HNNXBMFYSA-N 329.356 1.890 50 50 EDGA O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc(B(O)O)c1 169744051 GMWDZINLQHIGLH-UHFFFAOYSA-N 345.107 1.186 50 50 EDGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1c(F)cccc1F 100242671 VIBUVQSZROVYIN-GFCCVEGCSA-N 332.262 1.628 50 50 EDGA O=C(N/N=C/c1cc(O)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1 36177997 WMIRAXKQMGOZNU-IWAJPKQASA-N 343.295 1.591 50 50 EDGA COC(OC)[C@@]1(C)C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 4108633 KBOFHVOIGMXURS-KRWDZBQOSA-N 328.324 1.756 50 50 EDGA CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Br)cn1 16693932 AGYKXWIZBKFVOB-XFFZJAGNSA-N 347.172 1.979 50 50 EDGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 190084 BTNLEDPMVMFTKH-HNNXBMFYSA-N 343.295 1.994 50 50 EDGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N(C)c2ccccc21 4653851 HGGUIKFLKALPBS-DGIBIBHMSA-N 335.363 1.878 50 50 EDGA O=C(N/N=C/c1ccc(F)cc1)C(=O)N/N=C/c1ccc(F)cc1 2756010 MYDCLQYIHHLEMT-LQGKIZFRSA-N 330.294 1.565 50 50 EDGA CC(C)[C@H]1CC[C@@H](C)C/C1=N\NC(=O)N[C@H]1CCS(=O)(=O)C1 253422976 ORTSAESZUAHAPA-VZJGHAANSA-N 329.466 1.921 50 50 EDGA O=C1[C@H]2[C@@H]3C[C@@H]4[C@H]2C(=O)[C@@H](Br)[C@H]4[C@@H]3[C@H]1Br 252426412 ASRUXQHQIUKJHH-QCTMWWMDSA-N 334.007 1.793 50 50 EDGA COc1ccc([C@H]2C[C@H]2C(=O)NNc2c(C#N)c(C)nn2C)cc1 1875349795 MYHPVKMMFFSJMR-ZIAGYGMSSA-N 325.372 1.856 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 59515411 UUVJFZGVVXGUDE-WOJGMQOQSA-N 325.324 1.562 50 50 EDGA O=C(COc1ccccc1)NCC(=O)N/N=C/C=C/c1ccccc1 1958776 MWCOAJZZIJBQMA-FPQBULDBSA-N 337.379 1.997 50 50 EDGA C[C@H](Cl)C(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(c2ccccc2)C1 1875368553 AACWYGYZYRZPAC-LNSITVRQSA-N 327.833 1.439 50 50 EDGA O=C(COc1ccccc1)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 17067642 XOFHJDFEFUNXOK-UHFFFAOYSA-N 330.300 1.827 50 50 EDGA CC(C)(C)[Si](C)(C)OC1[C@H]2OC3OC([C@]24CO4)[C@]2(CO2)[C@@H]1O3 169835808 IKSPCKYLNCKQEI-RUAMBQHHSA-N 328.437 1.395 50 50 EDGA CC[C@H](CCC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)O 2859622 NYCLIWHSLPURPN-LLVKDONJSA-N 337.332 1.176 50 50 EDGA COc1ccccc1NC(=O)C(=O)N/N=C1/C(=O)Nc2ccccc21 1883004 WQPHJOHQLOHLRJ-UHFFFAOYSA-N 338.323 1.106 50 50 EDGA Cc1c(S(=O)(=O)N2CCC3(CC2)C[C@H]3Br)cnn1C 1775990245 WLIIMOAFFGEBLJ-LLVKDONJSA-N 348.266 1.667 50 50 EDGA COc1cc(/C=N/NC(=O)CCn2nnc3ccccc32)ccc1O 252541 XJJCRRLPKZYMOX-WOJGMQOQSA-N 339.355 1.686 50 50 EDGA COc1ccccc1C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 2861464 BCNBIUCJLKIUSE-UHFFFAOYSA-N 345.311 1.443 50 50 EDGA C[C@@H](Cl)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 1875364678 PZKGXJVFOYKWTO-ZWNOBZJWSA-N 344.242 1.638 50 50 EDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2OC)cc1 2839996 WVPFTECXYJGSFW-RGVLZGJSSA-N 341.367 1.584 50 50 EDGA Cc1cc(C)n2nc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)nc2n1 32678406 WDICYECLTUKWAM-PXNMLYILSA-N 339.315 1.413 50 50 EDGA CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@@H](C)CSC 170623342 APYKFAXASRATPL-NSHDSACASA-N 334.445 1.745 50 50 EDGA Cc1n[nH]c(NNC(=O)COc2ccc(Cl)cc2)c1[N+](=O)[O-] 9704087 NJYJVJSMPZAQQX-UHFFFAOYSA-N 325.712 1.802 50 50 EDGA COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(OC)c1OC 247317 RHDQELQEVCJYMF-WTWVRAIASA-N 346.383 1.915 50 50 EDGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1 3008927 SQINRXMAKSZOBD-LICLKQGHSA-N 326.312 1.992 50 50 EDGA CN(C)N1C(N)=C(C#N)[C@@]2(C(=O)Nc3ccccc32)C2=C1CCCC2=O 4728079 NQOJIFXHYNMLND-LJQANCHMSA-N 349.394 1.370 50 50 EDGA CN(c1ccn(C)n1)S(=O)(=O)c1c(CCl)nn(C)c1Cl 1775991169 QCGYWZNWKPEMLV-UHFFFAOYSA-N 338.220 1.371 50 50 EDGA C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(C)=O)=C1C 528380 DLWOPOLKVGBRDG-LJQANCHMSA-N 335.363 1.902 50 50 EDGA C[C@@H](Cl)C(=O)N[C@]1(c2ccc(S(C)(=O)=O)cc2)CCOC1 1875366458 LCVRCMYKJRSKKE-QMTHXVAHSA-N 331.821 1.449 50 50 EDGA Cc1ccc(OCC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1 4261315 OGCGCNOJRZLAKU-VXLYETTFSA-N 342.351 1.988 50 50 EDGA CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNC(=O)c1ccc(F)cc1)OC2=O 2877774 HGYOKGPICDBSDO-SJORKVTESA-N 334.347 1.709 50 50 EDGA Cc1nn(C[C@@H](C)C(=O)N/N=C/c2ccncc2)c(C)c1[N+](=O)[O-] 2785678 XJHAHGNFKRVSTE-UWOUAGFBSA-N 330.348 1.590 50 50 EDGA COc1ccc(/C=N/NC(=O)c2snnc2C)c(OC)c1OC 255613 URXMTXGGQRBQQC-VIZOYTHASA-N 336.373 1.636 50 50 EDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2sccc2C)C1 13320764 LHJCQAMRGREXOS-KMHUVPDISA-N 343.474 1.568 50 50 EDGA CCOC(C)(OCC)C(=O)NNC(=O)/C=C/c1ccnc(Cl)c1 493841766 FZGRLCSLLFRBDY-VOTSOKGWSA-N 341.795 1.685 50 50 EDGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)C(=O)Nc1ccccc1 4229219 OBVKQCJRLGOBKW-YBFXNURJSA-N 334.335 1.617 50 50 EDGA COc1cc(/C=N/NC(N)=O)ccc1OCC(=O)N1CCCCC1 440416 PIRAPYPZNXIQCR-VCHYOVAHSA-N 334.376 1.089 50 50 EDGA CN1C(=O)c2ccc(NC(=S)NC(=O)CCCCl)cc2C1=O 2029113 NQKLSEDQDQCOTJ-UHFFFAOYSA-N 339.804 1.744 50 50 EDGA O=C1c2ccccc2C(=O)N1C1COC(CBr)OC1 263624852 URXDVHYKVNQHAH-UHFFFAOYSA-N 326.146 1.419 50 50 EDGA C=CCOc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1 2900455 MSUFJKLXDXQBHJ-YBFXNURJSA-N 327.340 1.611 50 50 EDGA CCn1nc(C)c(C=NNC(=O)c2nc3nc(C)cc(C)n3n2)c1C 252680229 XSDQJJMMGQZIRT-UHFFFAOYSA-N 340.391 1.338 50 50 EDGA Cc1ccc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 47634 JSCZASMSQPTTHV-UHFFFAOYSA-N 329.312 1.743 50 50 EDGA COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cccnc2)c1 2911648 WGJZGEUPGLMKQP-VCHYOVAHSA-N 328.328 1.188 50 50 EDGA C[C@H](Cl)C(=O)N1CCCN(C(=O)c2cc(Cl)cn2C)CC1 1875364803 UPSDIQSDXHYOJD-JTQLQIEISA-N 332.231 1.980 50 50 EDGA CN1C(=O)/C(=N\NC(=O)c2cccnc2)c2cc([N+](=O)[O-])ccc21 4737945 AEYQXWWPOIVPRQ-LGMDPLHJSA-N 325.284 1.100 50 50 EDGA C[C@H](Cl)C(=O)N[C@@]1(c2ccc(S(C)(=O)=O)cc2)CCOC1 1875366456 LCVRCMYKJRSKKE-HZMBPMFUSA-N 331.821 1.449 50 50 EDGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)c(OC)c1OC 4518164 LAODQEOCZAYNTA-GIJQJNRQSA-N 344.371 1.688 50 50 EDGA CCCCCn1c(SCCCl)nc2c1c(=O)[nH]c(=O)n2C 2025921 PTOOCSJEMARLBV-UHFFFAOYSA-N 330.841 1.944 50 50 EDGA CCN(CC)c1ccc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)cc1 100608226 SWEASIFSJJMZML-PUMYGXPMSA-N 343.431 1.885 50 50 EDGA COC(=O)[C@]1(SC)[C@H]2CC3(OCCO3)[C@H]1C[C@H]2Br 257355787 CRURLMDCGDFURD-HAYRHPOISA-N 337.235 1.808 50 50 EDGA O=C(CCl)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 1875375139 RZMFFNDJQHADJW-LLVKDONJSA-N 332.809 1.009 50 50 EDGA O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cncc2ccccc12 170640915 ANOLQVKEWODLOT-KRWDZBQOSA-N 349.346 1.836 50 50 EDGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@H]1COc2ccccc2O1 291190 XXTQEWLVRQUOKU-IWTIEGKHSA-N 333.325 1.946 50 50 EDGA COc1ccc([C@@H]2C[C@@H]2C(=O)NNc2c(C#N)c(C)nn2C)cc1 1875349792 MYHPVKMMFFSJMR-KBPBESRZSA-N 325.372 1.856 50 50 EDGA CCOc1cccc(/C=N/NC(=O)Cn2nnc3ccccc32)c1O 381547 PLBLNTUDTBBPLL-VCHYOVAHSA-N 339.355 1.686 50 50 EDGA COc1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc1OC 4646467 YABLXOCXXRPJRR-KPKJPENVSA-N 339.355 1.411 50 50 EDGA CCN(CC)C(=O)NCC(=O)NNC(=O)Nc1cccc(Cl)c1 2161838 HVSXGECLHSQQKS-UHFFFAOYSA-N 341.799 1.544 50 50 EDGA COc1cccc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)c1OC 102298682 PZNDLYHPJIAHOJ-UWONZBIMSA-N 332.360 1.056 50 50 EDGA Cc1cc(C2CCN(C(=O)NNC(=O)[C@@H]3CCO[C@H]3C)CC2)on1 2325818168 ASZDCBVUAJNWNE-WCQYABFASA-N 336.392 1.328 50 50 EDGA CC(C)(C)OC(=O)NNC(=S)Nc1ccc(S(N)(=O)=O)cc1 2858600 MIBZCWZKPSSHOE-UHFFFAOYSA-N 346.434 1.060 50 50 EDGA COc1ccc(C(=O)NNC(=O)Cc2noc3ccccc23)cc1 1395298 GKNVAKRKGDDWCA-UHFFFAOYSA-N 325.324 1.840 50 50 EDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)c1O 2543988 LCGPKBWUPITCGR-KEBDBYFISA-N 341.367 1.589 50 50 EDGA CCN(CC)C(=O)C(=O)N/N=C/c1cccc(Br)c1 2892383 SNGMNPDYWNTRFP-OQLLNIDSSA-N 326.194 1.768 50 50 EDGA CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(O)cc1 4638365 NEABKTURJUDSHG-MRXNPFEDSA-N 343.408 1.896 50 50 EDGA NC(=O)CC1CCN(S(=O)(=O)c2ccc(CCl)cc2)CC1 313862982 OYZWWDLDRFGYIZ-UHFFFAOYSA-N 330.837 1.702 50 50 EDGA COc1cc(/C=N\NC(=O)c2nc3nc(C)cc(C)n3n2)ccc1O 32678398 TUXNDODCGXOCDL-IUXPMGMMSA-N 340.343 1.219 50 50 EDGA Cc1c(Br)c(C(=O)NNC(=S)NCC(C)C)nn1C 2111759 RYURYSGTVLMFJD-UHFFFAOYSA-N 348.270 1.256 50 50 EDGA COCCCNC(=S)NNC(=O)c1ccccc1Br 13497311 DTXSRUOSRYISND-UHFFFAOYSA-N 346.250 1.595 50 50 EDGA CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccc(Cl)cc1Cl 100151430 JOOYOVSKIWJDHP-WTSVEOLSSA-N 327.171 1.956 50 50 EDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1 291027 VRLGSFMSJHGVMV-GFHWABCWSA-N 327.296 1.885 50 50 EDGA CCn1cc(N)c(C(=O)NNC(=S)N[C@@H](C)c2ccccc2)n1 2795597 TVLCSICSJTWMMA-JTQLQIEISA-N 332.433 1.355 50 50 EDGA O=C(NNC(=O)N1CCC2(CCCC2)C1)[C@H]1Cc2ccccc2O1 170644744 GBTSXWKHLQSPFH-OAHLLOKOSA-N 329.400 1.997 50 50 EDGA COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NN)cc1OC 13810190 YAUHISKSBVIFMT-UVTDQMKNSA-N 341.367 1.465 50 50 EDGA Cc1nn(C)c(C(=O)N/N=C/c2cc(Cl)ccc2O)c1[N+](=O)[O-] 355612 VPSZDLSSNHOWNR-GIDUJCDVSA-N 337.723 1.760 50 50 EDGA Cc1nn(C)c(NNC(=O)c2cc(N(C)C)nc3ccccc23)c1C#N 1875349736 KTIJCLLFOAHWEK-UHFFFAOYSA-N 349.398 1.971 50 50 EDGA CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 51092 IDXMXTZCRTZTTK-SFHVURJKSA-N 339.351 1.826 50 50 EDGA COc1cc(/C=N/NC(=O)CNC(=O)/C=C/c2ccco2)ccc1O 1880956 HKUHNSHHPIVDRD-YNZOLMGVSA-N 343.339 1.274 50 50 EDGA COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)ccc1O 251955 DRZMFVKPWKMHBB-RQZCQDPDSA-N 325.328 1.296 50 50 EDGA CCc1ccccc1NC(=O)c1cc(Br)cc(B(O)O)c1 169744771 MDQQEXHBVWTERR-UHFFFAOYSA-N 348.005 1.944 50 50 EDGA COc1ccc(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1 289980 OUADFJPUWFESFF-UHFFFAOYSA-N 330.340 1.787 50 50 EDGA O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 2054193 PSQVFCCJDACPDD-UHFFFAOYSA-N 330.256 1.578 50 50 EDGA O=C(COc1ccc2c(c1)CCC2)NNC(=S)NC[C@@H]1CCCO1 15900062 PMABKOZSIGYSDN-HNNXBMFYSA-N 349.456 1.228 50 50 EDGA N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)NCc1ccco1 247496 FONZMUMYOQOAOL-JLHYYAGUSA-N 327.340 1.933 50 50 EDGA COc1ccc(COc2ncc(B(O)O)cc2C(F)(F)F)cc1 1772572567 BWTZYWOFJPHINJ-UHFFFAOYSA-N 327.067 1.368 50 50 EDGA O=C(C[C@H]1C(=O)NCCN1C(=O)CCl)Nc1ccccc1Cl 66324474 GZCJANJWCGLQHN-NSHDSACASA-N 344.198 1.234 50 50 EDGA O=C(O[C@@H]1C(=O)OC(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 85918622 OXIKRMSPXYQFOT-KBPBESRZSA-N 340.287 1.521 50 50 EDGA C[C@@H](Oc1ccc(C#N)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 1002075 UYJYIWJKZXIHAO-IYPWXLATSA-N 328.284 1.977 50 50 EDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1cccc(Cl)c1Cl 100609537 QGJLVPYCOGKXNC-SWEBQMAJSA-N 327.171 1.956 50 50 EDGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=S)Nc1ccccc1 525111 WYRHZBDICFCHEV-UHFFFAOYSA-N 346.368 1.991 50 50 EDGA Cc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)c([N+](=O)[O-])c1 238126 RZMIDCHDOGPHNH-CAOOACKPSA-N 345.311 1.844 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(O)c3)[C@@H]2C1 15218232 YQEXPWQWQQCOSX-IAGOWNOFSA-N 331.379 1.747 50 50 EDGA CCOc1ccc(NC(=S)NNC(=O)c2cc(C)nn2C)cc1 373316 OIEOKQIGYFDCNT-UHFFFAOYSA-N 333.417 1.759 50 50 EDGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2O[C@H]3O[C@H]1C(=O)[C@H](O3)[C@]21CCCO1 257358858 WUHOPCOQOZLLIS-QUPHKUTMSA-N 342.464 1.975 50 50 EDGA Cc1nn(C)c(NNC(=O)CCc2ncc(C(C)(C)C)o2)c1C#N 1875350019 YAENWQHJNNJMCO-UHFFFAOYSA-N 330.392 1.962 50 50 EDGA Cc1nn(C)c(C(=O)N/N=C/c2cccc(O)c2)c1Br 355909 JSNOHUOXQJKZSA-VIZOYTHASA-N 337.177 1.961 50 50 EDGA CCn1nc(C)c(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C 2762987 SGOVIDCVPMOGAW-RQZCQDPDSA-N 345.359 1.957 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1 4287588 DNDRMQUMSGCECX-YBFXNURJSA-N 339.351 1.870 50 50 EDGA CCOc1ccccc1NC(=O)NCC(=O)N/N=C/c1ccccn1 2141431 MMAUVBDUICYUAK-RGVLZGJSSA-N 341.371 1.752 50 50 EDGA CS(=O)(=O)N1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 101137744 CHEKMFFFHARSIZ-MNDIDHKDSA-N 333.045 1.320 50 50 EDGA CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 2820136 MYDUPGZQFUEACY-BBJIBYMTSA-N 331.416 1.729 50 50 EDGA Cc1nn(C)c(NNC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c1C#N 1875345888 LRZJXJFUHQDHLP-ZNSHCXBVSA-N 343.309 1.399 50 50 EDGA N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nn(CCO)c(N)c1C#N 4149636 KPBGFKRXOYGDRD-MDWZMJQESA-N 345.366 1.784 50 50 EDGA O=C(C/C=C/CC(=O)N/N=C/c1ccco1)N/N=C\c1ccco1 4828709 XIMWBRCTWYOFLD-ROGSJRCNSA-N 328.328 1.809 50 50 EDGA CO[Si](CCCOC(=O)C(C)(C)Br)(OC)OC 196135377 PBHIWZGFSZBQJV-UHFFFAOYSA-N 329.263 1.971 50 50 EDGA NC(=O)CCCCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1 170602046 RXZGXOCTHVSBOQ-UHFFFAOYSA-N 337.767 1.879 50 50 EDGA Cc1ccccc1CC(=O)NNC(=O)Cc1sc(S)nc1C 153770521 GFZVECGPMVKCOO-UHFFFAOYSA-N 335.454 1.981 50 50 EDGA CC(C)(C)[Si](C)(C)OC1[C@H]2OC3OC([C@@]24CO4)[C@@]2(CO2)[C@@H]1O3 257356494 IKSPCKYLNCKQEI-BDRQRMBJSA-N 328.437 1.395 50 50 EDGA O=C(NNC(=O)C1CCOCC1)c1ncccc1-c1ccccn1 883059448 XTASOZRINKUURB-UHFFFAOYSA-N 326.356 1.331 50 50 EDGA COC(=O)O[C@@H](OC(=O)Cl)[C@H](OC(=O)Cl)OC(=O)OC 3132737 ZVNWXMSOYKKRFQ-QWWZWVQMSA-N 335.048 1.955 50 50 EDGA O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cccnc1 18068983 PUJUWIXVONJHAV-UHFFFAOYSA-N 345.156 1.930 50 50 EDGA Cc1cc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)no1 239321978 IZLXPVZEQYFXHU-NNWRRHMKSA-N 341.161 1.493 50 50 EDGA CC(C)CNS(=O)(=O)c1cc(C(=O)NN)c(Cl)cc1Cl 270244248 RXKAICGYIZPUIB-UHFFFAOYSA-N 340.232 1.531 50 50 EDGA COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)[C@H](F)Cl 2325880238 ZOPQRHMXZFAZQD-SMDDNHRTSA-N 327.743 1.619 50 50 EDGA Cc1cc2c(cc1C)O[C@@H](C(=O)NNc1c(C#N)c(C)nn1C)C2 1875344995 RECCZLSJODBEDC-OAHLLOKOSA-N 325.372 1.664 50 50 EDGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1O 2381355 BSNBWQCECDSFQX-VCHYOVAHSA-N 327.340 1.798 50 50 EDGA Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c([N+](=O)[O-])c1 2941997 MJPZQCUNZAOXPM-VIZOYTHASA-N 348.271 1.934 50 50 EDGA Cn1cc(Br)c(C(=O)NNC(=O)c2cccs2)n1 335344 JIPPZXUVBHJDCU-UHFFFAOYSA-N 329.179 1.319 50 50 EDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 2789387 DYZCIRHCAIKCBI-CHWSQXEVSA-N 338.791 1.921 50 50 EDGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1 43761048 SPLYDHHPGMZOCT-CAOOACKPSA-N 330.296 1.325 50 50 EDGA CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccccc2C)cc1 4992249 PYPMLCOJAIUYMW-UHFFFAOYSA-N 325.368 1.957 50 50 EDGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 4189089 WKQXQIHKGALUHT-INIZCTEOSA-N 340.295 1.372 50 50 EDGA CCOC(=O)CCNC(=O)NNC(=O)COc1ccccc1Cl 2571045 MKHILKAKPBAKHP-UHFFFAOYSA-N 343.767 1.002 50 50 EDGA Cc1nn([C@@H](C)C(=O)NNC(=S)NC2CCCC2)cc1[N+](=O)[O-] 17071245 DAFOIHXSFKNRQC-VIFPVBQESA-N 340.409 1.099 50 50 EDGA CC(=O)OC[C@@H]1[C@@H]2C(=O)O[C@@H]3[C@H]2C[C@H]1[C@@H]3I 253388566 GKYCWSYKPXPGKN-TUUAOYNMSA-N 336.125 1.161 50 50 EDGA CC(=O)OC[C@@H]1[C@@H]2C(=O)O[C@H]3[C@H]2C[C@H]1[C@@H]3I 253388565 GKYCWSYKPXPGKN-NESWFBESSA-N 336.125 1.161 50 50 EDGA O=C(Cc1ccccc1)NCC(=O)N/N=C/c1ccc(C(=O)O)cc1 1922332 VXJCDPKKMIAXAI-RGVLZGJSSA-N 339.351 1.194 50 50 EDGA O=C(CCl)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1875363471 CORLYYTURGSHHV-CQSZACIVSA-N 338.791 1.172 50 50 EDGA Cc1ccc(NC(=O)NNC(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1 1394622 GEPXYAJYGTXUOQ-HNNXBMFYSA-N 339.355 1.736 50 50 EDGA O=C(NNC(=O)[C@H]1CC(c2cccnc2)=NO1)NC1CCCCC1 1394667 YZVLRWHRYNQGNR-CQSZACIVSA-N 331.376 1.238 50 50 EDGA COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc([N+](=O)[O-])c1O 36008422 JZJLSHHWMYRTCT-VEJKBTLKSA-N 345.311 1.493 50 50 EDGA C/C(=N\NC(=O)CSc1ncccn1)c1ccc2c(c1)OCCO2 12343157 YBDUAMLADRBNIB-YBFXNURJSA-N 344.396 1.880 50 50 EDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccco1 19849347 MWSWWEJOYHZNOA-CPNJWEJPSA-N 326.400 1.548 50 50 EDGA COc1ccc(/C=N/NC(=O)CC[C@H]2C(=O)NN=C2C)c(OC)c1 100334362 IZUPUFJGTVBOJL-LFMVTYOGSA-N 332.360 1.056 50 50 EDGA Cc1nn(C)c(NNC(=O)[C@H]2CC[C@@H](c3ccccc3)O2)c1C#N 1875344718 JTMBHYPGVYDXEL-LSDHHAIUSA-N 325.372 1.964 50 50 EDGA COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(O)c1 291103 AEENMTBVKLWXSP-ZJTXRKTBSA-N 328.324 1.691 50 50 EDGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(Br)o1 611701 QHLHPPCWYDWBPF-ZETCQYMHSA-N 348.222 1.330 50 50 EDGA O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1ccccc1F 4721318 ZXRJUPFIRYJTQI-YYUCUKARSA-N 325.343 1.806 50 50 EDGA Cc1c(C(=O)NNC(=O)[C@H]2CCN2C(C)(C)C)ccn1CC1CC1 2325791523 JIGWBKVIBHBNAE-OAHLLOKOSA-N 332.448 1.840 50 50 EDGA CCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 100551226 GLMLDDAWKAPKJL-UHFFFAOYSA-N 345.399 1.976 50 50 EDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 2509123 DUDWPQVPMKWHMY-CIAFOILYSA-N 338.411 1.941 50 50 EDGA O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1ccc(Cl)cc1 135936567 ZHLDZBFPGAIYNY-YRRQLQLVSA-N 336.775 1.848 50 50 EDGA O=C(CCCl)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 5925840 POMWCEOXFWTEQP-UHFFFAOYSA-N 340.792 1.845 50 50 EDGA C[C@@H](NC(=O)c1ccc(B(O)O)c(C=O)c1)c1csc(C2CC2)n1 2325873444 HNUNKELGJIPCKS-SECBINFHSA-N 344.201 1.004 50 50 EDGA O=Cc1cc(C(=O)N(CCC(F)(F)F)C2CCC2)ccc1B(O)O 2325873750 SCOBXVLSJRKGOY-UHFFFAOYSA-N 343.110 1.126 50 50 EDGA NC(=O)CC1CCN(S(=O)(=O)c2cccc(CCl)c2)CC1 313741510 CBSMTRGHMKQLFK-UHFFFAOYSA-N 330.837 1.702 50 50 EDGA COCCCN(C(=O)CCl)[C@@H]1CC(=O)N(c2ccccc2)C1=O 217039741 LQANIZPRTKRVTD-CYBMUJFWSA-N 338.791 1.422 50 50 EDGA [N-]=[N+]=NCCOCCOCCOCCOC(=O)CBr 390835889 OTIRMTNSZUVZHO-UHFFFAOYSA-N 340.174 1.285 50 50 EDGA O=C(CS(=O)(=O)Cn1cc(Cl)cn1)N/N=C/c1ccccc1 2808659 FAJDIQLHIMOFIO-GIDUJCDVSA-N 340.792 1.059 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(O)c(O)c3)[C@@H]2C1 36378012 VPMWOQRJIKLDOQ-PBHICJAKSA-N 347.378 1.453 50 50 EDGA COc1ccccc1OCC(=O)NNC(=O)[C@@H](OC)c1ccccc1 2921326 QIDVLYWCAWALFO-KRWDZBQOSA-N 344.367 1.609 50 50 EDGA C[C@H]1[C@@H](C(=O)O)[C@@H](C(=O)O)C[C@@H](Br)[C@H]1Br 101193957 ZLBZDHSWWOYOSK-TYDWOXHJSA-N 343.999 1.955 50 50 EDGA COC(=O)CCC(=O)NNC(=O)c1cccc(Br)c1 2131411 AURSVOKYHRLJKO-UHFFFAOYSA-N 329.150 1.163 50 50 EDGA NC(=O)N/N=C1/c2ccccc2-c2c(C(=O)OCCO)cccc21 101192728 TWTOKUWDPQCFCQ-CYVLTUHYSA-N 325.324 1.237 50 50 EDGA CC(C)(C)OC(=O)N1CCN(c2ccc(B(O)O)c(Cl)c2)CC1 252516807 WZULTQKYFIKEBZ-UHFFFAOYSA-N 340.616 1.077 50 50 EDGA C[C@@H]1CC[C@H](O)O[C@@H]1COC[C@@H]1CCC[C@@H](CCC(=O)OO)O1 605700925 VHOCHYNFQXBVGU-GZBLMMOJSA-N 332.393 1.871 50 50 EDGA C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)CCl)c2)C1=O 1875377468 FFDXNJLNXPLSJH-INIZCTEOSA-N 335.791 1.767 50 50 EDGA COc1cccc([C@@H]2C[C@@H]2C(=O)NNc2c(C#N)c(C)nn2C)c1 1875349695 JDQXQDHSOXCPRS-KBPBESRZSA-N 325.372 1.856 50 50 EDGA O=C(CCl)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 1320466934 WEYMFBNUTFSRNH-UHFFFAOYSA-N 330.215 1.344 50 50 EDGA O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccc(=O)[nH]n1 5314267 HNZLHDHTQTZSJP-GCBMJNBHSA-N 347.172 1.922 50 50 EDGA CC(=O)N1CCCN(C[C@@H]2CCCN(C(=O)[C@@H](C)Cl)C2)CC1 1875375598 FQQKXGYINYFXLG-HIFRSBDPSA-N 329.872 1.407 50 50 EDGA O=C(N=c1cc[nH]cc1)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 838524491 MPVOIZYFKDBSMA-HRCADAONSA-N 337.383 1.568 50 50 EDGA N#CC(C#N)=C(N)c1nnn2c1nc(O)c1c3c(sc12)CCCC3 1775970430 BHENSSYUWAQHHJ-UHFFFAOYSA-N 337.368 1.640 50 50 EDGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)cc1 1877307 UUEPLOBTUFIJSS-SRZZPIQSSA-N 342.374 1.772 50 50 EDGA Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 2552595 PBUOCOJUHSLMOM-VXLYETTFSA-N 340.339 1.783 50 50 EDGA N#C/C(=C\c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 16440792 BMEIBNMJGNTCBC-CSKARUKUSA-N 333.394 1.941 50 50 EDGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1 4329589 QXQJQYZCXCSHJJ-RGVLZGJSSA-N 325.368 1.884 50 50 EDGA COC(=O)CCC(=O)NNC(=O)c1ccc(Br)cc1 2025855 BUVLEONNOHKPSJ-UHFFFAOYSA-N 329.150 1.163 50 50 EDGA O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccccc1C(F)(F)F 2918482 QZNXFCIXUVNUCO-FEQLDZPWSA-N 343.305 1.451 50 50 EDGA O=C(N/N=C/c1ccncc1)c1c(O)c2cccc3c2n(c1=O)CCC3 100808243 JGCDYBQTGDXJON-SRZZPIQSSA-N 348.362 1.812 50 50 EDGA COc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2ccc(F)cc21 5093031 GROORCJBESEVIK-UHFFFAOYSA-N 343.314 1.686 50 50 EDGA O=C([C@H](F)Cl)N1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 2325898669 RWAMZLIVISFAME-SVSWQMSJSA-N 342.720 1.779 50 50 EDGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)c1 4209556 GUUJYRVJNQVALH-AWQFTUOYSA-N 339.351 1.604 50 50 EDGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 2391559 MSPZKCKQRUFVBR-RGVLZGJSSA-N 348.362 1.925 50 50 EDGA Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NN)CC2)c1C 19737277 HTEHWCRLGCXUJC-UHFFFAOYSA-N 339.461 1.311 50 50 EDGA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)c(B(O)O)c1 169744308 ZOVDSMABJRDXRX-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccs2)cc1OC 2287712 WQWFXEJBGXPUTI-GIJQJNRQSA-N 347.396 1.645 50 50 EDGA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)cc(B(O)O)c1 169744275 JGVQEEYFVVEKHQ-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA COc1ccc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)cc1OC 100608201 PLGJYOUDOKIMJT-UWONZBIMSA-N 332.360 1.056 50 50 EDGA Cc1nn(C)c(NNC(=O)Cc2cnn(-c3ccccc3)c2)c1C#N 1875349617 FBBAUAKKOAWHJV-UHFFFAOYSA-N 335.371 1.472 50 50 EDGA CC(=O)N[C@H]1CC[C@@H](CC(=O)NNC(=O)/C=C/c2ccccc2C)C1 888096054 ITKFKXJVCQWUGQ-BKAAMJMJSA-N 343.427 1.851 50 50 EDGA CCc1nc2ccccc2n1CC(=O)NNC(=O)[C@H](C)CSC 170623343 APYKFAXASRATPL-LLVKDONJSA-N 334.445 1.745 50 50 EDGA O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)c(B(O)O)c1 169744078 YARGFVSGOJRMQM-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA O=C(Cc1ccccc1)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1737255 ZRYLOHNJYRVXRF-UHFFFAOYSA-N 344.283 1.507 50 50 EDGA CCN(CC)c1ccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)cc1 100609616 ZEFSSAIQBSDBPO-CLXYIWAZSA-N 329.404 1.495 50 50 EDGA COc1cc(/C=N/NC(=O)c2ccncc2)cc(OC)c1OC(C)=O 230917 FDSMFJSQSGAHRW-VXLYETTFSA-N 343.339 1.788 50 50 EDGA Cc1cc(O)cc(O)c1/C=N/NC(=O)[C@H]1COc2ccccc2O1 1021232 WAHGGSFCHHBQFB-LQZLHMKNSA-N 328.324 1.696 50 50 EDGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cc(F)ccc1F 377525 XZBIGJPGHCKWGK-CYBMUJFWSA-N 332.262 1.628 50 50 EDGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)c1 2520292 ZAWZDLVPUXLNSK-RGVLZGJSSA-N 348.362 1.925 50 50 EDGA O=C(N/N=C\c1cc(Br)ccc1F)c1ccc(O)nn1 32625374 FLRDJWPVFFIABY-UUASQNMZSA-N 339.124 1.848 50 50 EDGA Cc1ccc2c(c1)CC[C@@H](C(=O)NNc1c(C#N)c(C)nn1C)O2 1875344496 FTLRIJPRZATWSK-HNNXBMFYSA-N 325.372 1.746 50 50 EDGA O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cccc([N+](=O)[O-])c1 1877419 VLESWIDJPTUQSE-DJKKODMXSA-N 344.302 1.614 50 50 EDGA C[C@H](NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 2900521 OGHBJSMALWFTLY-HWQJWEFDSA-N 340.339 1.922 50 50 EDGA C[C@H](NC(=S)NNC(=O)c1c(Cl)cnn1C)c1ccccc1 2795348 JQIJRFBYRDWRKW-VIFPVBQESA-N 337.836 1.944 50 50 EDGA COc1ccc(OCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1 85430825 MJERGZMIZNKIOV-JZJYNLBNSA-N 339.351 1.571 50 50 EDGA O=C(N/N=C/c1cccc(Br)c1)C(=O)N1CCCCC1 2892430 FATDTRQAOXFXRF-MHWRWJLKSA-N 338.205 1.912 50 50 EDGA O=C(Cc1ccccc1)NNC(=O)c1c(O)c2ccccc2[nH]c1=O 6493960 NTVKXUSEMNTKQM-UHFFFAOYSA-N 337.335 1.237 50 50 EDGA CCN(CC(=O)NNC(=O)c1ccc[nH]1)Cc1ccccc1Cl 225807583 FQXNCMOYMIEAPD-UHFFFAOYSA-N 334.807 1.951 50 50 EDGA CN1C(=O)/C(=N/NC(=O)COc2ccc(C#N)cc2)c2ccccc21 12416828 JWDPKEOUDAORRZ-HEHNFIMWSA-N 334.335 1.434 50 50 EDGA C[C@H](C(=O)NNC(=O)c1cccc(N(C)C)c1)N(C)CC(F)(F)F 170614533 DJMAORCTPSLKBG-SNVBAGLBSA-N 346.353 1.396 50 50 EDGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1nc([N+](=O)[O-])n[nH]1 290857 FPWAQZYMXDAYSZ-VIZOYTHASA-N 326.272 1.336 50 50 EDGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2cccs2)cc1 1880826 WQEQTKHKRQRUKL-VCHYOVAHSA-N 330.413 1.694 50 50 EDGA COc1cc(/C=N\NC(=O)c2cnccn2)cc(OC)c1OC(C)=O 30952401 SNYGZNAIIXDTJQ-UWVJOHFNSA-N 344.327 1.183 50 50 EDGA CN(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 5051160 ADNMIFCOLHEXJA-XFXZXTDPSA-N 345.380 1.589 50 50 EDGA O=C(O)c1ccc(F)c(S(=O)(=O)NNC(=O)c2cccs2)c1 2325715676 JTHBEOSHFIUEET-UHFFFAOYSA-N 344.345 1.209 50 50 EDGA CC1(C)CC(NC(=O)CI)CC(C)(C)N1[O] 100029284 UCTVRHAKQRFPEZ-UHFFFAOYSA-N 339.197 1.905 50 50 EDGA Cc1nn(C)c(NNC(=O)c2ccc(OCC3CC3)nc2)c1C#N 1875349673 IHMZLGJJDWRRGI-UHFFFAOYSA-N 326.360 1.541 50 50 EDGA CC(=O)Nc1ccc(OCC(=O)N/N=C/c2cc(C)nn2C)cc1 17067456 VJTFXZCKVXLAKB-RQZCQDPDSA-N 329.360 1.216 50 50 EDGA C[C@@H](Cl)C(=O)NCCNC(=O)c1ccc(Br)cn1 1875376492 YVABSSOCGKVJKM-SSDOTTSWSA-N 334.601 1.317 50 50 EDGA COc1ccccc1/C=N/NC(=O)CNC(=O)c1cccc(C)c1 4229855 GJOYWHHRKWYKEQ-RGVLZGJSSA-N 325.368 1.884 50 50 EDGA Cc1ccc([C@@]2(SCCO)OC(N)=C(C#N)C2=C(C#N)C#N)cc1 257540539 SHLOICOUGXVOLJ-KRWDZBQOSA-N 338.392 1.941 50 50 EDGA Cc1nn(C)c(NNC(=O)[C@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)c1C#N 1875345887 LRZJXJFUHQDHLP-GWOFURMSSA-N 343.309 1.399 50 50 EDGA CCOc1cc([C@@H]2CC(=O)NC(SCC(N)=O)=C2C#N)ccc1O 2158263 JPQSGELWOZFNPL-JTQLQIEISA-N 347.396 1.348 50 50 EDGA CCn1cc(Br)c(/C=N/NC(=O)c2n[nH]cc2Cl)n1 6412738 BXVGSRZEPQNEQD-LNKIKWGQSA-N 345.588 1.806 50 50 EDGA Cc1nn(C)c(N2CCCN(C)CC2)c1CNC(=O)[C@@H](C)Cl 1875363712 USNFCJDEEHASKV-LLVKDONJSA-N 327.860 1.114 50 50 EDGA COc1ccc(NC(=O)c2ccc(B(O)O)c(Cl)c2)c(OC)c1 169744071 OQVUGMGWJFGUGV-UHFFFAOYSA-N 335.552 1.289 50 50 EDGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 1879113 DAYQXSDHVPWTCQ-DJKKODMXSA-N 344.302 1.614 50 50 EDGA O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccccc1F 30791448 ZXRJUPFIRYJTQI-XWPOGNRXSA-N 325.343 1.806 50 50 EDGA Cc1ccc2c(c1)/C(=N/NC(=O)C(=O)Nc1ccc(O)cc1)C(=O)N2 3468093 VOHNYCYHJRXQRU-UHFFFAOYSA-N 338.323 1.112 50 50 EDGA CN(C(=O)c1ccc(B(O)O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 169744569 DUYBIKOQNIGBTD-UHFFFAOYSA-N 334.524 1.205 50 50 EDGA Cc1ccc(OCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc1 130448 SJKOHUMIYMQRAO-INIZCTEOSA-N 342.351 1.361 50 50 EDGA C=CCN1C(=O)/C(=C\C(=O)O)S/C1=N/NC(=O)OC(C)(C)C 33322135 ADWROWZTLWMSGW-DQBULIGTSA-N 327.362 1.512 50 50 EDGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccncc1 19367162 NATOGFUQGXPNGR-KGENOOAVSA-N 337.427 1.350 50 50 EDGA O=C(N/N=C/c1ccccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1957574 PJYAGBOBNQNKHA-OVCLIPMQSA-N 330.256 1.973 50 50 EDGA Cc1nn(C)c(NNC(=O)c2nn(-c3ccccc3)cc2O)c1C#N 1875350034 YIYDHCXRTUKNSF-UHFFFAOYSA-N 337.343 1.248 50 50 EDGA C#CCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCl 1875389252 HVXPOUOAJGQCSV-HNNXBMFYSA-N 331.803 1.574 50 50 EDGA O=C(O)COc1ccc(/C=N/NC(=O)COc2ccc(F)cc2)cc1 2519897 KAVSAMPGXCGPHD-DJKKODMXSA-N 346.314 1.818 50 50 EDGA COc1cccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)c1OC 4474875 IVRZIHYGYHIHDG-XYOKQWHBSA-N 339.355 1.411 50 50 EDGA O=C(N/N=C\c1cccnc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 32573558 HSDKIVYGSYGNGY-IDUWFGFVSA-N 340.299 1.592 50 50 EDGA O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N/N=C/c1cccs1 2141361 BGZCEIWMSLRIEA-LZYBPNLTSA-N 347.356 1.928 50 50 EDGA COc1ccc(S(=O)(=O)NNC(=O)c2ccccc2Cl)cc1 299535 JECNLIDYRWOZJD-UHFFFAOYSA-N 340.788 1.972 50 50 EDGA OCCO[C@@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 252430985 XGIKSUJJSGSNBH-WNJXEPBRSA-N 327.652 1.826 50 50 EDGA O=C(CN1CCSCC1)N/N=C/c1ccc(Br)cc1 4990340 GSODRVUWUZGACL-OQLLNIDSSA-N 342.262 1.948 50 50 EDGA NNC(=O)/C(=N\Nc1ccc(F)cc1)S(=O)(=O)c1ccccc1 297193 MAXVXWFTZIEDEL-XMHGGMMESA-N 336.348 1.015 50 50 EDGA COCC(=O)NNC(=S)Nc1sc(C)c(C)c1C(=O)OC 2853279 ODDTXURVUFRIGQ-UHFFFAOYSA-N 331.419 1.116 50 50 EDGA Cc1cccc(C)c1-n1nnnc1C1(NNC(N)=O)CCCCC1 4952435 VDYGNHSZLRACTB-UHFFFAOYSA-N 329.408 1.611 50 50 EDGA COc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)ccc1O 291117 PDARJWADCUZXJW-TWIVVOHQSA-N 328.324 1.691 50 50 EDGA CCNC(=S)NNC(=O)CSc1nc2ccccc2n1CC 15846107 GUSLZAFQINJPHJ-UHFFFAOYSA-N 337.474 1.664 50 50 EDGA Cc1scc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1C 138288102 XAQVXSCIVYABAS-XRRVDJEJSA-N 336.413 1.873 50 50 EDGA CC(C)(O)C(C)(C)OB(O)c1ccc(OCCBr)cc1 200329455 PGZLARNDQPMIRQ-UHFFFAOYSA-N 345.042 1.714 50 50 EDGA COc1c(Br)cc(Br)c(B(O)O)c1F 575442765 XMAPPCWXIAXOOR-UHFFFAOYSA-N 327.740 1.039 50 50 EDGA COc1ccc(COc2cc(B(O)O)cc(C(F)(F)F)c2)cc1 169745554 PONOBGDQRZFFPE-UHFFFAOYSA-N 326.079 1.973 50 50 EDGA in-vitro Cc1cccc(OCC(=O)NNC(=O)Nc2ccc3c(c2)OCO3)c1 17071641 FZFAFXMJSBTNAS-UHFFFAOYSA-N 343.339 1.955 50 50 EDGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@@H]1COc2ccccc2O1 291187 XXTQEWLVRQUOKU-QNKXHIPISA-N 333.325 1.946 50 50 EDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2ccc(C)o2)C1 13320770 GMMFYHAZCROMEM-DGGAMASNSA-N 327.406 1.100 50 50 EDGA O=C(COc1ccccc1Cl)NN=c1c(=O)c2ccccc2c1=O 2582108 JQRJLBFQRAIYLU-UHFFFAOYSA-N 342.738 1.100 50 50 EDGA NC(=O)Cn1cc(/C=N/NC(=O)c2ccncc2)c(-c2ccccc2)n1 2750856 NBVKLTZWTIWCBC-UFFVCSGVSA-N 348.366 1.194 50 50 EDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)c1O 2222993 ZBLZEVQPDZRXNP-AWQFTUOYSA-N 345.330 1.420 50 50 EDGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F 2891731 DUJHJYXQERKSHQ-QGMBQPNBSA-N 329.287 1.643 50 50 EDGA COc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 220366 YAMZDHNTKBYIHD-ZXMBATIKSA-N 329.312 1.787 50 50 EDGA CC(=O)N1C[C@H](C(=O)NN(C)c2ccccc2)Oc2ccccc21 752504979 PGUMDRICFQJLRO-QGZVFWFLSA-N 325.368 1.968 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC)c2)cc1 2176489 AVDNIDWFLDTZRQ-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA CCOc1ccc([C@H]2CC(=O)NC(SCC(N)=O)=C2C#N)cc1 278808 TVHWWLJIIVWKNZ-GFCCVEGCSA-N 331.397 1.642 50 50 EDGA COc1ccc(/C=N/NC(=O)c2cccnc2)c(C(=O)O)c1OC 242625 KBKPHVNXOVQNEB-GIJQJNRQSA-N 329.312 1.561 50 50 EDGA CCCS(=O)(=O)[C@@H](CCl)CN1C(=O)c2ccccc2C1=O 41475 NYDUBDGNENSSGA-JTQLQIEISA-N 329.805 1.715 50 50 EDGA CC(C)CNC(=O)C(=O)N/N=C/c1cccc(Br)c1 2901843 LVTDIMJIRMIQCK-LZYBPNLTSA-N 326.194 1.671 50 50 EDGA Cn1cc(Cl)c(C(=O)NNC(=S)Nc2ccc(F)cc2)n1 373515 LAEFOALBSXFJLI-UHFFFAOYSA-N 327.772 1.844 50 50 EDGA Cc1nn(C)c(NNC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(F)(F)F)c1C#N 1875345886 LRZJXJFUHQDHLP-DBIOUOCHSA-N 343.309 1.399 50 50 EDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 4355612 DQASLHBYZWUIDQ-LICLKQGHSA-N 342.311 1.692 50 50 EDGA O=C(CCl)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 1336910727 ZDUSGRHQXYYGMZ-UHFFFAOYSA-N 335.791 1.677 50 50 EDGA CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(Br)cc1 2892475 RWKRFZKIZRSRCJ-OVCLIPMQSA-N 326.194 1.814 50 50 EDGA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)no1 160075 KOSZDYWVAWNFNA-UHFFFAOYSA-N 329.765 1.961 50 50 EDGA O=C1[C@@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]2[C@H]4[C@H]1Br 238833369 ASRUXQHQIUKJHH-RAZZOAKPSA-N 334.007 1.793 50 50 EDGA in-vitro C#CCSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1cccnc1 4594174 ISCIEXGQHZZFNE-NSHDSACASA-N 336.380 1.397 50 50 EDGA Cc1cc2c(c(=O)[nH]1)[C@@H]([C@H]1C(=O)Nc3ccccc31)C(C#N)=C(N)O2 221529916 FEJULTUTFBRIBH-KGLIPLIRSA-N 334.335 1.589 50 50 EDGA COc1cc(/C=C(/C#N)C(=O)O)cc(I)c1O 5675367 NESOLHSCLFAVRQ-UQCOIBPSSA-N 345.092 1.997 50 50 EDGA O=C1NN=C(C(F)(F)F)C1=CNNC(=O)c1cccc(Cl)c1 1857777773 QEYRABBIDXIJNN-UHFFFAOYSA-N 332.669 1.506 50 50 EDGA Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NN)CC2)c(C)c1 561058 YPPIBWYCRDGDBE-UHFFFAOYSA-N 325.434 1.002 50 50 EDGA [O-][n+]1c(CBr)c(CBr)[n+]([O-])c2ccccc21 3190997 DQKNFTLRMZOAMG-UHFFFAOYSA-N 347.994 1.896 50 50 EDGA in-vitro CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2cccc(F)c2)C1 13320781 JSYAZNYPLXLCQV-VGSSETLESA-N 341.408 1.338 50 50 EDGA O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)Nc1ccccc1 13629205 XOSPPUVMMDHAJX-LBPRGKRZSA-N 342.355 1.481 50 50 EDGA C[C@H](C(=O)NNC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 496302439 HHPSEMJQCKOWQA-AAEUAGOBSA-N 339.436 1.827 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2F)c(OC)c1 2897852 ZDPYCKWUPRXYIP-VXLYETTFSA-N 345.330 1.932 50 50 EDGA C[C@@H]1CC[C@H](O)O[C@@H]1COC[C@H]1CCC[C@H](CCC(=O)OO)O1 605700926 VHOCHYNFQXBVGU-KJWHEZOQSA-N 332.393 1.871 50 50 EDGA O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 2903147 AZTZBXOBBQOEAF-VXLYETTFSA-N 325.324 1.182 50 50 EDGA C[C@H](Cl)C(=O)N[C@@H](C(=O)N1CCC[C@@H](C)C1)c1cnn(C)c1 1875378268 YLVRYZORWNMYCM-NTZNESFSSA-N 326.828 1.463 50 50 EDGA O=C(O)CCSSCCNC(=O)c1cnn2ccsc12 1875388701 MOPZXRWOJXTYKI-UHFFFAOYSA-N 331.444 1.982 50 50 EDGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 43190569 IZAMGLIIJOYWAF-DJKKODMXSA-N 344.302 1.614 50 50 EDGA O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(B(O)O)c1 230543443 YYUDHKUGUSYLJD-UHFFFAOYSA-N 325.051 1.517 50 50 EDGA COc1ccccc1OCC(=O)N/N=C1\C(=O)Nc2ccccc21 5729880 LHFSQZAIXVOCHN-UHFFFAOYSA-N 325.324 1.547 50 50 EDGA CC(=O)c1cccc(OCC(=O)NNC(=O)NCC(F)(F)F)c1 170619921 GFSLYNOIFOZPEY-UHFFFAOYSA-N 333.266 1.161 50 50 EDGA C[C@H](Oc1ccc(Br)cc1Br)C(=O)NN 6249389 QWESUIKEYKFAEH-YFKPBYRVSA-N 337.999 1.969 50 50 EDGA COC[C@@H](C)C(=O)NNc1cc(C(=O)OC)ccc1Br 293875243 CTDYBDOQHNAVFM-MRVPVSSYSA-N 345.193 1.961 50 50 EDGA COc1ccccc1/C=N/NC(=O)c1nn(C)cc1Br 132360 LKOMROHECOZOGV-VIZOYTHASA-N 337.177 1.955 50 50 EDGA N#C/C(=C\c1cc(Br)ccc1O)C(=O)N1CCOCC1 449647 MJLWFPXVPOYHOQ-YRNVUSSQSA-N 337.173 1.920 50 50 EDGA COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(OC)c1OC 18107583 CGZVPAKAARMFOV-CQSZACIVSA-N 342.355 1.962 50 50 EDGA CC(C)c1c(Cl)ncnc1NNC(=O)c1ccc(C(N)=O)nc1 240471613 GDFSVVUISGGSLQ-UHFFFAOYSA-N 334.767 1.504 50 50 EDGA C[C@@H](Cl)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 1875364475 NDSIGQBLPHNVGQ-SECBINFHSA-N 336.866 1.645 50 50 EDGA Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1 2591207 HWWLAVMMPYLRAQ-UHFFFAOYSA-N 334.397 1.692 50 50 EDGA O=S1(=O)[C@H]2CCN1C[C@@H](Br)[C@H](Br)C2 257358883 WYWMLKGKCPVNFT-RRKCRQDMSA-N 333.045 1.321 50 50 EDGA Cc1ccc(NC(=S)NNC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1 8581835 DXLFDHJYVMLRPD-UHFFFAOYSA-N 348.388 1.577 50 50 EDGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@]12C(=O)N1CCCc3cccc2c31 1461545 ZLCKLSOUMGGZBK-FQEVSTJZSA-N 347.374 1.948 50 50 EDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2)cc1OC 1921967 ZQZRIHFRIRODQY-RGVLZGJSSA-N 341.367 1.584 50 50 EDGA biogenic Cc1cccc(O[C@H](C)C(=O)NNC(=S)NC[C@@H]2CCCO2)c1 17070923 BDTTUFGLQGPPLV-OCCSQVGLSA-N 337.445 1.437 50 50 EDGA C[C@H](c1ccccc1N1CCCS1(=O)=O)N(C)C(=O)CCl 1875366454 LAFPOIVLFRZMDL-LLVKDONJSA-N 330.837 1.985 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 4283146 FOVLRVZHDCGBPX-LICLKQGHSA-N 342.311 1.692 50 50 EDGA O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)[C@H]1COc2ccccc2O1 250538134 RRTKYDGCZQQLJE-BCUIYNNISA-N 330.384 1.800 50 50 EDGA CCn1ncc(NC(=S)NNC(=O)CCn2ccc(C)n2)c1C 2802651 XTVNTQDTYWIWOJ-UHFFFAOYSA-N 335.437 1.124 50 50 EDGA O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21)c1ccncc1 19790862 ULBWTRHMUVBKGI-FXBPSFAMSA-N 349.394 1.616 50 50 EDGA COC(OC)[C@]1(C)C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 4108631 KBOFHVOIGMXURS-QGZVFWFLSA-N 328.324 1.756 50 50 EDGA O=C(CCl)N1CCN(Cc2nc(-c3cccs3)no2)CC1 1323268522 FMGYADKKUHYGCE-UHFFFAOYSA-N 326.809 1.681 50 50 EDGA C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)NN 66324348 KNSFUMMCJLHWSO-NSHDSACASA-N 333.417 1.514 50 50 EDGA COc1c(O)ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1[N+](=O)[O-] 437426 KQVNUQIUOQERQC-IREQLNLFSA-N 345.311 1.493 50 50 EDGA CCn1cc(S(=O)(=O)N2CCC3(CC2)C[C@H]3Br)cn1 1775989622 QVCUSNMAPRBLRW-LLVKDONJSA-N 348.266 1.841 50 50 EDGA CCc1cc(CC)c(/C=N/NC(N)=O)c(CC)c1/C=N/NC(N)=O 42581 ZWPYBHVQAFHSHG-PQEHHWQQSA-N 332.408 1.378 50 50 EDGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1 4209926 NXQSOKDYQBXYMC-RQZCQDPDSA-N 330.275 1.823 50 50 EDGA Cc1ccc2nc(Cl)c(/C=N/NC(=O)CN3CCOCC3)cc2c1 19770621 IDOJCCJIVDOEQT-VXLYETTFSA-N 346.818 1.979 50 50 EDGA Cc1cc(C)nc(SCC(=O)NNC(=O)c2ccccc2C)n1 1443646 ZSONUSDPOWUALV-UHFFFAOYSA-N 330.413 1.955 50 50 EDGA COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccco3)CC2=O)cc1 529161 PSRQTSGBVKNQIU-LLVKDONJSA-N 343.339 1.102 50 50 EDGA CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc(B(O)O)c2)CC1 217044998 DDQWDOQYDHNTOT-UHFFFAOYSA-N 340.616 1.077 50 50 EDGA CN1CCC(=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 55433613 ZDLDDOVIANQAFU-UHFFFAOYSA-N 342.321 1.842 50 50 EDGA CCOc1ccc(C=NNC(=O)Nc2nonc2N)c(OCC)c1 252679544 NZJBGSXBIQGPQY-UHFFFAOYSA-N 334.336 1.605 50 50 EDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 2789388 DYZCIRHCAIKCBI-STQMWFEESA-N 338.791 1.921 50 50 EDGA O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(B(O)O)c(Cl)c1 169744570 FNAKSIFZYZYIBE-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 190088 BTNLEDPMVMFTKH-OAHLLOKOSA-N 343.295 1.994 50 50 EDGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 7782499 PODIMKJCFOEKMI-LICLKQGHSA-N 326.312 1.992 50 50 EDGA O=C(CCl)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 1875375086 QIQLUKPLBMSYAA-UHFFFAOYSA-N 335.791 1.911 50 50 EDGA C[C@H](Cl)C(=O)Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 1857784254 ZLCPANNYLITKHC-QPUJVOFHSA-N 349.774 1.013 50 50 EDGA COc1ccc(OC)c(NC(=O)C(=O)NNC(=O)c2cccs2)c1 4833056 XVMMHHMFPNDZJZ-UHFFFAOYSA-N 349.368 1.165 50 50 EDGA CCCC(=O)N1CCC[C@@H]1C(=O)NCCSSCCC(=O)O 1875361832 DKBAGFVUSJUZHT-LLVKDONJSA-N 348.490 1.750 50 50 EDGA CC1(C)C(c2ccco2)=[N+]([O-])[C@@]2(CCCCC/C2=N\NC(N)=O)N1O 15685473 QSSUZBYLNSSKLL-IQFISFIMSA-N 349.391 1.747 50 50 EDGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1ccccc1 41886 QPVWITGOTGSPCO-UHFFFAOYSA-N 330.300 1.827 50 50 EDGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)NCc2ccco2)cc1 2141347 RSEBKOQURKYTNQ-KEBDBYFISA-N 343.387 1.295 50 50 EDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)[C@@H]1COc2ccccc2O1 1922829 FTHRCKNDVXGPHI-WZCGUGGKSA-N 343.295 1.591 50 50 EDGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1OC 2902475 CAIYJXQJQLUEGQ-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA CC(C)C(=O)NNC(=O)c1nc2ccccn2c1Br 1775998752 HZZOMBGNDMYMAP-UHFFFAOYSA-N 325.166 1.514 50 50 EDGA COc1ccccc1/C=C/C=N/NC(=O)CC[C@H]1C(=O)NN=C1C 100507360 VUPTWJALUJWCMF-TWXJKOSLSA-N 328.372 1.713 50 50 EDGA COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)c(OC)c1 2892323 IEILUZGATCJVGX-WOJGMQOQSA-N 333.388 1.603 50 50 EDGA C[C@@H](c1ccccc1N1CCCS1(=O)=O)N(C)C(=O)CCl 1875366455 LAFPOIVLFRZMDL-NSHDSACASA-N 330.837 1.985 50 50 EDGA O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1675744 TVWCBXOCFSQNHO-UHFFFAOYSA-N 330.256 1.578 50 50 EDGA biogenic C[C@@H](Cl)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 1875364677 PZKGXJVFOYKWTO-MFKMUULPSA-N 344.242 1.638 50 50 EDGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)ccc1O 2573260 WROLXFCDONBBHC-AWQFTUOYSA-N 345.330 1.420 50 50 EDGA O=C(CCCC[C@H]1CCSS1)NCCOCCOCCO 230493759 VTTNIUWBGVLVEK-ZDUSSCGKSA-N 337.507 1.842 50 50 EDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccc(Cl)cc1Cl 100151437 JOOYOVSKIWJDHP-JIURPICXSA-N 327.171 1.956 50 50 EDGA CC(=O)N1CCCN(C[C@H]2CCCN(C(=O)[C@H](C)Cl)C2)CC1 1875375597 FQQKXGYINYFXLG-DZGCQCFKSA-N 329.872 1.407 50 50 EDGA CCCn1c(SCCBr)nc2c1c(=O)[nH]c(=O)n2C 5285344 VIXVJBPLVXRQKZ-UHFFFAOYSA-N 347.238 1.320 50 50 EDGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N(C)c2ccccc21 4653848 HGGUIKFLKALPBS-APBUJDDRSA-N 335.363 1.878 50 50 EDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1c(O)ccc2ccccc12 100557085 QMMIGIMWOGZCDF-UZPSYVQNSA-N 338.367 1.898 50 50 EDGA CCCN1CCC[C@H](C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 685943714 MONOBXWQOBVSOR-ZDUSSCGKSA-N 334.376 1.478 50 50 EDGA C/C(=N\NC(=O)CNC(=O)COc1ccccc1)c1ccccc1 4989766 LRTRVRGBXJNFFH-XSFVSMFZSA-N 325.368 1.722 50 50 EDGA Cc1ccsc1/C=N/NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 17067566 NGLCGAGTDLLQDA-KYJZABPNSA-N 329.447 1.178 50 50 EDGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@@H]2O)[C@]2(CCCO2)[C@H]1O3 257355641 BUVOCDLIEPMCIL-LYUQKSEZSA-N 344.480 1.767 50 50 EDGA O=C1NN=C(C(F)(F)F)C1=CNNC(=O)c1ccc(Cl)cc1 1857777782 XVLRJRMQHMAJHP-UHFFFAOYSA-N 332.669 1.506 50 50 EDGA C[C@@]1(C(=O)O)[C@@H](C(=O)NNC(=O)Cc2ccccc2)[C@H]2C=C[C@H]1C2 101274026 PABRTHCETSBUHF-OVAAFMSASA-N 328.368 1.290 50 50 EDGA Cc1ccc(C(=O)NNC(=S)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 611963 SXRFTDYSHNAQLS-NSHDSACASA-N 338.389 1.191 50 50 EDGA C[C@@H](Cl)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1875363693 SAKQPJIGOCPEJX-ZYHUDNBSSA-N 348.827 1.722 50 50 EDGA O=C(NNC[C@H](O)C(=O)OCc1ccccc1)OCc1ccccc1 1857780934 ZBNMUJGEKQCRFJ-INIZCTEOSA-N 344.367 1.522 50 50 EDGA O=C(NNC(=O)[C@H]1CC(c2cccs2)=NO1)NC1CCCCC1 5769820 HSRWWMLSYVUYDH-GFCCVEGCSA-N 336.417 1.904 50 50 EDGA O=C(O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 3096798 VOMZWEHNLZQWPA-RQZCQDPDSA-N 343.295 1.822 50 50 EDGA O=C(COc1ccccc1Cl)NNC(=O)c1ccc(O)cc1O 5772091 NOLGVTIFWTVXEB-UHFFFAOYSA-N 336.731 1.591 50 50 EDGA COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)c1 4354985 VUPDPEHAMUDBJK-KEBDBYFISA-N 341.367 1.589 50 50 EDGA O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 2566882 KDFHMQUBKZONTK-DJKKODMXSA-N 344.302 1.614 50 50 EDGA Cc1cc(C)n2nc(C(=O)N/N=C/c3c[nH]c4ccccc34)nc2n1 131585 ZZLKWPPTYOKSAH-DJKKODMXSA-N 333.355 1.986 50 50 EDGA O=C(COc1ccccc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 225544 OFJBTGDAFDUATG-CAOOACKPSA-N 343.295 1.853 50 50 EDGA Cn1c(SCC(=O)NN)nnc1-c1ccc(Br)cc1 2568953 AUAKFAXSFVZVNJ-UHFFFAOYSA-N 342.222 1.327 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 2900254 ZGYABPWAISQQSM-VCHYOVAHSA-N 343.339 1.498 50 50 EDGA CCN(CC)c1ccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)cc1 100609620 ZEFSSAIQBSDBPO-LZNAANCOSA-N 329.404 1.495 50 50 EDGA CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@]1(C#N)C(N)=C(C#N)C#N 254772081 VNPUEYKXIVLMAX-OLMNPRSZSA-N 331.335 1.627 50 50 EDGA CC1(C)[C@H](C(=O)NNC(=O)c2cccc(O)c2)CC[C@@]1(C)C(=O)O 6681879 SGWCHEDLDTVZLW-SJCJKPOMSA-N 334.372 1.680 50 50 EDGA NNC(=O)CN[C@@H](c1ccccc1)c1cc(Br)ccc1N 55129587 BWSIVMVSKXLDLT-HNNXBMFYSA-N 349.232 1.700 50 50 EDGA C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)CCl 1776005630 FBZFQLRJYGOIMU-SECBINFHSA-N 326.846 1.748 50 50 EDGA C[C@@]1(C(=O)NNC(=S)NC[C@H]2CCCO2)CC1(Cl)Cl 2853459 ZUIZJYQOZTUDAN-XCBNKYQSSA-N 326.249 1.245 50 50 EDGA O=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/c1ccccc1O 2141307 MNJIGTCVPGGYDG-DJKKODMXSA-N 330.319 1.803 50 50 EDGA [N-]=[N+]=NCCOCCOCCOCCI 205373268 UFRYEFKWTSOFBV-UHFFFAOYSA-N 329.138 1.782 50 50 EDGA CC(=O)Nc1cccc(/C(=N/NC(=O)c2ccncc2)C(=O)O)c1 5495550 ZVZHQBUSGGIFHY-RGEXLXHISA-N 326.312 1.259 50 50 EDGA CCOC(=O)c1c2ccc(OCC(=O)NN)cc2n2ccccc12 1398659 ONNYYHCXUXPIRO-UHFFFAOYSA-N 327.340 1.638 50 50 EDGA CCOc1cccc(C(=O)NNC(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)O)c1 138546087 NZXPDTQRUPAFTC-LWWSYDQCSA-N 346.383 1.593 50 50 EDGA COC[C@H](C)C(=O)NNc1cc(C(=O)OC)ccc1Br 293875248 CTDYBDOQHNAVFM-QMMMGPOBSA-N 345.193 1.961 50 50 EDGA COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(OC)c1OC 247324 RHDQELQEVCJYMF-GUNGLEHYSA-N 346.383 1.915 50 50 EDGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1 18137516 ATRZEYKVGNFNIL-OAHLLOKOSA-N 339.351 1.919 50 50 EDGA O=C(NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)Nc1cccc(F)c1 1398963 CTAJHYUUWQOTHA-AWEZNQCLSA-N 343.318 1.567 50 50 EDGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1cccc(F)c1 15934108 XEJXPRINHUVKNO-UHFFFAOYSA-N 348.290 1.966 50 50 EDGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1 2568384 FILGKCAVGYWXPW-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccn1 101392449 ATEWHUKSFRTPJG-ZDUSSCGKSA-N 344.758 1.302 50 50 EDGA O=C(CCC(=O)N/N=C1\C[C@@H]2CC=C[C@H]12)N/N=C1\C[C@@H]2CC=C[C@H]12 245226034 FPNBGHWYIAPUGB-UIZPMEKBSA-N 326.400 1.903 50 50 EDGA CCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(Br)cc1 15845636 OLDOHJOIRNXSOV-MRVPVSSYSA-N 346.250 1.732 50 50 EDGA COc1cccc(NC(=O)c2cc(Br)cc(B(O)O)c2)c1 169744781 FQZDPFZONIEUAH-UHFFFAOYSA-N 349.977 1.390 50 50 EDGA COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1O 291097 QUWGRTJBMWADOI-ZJTXRKTBSA-N 328.324 1.691 50 50 EDGA O=C(NNC(=O)[C@@H]1CCc2nc(C3CC3)ncc2C1)c1ccccn1 1875280293 QHMWLXCVYQWUSG-GFCCVEGCSA-N 337.383 1.315 50 50 EDGA O=C(CCC(=O)NNC(=O)NC1CCCCC1)NCc1ccccc1 6686310 JDROVHZKOBCBQL-UHFFFAOYSA-N 346.431 1.746 50 50 EDGA O=C(O)c1cccc(S(=O)(=O)c2ccc3c(c2)C(=O)OC3=O)c1 98006804 LJVVXBBQWRGHNC-UHFFFAOYSA-N 332.289 1.528 50 50 EDGA COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)[C@@H](F)Cl 2325880235 ZOPQRHMXZFAZQD-BXUZGUMPSA-N 327.743 1.619 50 50 EDGA CN(C)S(=O)(=O)c1ccc(C(=O)NC(C#N)=C(Cl)Cl)cc1 1857799650 QPGJHKIITFDNMN-UHFFFAOYSA-N 348.211 1.837 50 50 EDGA CS(=O)(=O)N1C[C@@H]2C[C@H](Br)[C@H](Br)C[C@@H]21 254305678 UQJJYSWVHVITOL-HSNKUXOKSA-N 347.072 1.567 50 50 EDGA CC(=O)N[C@H]1CC[C@@H](CC(=O)NNC(=O)COc2ccccc2C)C1 888096200 NLYCLBMFJLYNOE-CABCVRRESA-N 347.415 1.216 50 50 EDGA COc1ccc(OC)c(/C=N/NC(=O)Cn2nnc3ccccc32)c1 228862 BDQGWWDRIOALRB-VCHYOVAHSA-N 339.355 1.599 50 50 EDGA COc1ccccc1OCC(=O)N/N=C/c1cccc(OC)c1O 510859 QVOKMZWSEVJPLQ-VCHYOVAHSA-N 330.340 1.939 50 50 EDGA COc1ccccc1OCC(=O)N/N=C1\C(=O)N(C)c2ccccc21 15354375 GRLCWFHGTSFDTD-JZJYNLBNSA-N 339.351 1.571 50 50 EDGA COc1ccc(Cc2nc3ccccc3n2CC(=O)NN)cc1OC 3165633 LQMHJPDOXXGYRH-UHFFFAOYSA-N 340.383 1.634 50 50 EDGA O=C(Cc1ccc(Cl)cc1)NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 4651842 DCJKKDCWRRGGPX-STQMWFEESA-N 336.775 1.697 50 50 EDGA O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(B(O)O)cc1 169744302 XYVYDFVWUVSDNA-UHFFFAOYSA-N 345.107 1.186 50 50 EDGA COc1ccc(OC)c([C@H]2CC(=O)NC(SCC(N)=O)=C2C#N)c1 348452 CITHNECSPANIOY-SNVBAGLBSA-N 347.396 1.261 50 50 EDGA CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@H]4OO[C@]42[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C 101171780 VDVYIMWLGLOPHL-CRAGLPIHSA-N 346.423 1.792 50 50 EDGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2)cc1 4283470 BUFXTGXALZRTMM-RGVLZGJSSA-N 341.367 1.584 50 50 EDGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OC 18136419 XSGBYRDMEONAGX-CQSZACIVSA-N 339.351 1.919 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2900313 NIKLDDKDDITJNA-GIJQJNRQSA-N 341.323 1.513 50 50 EDGA COc1cccc2[nH]cc(CC(=O)NNc3c(C#N)c(C)nn3C)c12 1875349887 RGOOTHKFAOELLV-UHFFFAOYSA-N 338.371 1.776 50 50 EDGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 2571768 DVOIKNUKCMHOTF-LICLKQGHSA-N 326.312 1.992 50 50 EDGA O=C(NNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)c1nc2ccccc2s1 828985048 OAJOZLXJGTYKAV-LODQBSKSSA-N 329.381 1.481 50 50 EDGA Cc1scc(C(=O)NNC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)c1C 138798768 AJXALPZZKVFHDX-WISYIIOYSA-N 338.385 1.004 50 50 EDGA O=C(NNC(=O)C1CCC1)c1nc(Br)c2ccccn12 932516142 CMWOMERCBYBUND-UHFFFAOYSA-N 337.177 1.658 50 50 EDGA CSCC(=O)NNC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1 2325710622 KKTAMOGQTUMUHR-YPMHNXCESA-N 335.429 1.107 50 50 EDGA C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSS(=O)(=O)O 2449185 LOLSNMGBYMXYPW-SECBINFHSA-N 328.415 1.751 50 50 EDGA biogenic O=C(CN1CCCc2ccccc21)NNC(=O)[C@H]1CCCN1C1CC1 170615859 RFJSSWGBIUEHHF-QGZVFWFLSA-N 342.443 1.213 50 50 EDGA COc1ccc(NC(=S)NNC(=O)c2cccnc2)cc1OC 13497314 SBKWCYAQAZYHBG-UHFFFAOYSA-N 332.385 1.730 50 50 EDGA Cc1nn(C)c(NNC(=O)COCc2ccccc2Cl)c1C#N 1875345027 SPTFUDIXRIXVPN-UHFFFAOYSA-N 333.779 1.914 50 50 EDGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)Nc1ccc(F)cc1 38175578 SPAMOTHHRCXOKG-CAOOACKPSA-N 346.274 1.528 50 50 EDGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1 3080496 GWEYUDPLSZJBSW-DJKKODMXSA-N 331.759 1.926 50 50 EDGA COc1cc(C(=O)N/N=C/c2ccc(O)cc2O)cc(OC)c1OC 249334 JOKJKFWLLVQANX-GIJQJNRQSA-N 346.339 1.888 50 50 EDGA biogenic CCN(CC)c1ccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)c(O)c1 100188132 IYEKUTZZEZVJDI-YFEUJDIGSA-N 345.403 1.201 50 50 EDGA C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)[C@@H](C)Cl 1875364894 XJDMLBPNXDUOAD-WDEREUQCSA-N 337.807 1.836 50 50 EDGA COC(OC)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)o1 225384779 MAAUBXUTLCCKNA-UHFFFAOYSA-N 349.299 1.554 50 50 EDGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1 100847045 KOTBCVFSKYYBBU-BPKVKKHESA-N 331.332 1.337 50 50 EDGA Cc1ccc(C(=O)NNC(=O)c2c(O)[nH]c3ccccc3c2=O)cc1 8995522 JBHSGBFCPLDLNQ-UHFFFAOYSA-N 337.335 1.617 50 50 EDGA Cc1nn(C)c(NNC(=O)c2ccnc(OC3CCC3)c2)c1C#N 1875349618 FCGVNVSUMIRYJL-UHFFFAOYSA-N 326.360 1.683 50 50 EDGA CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)[C@H]1CCC(=O)NC1)C2 1775984583 NHZDXXQSPXXDLH-UBRMWZFSSA-N 349.431 1.374 50 50 EDGA CC(C)=NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1 431920 UMGBMJDTFGBLIW-UHFFFAOYSA-N 326.320 1.025 50 50 EDGA O=C(O)CCCC(=O)NNC(=O)c1cccc(Br)c1 2942737 KKFXHBBELQBTCP-UHFFFAOYSA-N 329.150 1.465 50 50 EDGA COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1 3116587 NDQXCMXAEMJMQC-UHFFFAOYSA-N 336.369 1.327 50 50 EDGA COc1cncc(C(=O)NCCSSCCC(=O)O)c1C 1875388588 HSVMVNPIRJXQTI-UHFFFAOYSA-N 330.431 1.985 50 50 EDGA C[C@H](Cl)C(=O)NCCNC(=O)c1ccc(Br)cn1 1875376493 YVABSSOCGKVJKM-ZETCQYMHSA-N 334.601 1.317 50 50 EDGA CC1=CC(=O)/C(=C(/C)NNC(=O)[C@H](C)Cc2ccccc2)C(=O)O1 227173134 ZBVXTWSOIMRQOD-IVDGFRAVSA-N 328.368 1.790 50 50 EDGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@]12C(=O)N1CCCc3cccc2c31 1461544 ZLCKLSOUMGGZBK-HXUWFJFHSA-N 347.374 1.948 50 50 EDGA C[C@@H](NS(=O)(=O)C1(CCl)CC1)C(=O)NCc1ccccc1 1775989557 PEOPGMQTIDFDJC-LLVKDONJSA-N 330.837 1.382 50 50 EDGA C[C@H](C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 496302441 HHPSEMJQCKOWQA-WCQYABFASA-N 339.436 1.827 50 50 EDGA C#CCCC1(CCC(=O)NNC(=O)[C@H]2CCN2C2CCCC2)N=N1 2325892240 FVTBESFCQBRPKE-CQSZACIVSA-N 331.420 1.506 50 50 EDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2cccs2)C1 13320821 FHHPDHRJGGNQJR-LUHPIMIVSA-N 329.447 1.260 50 50 EDGA COc1ccc([C@@H](CNC(=O)CCl)N2CCOCC2)cc1OC 1116437674 MTVLOKLSVAYOQT-CYBMUJFWSA-N 342.823 1.432 50 50 EDGA NNc1ccc(S(=O)(=O)C(F)(F)[C@H](F)Cl)cc1[N+](=O)[O-] 4774427 VFELYULRRROVBS-ZETCQYMHSA-N 333.675 1.781 50 50 EDGA O=C(Cc1ccncc1)NNC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 130278262 MHWMXDAIAZUHIE-CGTJXYLNSA-N 336.395 1.683 50 50 EDGA CC(C)(C)c1ccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)cc1 2867938 MKGSDMZXYMTNCF-UHFFFAOYSA-N 347.415 1.133 50 50 EDGA COc1ccc(/C=N/NC(=O)CC[C@@H]2C(=O)NN=C2C)c(OC)c1 100334356 IZUPUFJGTVBOJL-YRUBURHZSA-N 332.360 1.056 50 50 EDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccc(C)o2)C1 13320768 GMMFYHAZCROMEM-KMHUVPDISA-N 327.406 1.100 50 50 EDGA C[C@H](Cl)C(=O)NCc1cccc(OCCN2CCOCC2)c1 1875363465 BSJLYSHVHWENNG-ZDUSSCGKSA-N 326.824 1.641 50 50 EDGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2O)cc1 4302894 CDYHBTWGVUXHOW-RGVLZGJSSA-N 341.367 1.671 50 50 EDGA CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1 4476309 YNOLKHBICVBZRE-OAHLLOKOSA-N 340.335 1.749 50 50 EDGA CC(C)N(C)c1cnn([C@@H]2CCCN(C(=O)[C@@H](C)Cl)C2)c(=O)c1 1875380602 UAQSPQNXQUQMOL-CHWSQXEVSA-N 340.855 1.879 50 50 EDGA COCCCNC(=S)NNC(=O)c1cc2c(s1)CCCC2 2856264 KARYRXMUXLAOHQ-UHFFFAOYSA-N 327.475 1.772 50 50 EDGA O=C(COc1ccccc1)NNC(=O)COc1ccc([N+](=O)[O-])cc1 1886308 KNNGKJKRMCZKHB-UHFFFAOYSA-N 345.311 1.200 50 50 EDGA O=C(Nc1nccs1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 239164829 MZOXLTILEBFDPQ-JTMCIWCCSA-N 343.202 1.653 50 50 EDGA C#CCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCl 1875389253 HVXPOUOAJGQCSV-OAHLLOKOSA-N 331.803 1.574 50 50 EDGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(O)cc1 3032083 WWGIHOANYCSXLH-DJKKODMXSA-N 331.759 1.926 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 197788 YPYAVHXHHXIYDA-MWJIIQFGSA-N 340.335 1.763 50 50 EDGA COc1nn([C@H](C)C(=O)N/N=C/C=C/c2ccco2)cc1[N+](=O)[O-] 2090157 NYCHDRDKVGWXIG-AJAMFQRKSA-N 333.304 1.769 50 50 EDGA COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccccc2F)c1 2899244 XVSNLEJMVIIYRZ-VXLYETTFSA-N 345.330 1.932 50 50 EDGA O=C(CNC(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1 1754333 UTLAWHDHLNZJAE-VCHYOVAHSA-N 326.312 1.475 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1 3096318 BZWSKVJSPPAVMA-YBFXNURJSA-N 339.351 1.870 50 50 EDGA O=C(O)[C@H]1[C@@H](C(=O)O)[C@@H]2C[C@H]1[C@@H](Br)[C@@H]2Br 253389981 HECPLCNVJSYLGU-YXVPSNDASA-N 341.983 1.565 50 50 EDGA C[C@H](Cl)C(=O)N(C)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 1875364459 MYTVMOJSQPHQHW-CMPLNLGQSA-N 326.828 1.997 50 50 EDGA CCCCCCC(=O)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 18122242 JJYSUOLWDMWLIZ-UHFFFAOYSA-N 331.372 1.965 50 50 EDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccccc1Br 100621780 PLJIYGWZWABCTG-XVBMGZJVSA-N 337.177 1.411 50 50 EDGA C[C@@H]1CC[C@H](O)O[C@@H]1COC[C@H]1CCC[C@@H](CCC(=O)OO)O1 605700928 VHOCHYNFQXBVGU-XLWJZTARSA-N 332.393 1.871 50 50 EDGA COc1ccc(OCC(=O)NNC(=S)NC(=O)C(C)(C)C)cc1 2882132 PJYQYRHSOUFKCE-UHFFFAOYSA-N 339.417 1.142 50 50 EDGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 487282 UYDAHNOPYLKGRT-QGMBQPNBSA-N 342.307 1.643 50 50 EDGA Cc1c(Cl)cccc1NC(=O)C(=O)NNC(=O)c1ccncc1 5678396 IQDGHQSGUUJQPW-UHFFFAOYSA-N 332.747 1.443 50 50 EDGA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)c(B(O)O)c1 169744103 GJZFVAROOMKIIB-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA CC1(C)[C@@H](C(=O)NNC(=O)c2cccc(O)c2)CC[C@]1(C)C(=O)O 6681885 SGWCHEDLDTVZLW-SJKOYZFVSA-N 334.372 1.680 50 50 EDGA C[C@]1(C(=O)O)[C@@H](C(=O)NNC(=O)Cc2ccccc2)[C@H]2C=C[C@H]1C2 101274031 PABRTHCETSBUHF-FHKFTOANSA-N 328.368 1.290 50 50 EDGA COc1cc(/C=N/NC(=O)c2cnccn2)cc(OC)c1OC(C)=O 381527 SNYGZNAIIXDTJQ-UFWORHAWSA-N 344.327 1.183 50 50 EDGA C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSS(=O)(=O)O 2449184 LOLSNMGBYMXYPW-VIFPVBQESA-N 328.415 1.751 50 50 EDGA biogenic Cc1nnsc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1 154752 NJBORVHQKGOCBB-UHFFFAOYSA-N 332.794 1.123 50 50 EDGA O=C(NNC(=O)[C@@H]1CC(c2cccnc2)=NO1)Nc1ccccc1F 1398969 IZTRANCAMOZATB-AWEZNQCLSA-N 343.318 1.567 50 50 EDGA COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cnccn2)cc1 100631052 OJLANFXQVHBNGC-RGVLZGJSSA-N 327.344 1.620 50 50 EDGA C[C@@H]1[C@H](Br)[C@H](Br)C[C@@H](C(=O)O)[C@H]1C(=O)O 242750309 ZLBZDHSWWOYOSK-XUVCUMPTSA-N 343.999 1.955 50 50 EDGA CCOC(=O)c1cccc2c1cc(B(O)O)n2C(=O)OC(C)(C)C 169746240 CMIITQPDAMRGSX-UHFFFAOYSA-N 333.149 1.281 50 50 EDGA COc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)c(OC)c1 2912171 HQYHHVQRSDOTKP-UHFFFAOYSA-N 349.368 1.165 50 50 EDGA O=C1c2ccccc2C(=O)N1CC1(CBr)OCCO1 71770422 HAWRFUOUYGFNKE-UHFFFAOYSA-N 326.146 1.421 50 50 EDGA O=C(NCc1ccco1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 239174300 PSQXIPJKVJKDLH-UCFKJQRDSA-N 340.173 1.467 50 50 EDGA COC(=O)CN1C(=O)/C(=N\NC(=O)OC(C)(C)C)c2ccccc21 6563365 PQGRXHFBIZENDG-LGMDPLHJSA-N 333.344 1.435 50 50 EDGA Cc1ccc(S(=O)(=O)N2CC(C=O)(CBr)C2)cc1 263623086 DNBDKUWNMBJXLU-UHFFFAOYSA-N 332.219 1.580 50 50 EDGA Cc1ccc(CNC(=S)NNC(=O)c2ccc(O)cc2O)cc1 612167 LJGXXAVEOSERPM-UHFFFAOYSA-N 331.397 1.715 50 50 EDGA Cc1cc2c(c(=O)[nH]1)[C@H]([C@H]1C(=O)Nc3ccccc31)C(C#N)=C(N)O2 221529866 FEJULTUTFBRIBH-KBPBESRZSA-N 334.335 1.589 50 50 EDGA Cc1nc(C)c(CC(=O)N/N=C/c2ccc(N(C)C)cc2)c(=O)[nH]1 6645833 NUVZMMLZRASLRK-VCHYOVAHSA-N 327.388 1.146 50 50 EDGA Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl)cc1 1532775 RDFCSSHDJSZMTQ-ZDUSSCGKSA-N 332.853 1.579 50 50 EDGA aggregator,biogenic,in-vivo O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(B(O)O)cc1 230541513 WDFVWQJPYTYGOT-UHFFFAOYSA-N 325.051 1.517 50 50 EDGA Cc1cccc2cc(/C=N/NC(=O)CN3CCOCC3)c(Cl)nc12 19770689 ITHWYBJDOAJHNT-VXLYETTFSA-N 346.818 1.979 50 50 EDGA NC(=O)N/N=C/c1c(Sc2ccccc2)nc2ccccn2c1=O 5485880 KPPVYWBSYSJXEA-VCHYOVAHSA-N 339.380 1.848 50 50 EDGA CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccncc3)[C@@H]2C1 13511150 YSDSGEOWRICUBQ-IAGOWNOFSA-N 330.395 1.827 50 50 EDGA OC1C=C[C@H](Br)C2(OCCO2)[C@@H](Br)C=C1 101142332 HHJDVBWZYILBMC-NPPUSCPJSA-N 340.011 1.743 50 50 EDGA COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc([N+](=O)[O-])c1O 36008418 JZJLSHHWMYRTCT-IREQLNLFSA-N 345.311 1.493 50 50 EDGA Cc1nn(C)c(C(=O)NNC(=S)NC2CCCCC2)c1Cl 8855128 QNGGTOHNBLWKKC-UHFFFAOYSA-N 329.857 1.824 50 50 EDGA Cc1ccc(NC(=S)NNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc1 13469010 BVWAJFVQMYYHPL-UHFFFAOYSA-N 348.388 1.426 50 50 EDGA O=C1[C@H]2[C@@H]3C[C@H]4[C@H]2C(=O)[C@H](Br)[C@H]4[C@@H]3[C@H]1Br 238833368 ASRUXQHQIUKJHH-FZYKPIEESA-N 334.007 1.793 50 50 EDGA in-vitro COC(=O)[C@@H](Br)CCN1C(=O)c2ccccc2C1=O 254858 CZODFRDZBXWPBA-JTQLQIEISA-N 326.146 1.609 50 50 EDGA COc1ccccc1NC(=S)NNC(=O)c1nn(C)cc1Cl 13470875 QOKYHCXGRKOKHE-UHFFFAOYSA-N 339.808 1.714 50 50 EDGA CCNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C 2731669 NNHQDXZETGPJKJ-UHFFFAOYSA-N 348.270 1.168 50 50 EDGA C[C@H](Cl)C(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1875367319 WRQOTHXDZJJJDM-QXFUBDJGSA-N 333.759 1.582 50 50 EDGA CC(C)n1ncc2cc(COc3cccc(B(O)O)c3C=O)cnc21 2325826072 NSKYVPQITSVAJU-UHFFFAOYSA-N 339.160 1.084 50 50 EDGA O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1ccccc1F 30791438 ZXRJUPFIRYJTQI-QINWUOBPSA-N 325.343 1.806 50 50 EDGA Cc1cc2c(c(=O)[nH]1)[C@@H]([C@@H]1C(=O)Nc3ccccc31)C(C#N)=C(N)O2 221530020 FEJULTUTFBRIBH-ZIAGYGMSSA-N 334.335 1.589 50 50 EDGA COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(OC)c1OC 32508955 CGZVPAKAARMFOV-AWEZNQCLSA-N 342.355 1.962 50 50 EDGA COc1cc(/C=N/NC(=O)c2ccco2)cc(OC)c1OC(C)=O 381423 SVVIWLIFTBNGFN-RQZCQDPDSA-N 332.312 1.986 50 50 EDGA CCS(=O)(=O)N1CCC[C@@H](C(=O)N/N=C/c2ccsc2)C1 13320827 NOYYLZDMWLOXJB-ZBQKXELDSA-N 329.447 1.260 50 50 EDGA CCCc1cc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cs1 245227976 UORYALHLDZCESL-DUBDDPSESA-N 348.424 1.985 50 50 EDGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 239425694 VAFFZMJSLBXIPT-IWIIMEHWSA-N 328.328 1.803 50 50 EDGA COc1ccc(Cl)cc1C(=O)NNC(=S)NC[C@@H]1CCCO1 7622944 SUWJIZMCSHFBAF-JTQLQIEISA-N 343.836 1.637 50 50 EDGA O=C(CCl)NNC(=O)c1ccc(-n2cnc3c2CCCC3)cc1 96028207 DROTYEUGEOODAX-UHFFFAOYSA-N 332.791 1.751 50 50 EDGA Cc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccccc3)C2=O)c(C)c1 432605 WQJONANLDCKVKX-OAHLLOKOSA-N 337.379 1.870 50 50 EDGA N#CCCn1c(=O)c(C(=O)NCCCCl)c(O)c2ccccc21 299738196 IQWRTLBRJNAVIT-UHFFFAOYSA-N 333.775 1.979 50 50 EDGA O=C(O)COc1ccccc1/C=N/NC(=O)c1[nH]nc2c1CCC2 4517996 UUGKXKRQRZBPSY-CAOOACKPSA-N 328.328 1.126 50 50 EDGA O=C(NNC(=O)[C@H]1CCc2nc(C3CC3)ncc2C1)c1ccccn1 1875280294 QHMWLXCVYQWUSG-LBPRGKRZSA-N 337.383 1.315 50 50 EDGA COc1ccc(OC)c(/C=N/NC(=O)CSc2ncccn2)c1 233680 UMHTYYFOCHLGTB-GIJQJNRQSA-N 332.385 1.736 50 50 EDGA C[C@@H](Oc1ccc(Br)cc1Br)C(=O)NN 2568989 QWESUIKEYKFAEH-RXMQYKEDSA-N 337.999 1.969 50 50 EDGA CCOc1ccc(NC(=O)CCC(=O)NNC(=O)C(C)(C)C)cc1 2882904 ISMSOJMSYVGMBK-UHFFFAOYSA-N 335.404 1.998 50 50 EDGA COc1cc(/C=N/NC(=O)CNC(=O)c2cccs2)ccc1O 2894245 JYMQNQQGRVJNNO-CAOOACKPSA-N 333.369 1.342 50 50 EDGA O=S(=O)(Nc1ccccc1C(F)(F)F)c1cccc(B(O)O)c1 169744422 GYJGSTNPUJQMHS-UHFFFAOYSA-N 345.107 1.186 50 50 EDGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1 100847047 KOTBCVFSKYYBBU-WFSQQTBHSA-N 331.332 1.337 50 50 EDGA COCCCN(C(=O)CCl)[C@H]1CC(=O)N(c2ccccc2)C1=O 217039773 LQANIZPRTKRVTD-ZDUSSCGKSA-N 338.791 1.422 50 50 EDGA O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cc(F)cc(B(O)O)c1 169744134 GEKCSCFQJXQWBZ-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA O=C1C=C/C(=C\NNC(=O)c2cc[n+](Cc3ccccc3)cc2)C(O)=C1 33836970 VHETXFCTBMNACV-GHRIWEEISA-O 348.382 1.722 50 50 EDGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1O 2101141 LADJTOKTNMVGAJ-VCHYOVAHSA-N 327.340 1.798 50 50 EDGA COc1cccc(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2O)c1 2553803 YIUARCFAHDJUNO-VCHYOVAHSA-N 343.339 1.498 50 50 EDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)c1 4210056 QQDBKCNEZIWPGT-RGVLZGJSSA-N 325.368 1.884 50 50 EDGA CO[C@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2965483 KTWPEOHOQQSMNA-AWEZNQCLSA-N 329.312 1.744 50 50 EDGA CN(NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ncc(C(F)(F)F)cc1Cl 3135715 AWBNHLBKJRZDCU-RNFRBKRXSA-N 337.685 1.942 50 50 EDGA CCOc1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 371325 WSWJSEZWRJTGBZ-RGVLZGJSSA-N 341.367 1.713 50 50 EDGA NC(=O)COc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1 443820 MPRLMUKOAKDUID-VXLYETTFSA-N 343.408 1.793 50 50 EDGA CCOC(=O)C1=C(C)N(C)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 528347 HJWGXQNMTCDCHK-GOSISDBHSA-N 339.351 1.320 50 50 EDGA C=CCN1C(=O)/C(=C/C(=O)OC)S/C1=N\NC(=O)c1ccccc1 2280687 NQNZJAWNVOSNGV-XOMYGGGSSA-N 345.380 1.506 50 50 EDGA CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(O)c3)[C@H]2C1 19799203 YQEXPWQWQQCOSX-DLBZAZTESA-N 331.379 1.747 50 50 EDGA COc1ccc(NC(=O)c2ccc(Cl)c(B(O)O)c2)c(OC)c1 169744067 WYURXLOMCUFBJY-UHFFFAOYSA-N 335.552 1.289 50 50 EDGA COC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccc(Cl)cc12 50647 KTIHPZFGAFHEKL-MRXNPFEDSA-N 345.742 1.701 50 50 EDGA Cn1c(SCC(=O)NN)nnc1-c1cccc(Br)c1 139165 VCXKFAZBMMYBMT-UHFFFAOYSA-N 342.222 1.327 50 50 EDGA Cc1ccc(OCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc1 130447 SJKOHUMIYMQRAO-MRXNPFEDSA-N 342.351 1.361 50 50 EDGA Nc1c(Br)c(=O)nc2n1C[C@H](CBr)S2 4721392 KULIVPMMDCFWOX-VKHMYHEASA-N 341.028 1.457 50 50 EDGA CCN1C(=O)CC[C@H](CNC(=O)[C@@H](C)Cl)[C@H]1c1cnn(C)c1 1875376000 LMHGQHBRYNFPBZ-GYSYKLTISA-N 326.828 1.463 50 50 EDGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc2O1 192735 QSOXOFDZBDYZMK-GFHWABCWSA-N 327.296 1.885 50 50 EDGA O=C([C@H](F)Cl)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 2325898668 RWAMZLIVISFAME-MBXMOIHESA-N 342.720 1.779 50 50 EDGA CC(=O)Nc1ccc(C#N)cc1CN1CCN(C(=O)CCl)CC1 1875387033 KNNAVLOTACJOHO-UHFFFAOYSA-N 334.807 1.400 50 50 EDGA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(B(O)O)c(Cl)c1 169744499 CBCDPKYKIVOMDR-UHFFFAOYSA-N 334.524 1.489 50 50 EDGA CC(C)(C)OC(=O)COCCOCCOCCBr 616568659 WDLOTPAWUBQPND-UHFFFAOYSA-N 327.215 1.773 50 50 EDGA Cc1cc2cc(CNC(=O)c3cc(B(O)O)ccc3F)ccc2[nH]1 1467817787 HZJRLABYMUNLIK-UHFFFAOYSA-N 326.136 1.225 50 50 EDGA O=C(CN1CCCc2ccccc21)NNC(=O)[C@@H]1CCCN1C1CC1 170615858 RFJSSWGBIUEHHF-KRWDZBQOSA-N 342.443 1.213 50 50 EDGA CCS(=O)(=O)N1CCC[C@H](C(=O)N/N=C/c2cccc(F)c2)C1 13320783 JSYAZNYPLXLCQV-VZWMTCDZSA-N 341.408 1.338 50 50 EDGA C#CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1 4229763 ISQUSLFZJAAWCB-UDWIEESQSA-N 339.326 1.927 50 50 EDGA CCN(CC)C(=O)C(=O)N/N=C/c1ccc(Br)cc1 2892208 GEMWDSQWOWFCCP-OQLLNIDSSA-N 326.194 1.768 50 50 EDGA C[C@H](Cl)C(=O)N1CCOC[C@@H]1c1ncnn1Cc1ccccc1 1875380309 LJEZZWXOJVWKOK-GXTWGEPZSA-N 334.807 1.854 50 50 EDGA COc1cc(/C=N/NC(=O)c2cc[n+]([O-])cc2)cc(OC)c1OC 446175 GFGVERBUHQCPRQ-LICLKQGHSA-N 331.328 1.110 50 50 EDGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OC)cc1 3009020 NNEDSSGHIKUEBI-WOJGMQOQSA-N 327.340 1.793 50 50 EDGA COc1ccc(OC)c(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)c1 4491646 YMDBXQPWUOKKIE-KPKJPENVSA-N 339.355 1.411 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1 2565296 XYZZBTYRGOGPTH-YBFXNURJSA-N 339.351 1.870 50 50 EDGA COc1nn([C@@H](C)C(=O)N/N=C/c2ccc(O)cc2)cc1[N+](=O)[O-] 370909 KVBDRXGQULEDPN-HXBVQPGFSA-N 333.304 1.217 50 50 EDGA Cc1nnc2n1C[C@@H](C(=O)NCCSSCCC(=O)O)CC2 1875388968 WTJUNIPTQHOMEL-JTQLQIEISA-N 344.462 1.121 50 50 EDGA O=C(N/N=C/c1ccccc1F)C(=O)N/N=C/c1ccccc1F 2755938 CNCHWCVHKCPEGQ-LQGKIZFRSA-N 330.294 1.565 50 50 EDGA COc1cc(/C=N/NC(=O)COc2ccccc2OC)ccc1O 260010 UGVMFFGLJIHMEC-VCHYOVAHSA-N 330.340 1.939 50 50 EDGA biogenic O=C(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)NCc1cccnc1 2925072 WWUCNZGNIORXCS-YBFXNURJSA-N 341.327 1.146 50 50 EDGA O=C(CCC(=O)N/N=C1\C[C@@H]2CC=C[C@H]12)N/N=C1\C[C@@H]2CC=C[C@@H]12 225697036 FPNBGHWYIAPUGB-BMBGPACISA-N 326.400 1.903 50 50 EDGA CC(=O)NNS(=O)(=O)c1sc(Cl)nc1-c1ccccc1 1875348123 XYAQUEMWHRXOBU-UHFFFAOYSA-N 331.806 1.793 50 50 EDGA COc1ccc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)c(OC)c1 4491559 PWWGESXTAHCRKQ-KPKJPENVSA-N 339.355 1.411 50 50 EDGA O=C(CC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O 1880476 LQHTXSUNRGAWEB-XOBNHNQQSA-N 340.339 1.088 50 50 EDGA O=C(O)c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1 291129 AKBHTPYSARLOIW-QANDDYDISA-N 326.308 1.675 50 50 EDGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 2544058 JQWHOUNKRXABCF-VXLYETTFSA-N 340.339 1.783 50 50 EDGA Cc1cc(C)n2nc(C(=O)N/N=C\c3ccc(N(C)C)cc3)nc2n1 32678419 QECLIXVPFNNONN-ZDLGFXPLSA-N 337.387 1.571 50 50 EDGA Cc1ccc(OCC(=O)NNC(=O)c2ccccc2C(=O)O)cc1 357751 QMIVENRLKSJMPV-UHFFFAOYSA-N 328.324 1.533 50 50 EDGA O=C(CSCc1ccccc1)NNC(=S)NC[C@H]1CCCO1 6529653 JBGZNNLKFCCYHE-CYBMUJFWSA-N 339.486 1.594 50 50 EDGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccccc1O 2141502 HPVLFLLHJBNKTI-DJKKODMXSA-N 331.759 1.926 50 50 EDGA CCOc1cc([C@H]2CC(=O)NC(SCC(N)=O)=C2C#N)ccc1O 2158261 JPQSGELWOZFNPL-SNVBAGLBSA-N 347.396 1.348 50 50 EDGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)c1 4292786 DEMPBLXUJJNDOJ-RGVLZGJSSA-N 325.368 1.884 50 50 EDGA O=C(NNC(=O)N1CCN(Cc2cccs2)CC1)c1ccccn1 139147678 GXEPIIJQXJVFGA-UHFFFAOYSA-N 345.428 1.315 50 50 EDGA CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CC)c12 809361 PKCKRJZKQOSRTM-UHFFFAOYSA-N 331.376 1.548 50 50 EDGA O=C(CCl)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 1875370186 FIJYKTPWJRIHGX-NTSWFWBYSA-N 340.651 1.826 50 50 EDGA COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OC 18136421 XSGBYRDMEONAGX-AWEZNQCLSA-N 339.351 1.919 50 50 EDGA CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1oc(CO)cc2=O 4038138 KXJZXGQFAURTQC-HNNXBMFYSA-N 340.335 1.749 50 50 EDGA C[C@@H](Cl)C(=O)N(C)[C@@H]1CCCN(Cc2noc(C3CC3)n2)C1 1875364465 MYTVMOJSQPHQHW-ZYHUDNBSSA-N 326.828 1.997 50 50 EDGA COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc(OC)c1OC 8837243 LPIVMBNTXUHTHX-GIJQJNRQSA-N 344.371 1.688 50 50 EDGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1 2902512 KYONRCXWWWPAOG-VXLYETTFSA-N 343.314 1.701 50 50 EDGA CC1(C)[C@@H](C(=O)NNC(=O)c2cccc(O)c2)CC[C@@]1(C)C(=O)O 6681881 SGWCHEDLDTVZLW-PXAZEXFGSA-N 334.372 1.680 50 50 EDGA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)c(B(O)O)c1 169744487 OBVCWBDQTZFCIG-UHFFFAOYSA-N 338.487 1.319 50 50 EDGA CC(F)(F)C(=O)N1CCC(OCCCNC(=O)CCl)CC1 1875384549 SIBDNILBHFWZPJ-UHFFFAOYSA-N 326.771 1.394 50 50 EDGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1OCC(=O)O 72848 KRCFSFDUPGMBMI-GIJQJNRQSA-N 344.371 1.573 50 50 EDGA O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NC1CCCCC1 13629496 ADNFVSLBRYVOOL-LBPRGKRZSA-N 348.403 1.291 50 50 EDGA O=C(O)[C@@H]1[C@H]2C[C@@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)O 245242172 HECPLCNVJSYLGU-VXGWJHEQSA-N 341.983 1.565 50 50 EDGA COc1ccc(OC)c([C@@H]2CC(=O)NC(SCC(N)=O)=C2C#N)c1 348453 CITHNECSPANIOY-JTQLQIEISA-N 347.396 1.261 50 50 EDGA Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](O)C2)c(C)n1C[C@H]1CCCO1 267896319 WNIUKXLNVKSFQJ-TWJXQGKBSA-N 343.427 1.784 50 50 EDGA C#CCCC1(CCC(=O)NNC(=O)[C@@H]2CCN2C2CCCC2)N=N1 2325892239 FVTBESFCQBRPKE-AWEZNQCLSA-N 331.420 1.506 50 50 EDGA C[C@@H](Cl)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1875364964 ZSGZYLXQDNEIPQ-SSDOTTSWSA-N 336.763 1.292 50 50 EDGA CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1 287874 HJDQWXQELKELME-UHFFFAOYSA-N 325.173 1.254 50 50 EDGA COc1ccccc1NC(=O)C(=O)NNC(=O)c1cccc(Cl)c1 2965684 UKHMWUAEGRQXNQ-UHFFFAOYSA-N 347.758 1.748 50 50 EDGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(=O)O)cc1 2899447 LUANQYQGBZJPIJ-VCHYOVAHSA-N 341.323 1.482 50 50 EDGA O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc(B(O)O)cc1 230541570 FSBDJVUQCHTMAG-UHFFFAOYSA-N 325.051 1.517 50 50 EDGA CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1cccc(Br)c1 100562790 SHFSIKCFZCLTIL-BXRZMRDGSA-N 337.177 1.411 50 50 EDGA O=C(CCl)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccn1 1875383908 GZUOTPXSPVVYDN-HNNXBMFYSA-N 331.803 1.664 50 50 EDGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)c1 2571811 DMEAFQLAJYTGCL-VCHYOVAHSA-N 343.339 1.498 50 50 EDGA O=C(CNC(=O)C1CCCCC1)NNC(=S)Nc1ccccc1 2870643 WCUVNGZBWIJFHN-UHFFFAOYSA-N 334.445 1.701 50 50 EDGA COc1ccc([C@H]2C[C@@H]2C(=O)NNc2c(C#N)c(C)nn2C)cc1 1875349793 MYHPVKMMFFSJMR-KGLIPLIRSA-N 325.372 1.856 50 50 EDGA O=C(NN(c1ccccc1)[C@H]1CCS(=O)(=O)C1)c1cccnc1 5447122 IHJNWHOLHMJURK-HNNXBMFYSA-N 331.397 1.420 50 50 EDGA O=C(CSc1nc2ccccc2[nH]1)NNC(=O)c1ccncc1 192059 HRNDDXORCFIYTQ-UHFFFAOYSA-N 327.369 1.511 50 50 EDGA C[C@H](Cl)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(c2ccccc2)C1 1875368555 AACWYGYZYRZPAC-WHOFXGATSA-N 327.833 1.439 50 50 EDGA C[C@H](Cl)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 1875364675 PZKGXJVFOYKWTO-GWCFXTLKSA-N 344.242 1.638 50 50 EDGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 3131927 QPSPCGDCGNOJLR-RQZCQDPDSA-N 330.275 1.823 50 50 EDGA O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(Br)o1 611698 QHLHPPCWYDWBPF-SSDOTTSWSA-N 348.222 1.330 50 50 EDGA