smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)B(O)O 195365012 DWMSGOJLRANGLD-MOPGFXCFSA-N 382.269 2.091 50 1 GEGF CC(C)(C)OC(=O)NC1(/C=N/NC(=O)CCCCCC(=O)NO)CCCC1 95808317 UQDOQOFNKIJUQN-CPNJWEJPSA-N 384.477 2.382 50 1 GEGF C=C1C(=O)O[C@@H]2C=C(C)[C@@H](O)C[C@@H](OO)C(=C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356747196 WLZFLEFYOXJHBL-OBVSXPTNSA-N 378.421 2.478 50 1 GEGF C=C1C(=O)O[C@@H]2C(O)=C(CO)CCC=C(C=O)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356418579 OJQBJJJMYHMXPS-JZXOWHBKSA-N 376.405 2.076 50 1 GEGF CNS(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)cc1 1857592685 YPXYRTIXYBSJAA-XSFVSMFZSA-N 393.852 2.034 50 1 GEGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 253636946 XQAHUROKJRFJST-DTBOICQTSA-N 384.501 2.428 50 1 GEGF C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](C)c3cc4cnn(C)c4cc3F)n2n1 96169179 QQJIDECYGWUJSX-YABJHRIGSA-N 394.414 2.299 50 1 GEGF COc1cc2c(cc1C(=O)NCC(=O)O)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857771977 XQIBOBMWWPNDEM-HTAPYJJXSA-N 396.443 2.389 50 1 GEGF O=C1CC[C@H](c2ccc(O)c3c2C(=O)[C@H](Cl)[C@H](O)[C@H]3O)c2cccc(O)c21 2356688949 SMPZKKLHFUFDQT-VQRQIYLBSA-N 388.803 2.404 50 1 GEGF COC(=O)[C@@H](C(C)C)N(Cc1cc(OC)cc(OC)c1)S(=O)(=O)CCl 61944791 HPVKSKFOUVVSHR-OAHLLOKOSA-N 393.889 2.230 50 3 GEGF N#C/C(=C(\O)Cn1nc(C(=O)O)c2ccccc2c1=O)c1nc2ccccc2[nH]1 618012303 AHMHSRFMKBYMDC-DTQAZKPQSA-N 387.355 2.464 50 1 GEGF O=C(NNC(=S)NC(=O)c1ccccc1)c1cccc(Br)c1 1857604837 XBGDYFJFYGSHRB-UHFFFAOYSA-N 378.251 2.398 50 1 GEGF C[C@H]1O[C@@]1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@H]2[C@]1(C)O 238767390 CCYVKKQAIHOOCO-SYICJXFJSA-N 382.453 2.410 50 1 GEGF CC1=CC(Br)=C/C(=C\NNC(=O)c2ccc3c(c2)OCO3)C1=O 13130289 RSWBVDLEFPPHKR-YRNVUSSQSA-N 377.194 2.341 50 3 GEGF COc1ccc(/C=N/NC(=O)c2cccnc2)c(B2OC(C)(C)C(C)(C)O2)c1 1857655138 IRPIWXFASRAROY-YDZHTSKRSA-N 381.241 2.153 50 1 GEGF C=C1C(=O)O[C@@H]2CC(C=O)=CC[C@H](OC(C)=O)C(COC(=O)C(C)C)=CC[C@@H]12 2356681863 IUELPJDSUREOCQ-GBESFXJTSA-N 390.432 2.451 50 1 GEGF COc1ccc(B2OC(C)(C)C(C)(C)O2)c(/C=N/NC(=O)c2ccncc2)c1 1857649239 QWFQDWCYDAZDBW-YDZHTSKRSA-N 381.241 2.153 50 1 GEGF O=C(CBr)NC(=O)Nc1cccc(NC(=O)CBr)c1 42802720 PAAZAQNFXQVLCD-UHFFFAOYSA-N 393.035 2.063 50 1 GEGF CC[C@]1(c2ccc(B(O)O)c(C)c2)NCCc2cnc3c(OC)cccc3c21 963059290 QLTQPJOPZIOYOF-JOCHJYFZSA-N 376.265 2.031 50 1 GEGF C=C(C=O)[C@@H]1C[C@@H](OC(C)=O)[C@@H]2[C@]3(C1)C(=O)OC[C@]21CCCC(C)(C)[C@H]1[C@@H]3O 35066772 WAOUILKFOLDIAX-NJOKITKISA-N 390.476 2.430 50 1 GEGF in-vitro CCn1c(SCC(=O)NN/C=C2/C=CC(=O)C(OC)=C2)nc2ccccc21 13126131 YUUWRTWIZPESOC-QBFSEMIESA-N 384.461 2.322 50 3 GEGF COC1=CC(=O)[C@@]2(C1)[C@@H](Cl)C[C@]13C(OC)=C(OC)C(=O)C[C@]21CCN3C 14413755 PXTPGGRVOOOTDS-CJODITQLSA-N 381.856 2.025 50 1 GEGF CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C(=O)O)Cc3cccc(F)c32)o1 962892572 CXGPXKISJDYTCT-KSSFIOAISA-N 380.803 2.136 50 1 GEGF O=C(CCCN1C(=O)c2ccccc2C1=O)N/N=C\c1ccc([N+](=O)[O-])cc1 28654765 XKLIABCGYQAWHL-NDENLUEZSA-N 380.360 2.121 50 1 GEGF CN(C)c1cc[n+](C(C=C(C#N)C#N)=C(O)c2ccc3c(c2)NC(=O)CO3)cc1 1857626534 ROFSUWAHDRPIFQ-UHFFFAOYSA-O 388.407 2.228 50 1 GEGF C=C(NNC(=O)CC#N)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587749357 OIOUYYGZYVFJOC-XXFAHNHDSA-N 381.249 2.386 50 1 GEGF O=C(CBr)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587366743 PXAWKFLBXRCNQA-UHFFFAOYSA-N 375.182 2.436 50 1 GEGF COc1cc2c3c(c1)O[C@](C)(c1ccc(O[C@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O 587433802 WTFZRLAEQZIORJ-BSPLBBPOSA-N 382.416 2.115 50 1 GEGF NNC(=O)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587161745 QPNTXNIGBJZXOA-UHFFFAOYSA-N 385.790 2.266 50 1 GEGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)C(=O)OC2=O 587889401 ZIBINSDGMKUWBS-UHFFFAOYSA-N 389.194 2.409 50 1 GEGF C=C1C(=O)O[C@@H]2/C=C(/COC(C)=O)CC/C=C(/C=O)C[C@@H](OC(=O)C(C)C)[C@@H]12 13338125 DGDXEWDWVPRYPG-VFVGLHNTSA-N 390.432 2.451 50 1 GEGF biogenic N#CC1=C(N)[C@@H]2[C@H](C=C1N)Oc1ccc(Br)cc1[C@@H]2C(C#N)C#N 101006181 VLWXXDRFTJHVAG-HRCADAONSA-N 382.221 2.166 50 1 GEGF CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccccc2Br)CC1(C)C 84710621 ZTOVOUDHXFZJRM-INIZCTEOSA-N 398.257 2.125 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc2cc[nH]c2c1 618008266 WOROMSZAJXCMCE-HNNXBMFYSA-N 381.523 2.382 50 1 GEGF O=C1CC[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@H](O)[C@H](Cl)[C@@H]3O 2356324010 OQMIVAJGCRDGIC-UEDWAMCQSA-N 388.803 2.041 50 1 GEGF CC(=O)OCC1=C2CC=C(C)[C@H](OO)C[C@H](OC(C)=O)C(C)=C[C@@H]2OC1=O 2356528487 ZWRRBFVVFRYDGA-KSZLIROESA-N 380.393 2.248 50 1 GEGF C[C@@H](C(=O)N/N=C1\C(=O)Nc2ccc(C#CCN(C)C)cc21)c1ccc(F)cc1 72178294 AKTRAHHCDLJHQZ-CQSZACIVSA-N 392.434 2.315 50 1 GEGF CN1C(=O)[C@H](/C(N)=N/NC(=O)c2ccccc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 15974149 JILXMXHTFNYEGT-LDBYXDLTSA-N 378.432 2.059 50 1 GEGF C=C1C(=O)O[C@@H]2C[C@](C)(OO)C[C@H](OC(C)=O)C=C(C)[C@@H](OC(C)=O)C[C@H]12 2356387377 QSTVRQLWSFTDDH-OGJJZOIMSA-N 382.409 2.326 50 1 GEGF O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1ccc([N+](=O)[O-])cc1 103232063 SKTGPKPCUUTGSD-GIJQJNRQSA-N 384.377 2.282 50 1 GEGF CCOCCOC(=O)/C(C#N)=C(\NCc1cc(Br)no1)SC 103220922 ABCUWSJMVJZXLZ-ZRDIBKRKSA-N 390.259 2.205 50 1 GEGF CCCc1nn(C)c2c1[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857656754 GONUJFAYYWOXQJ-AWEZNQCLSA-N 385.380 2.213 50 1 GEGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc(B(O)O)cc1)C1CCCC1 963634575 KPFFTTYLZULCRP-IQMFZBJNSA-N 395.308 2.352 50 1 GEGF COc1ccc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)cc1OC 84704153 NTHBYAFFXFBUIA-MRUVXERFSA-N 386.404 2.313 50 1 GEGF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1CCc1ccc(B(O)O)cc1 653697111 PBJMJMCDZUPUTB-UHFFFAOYSA-N 394.023 2.482 50 1 GEGF NNC(=O)c1cc(-c2ccccc2)nn1C[C@@H](O)COc1ccc(Cl)cc1 40935445 RWFZFIJJLJPTGC-OAHLLOKOSA-N 386.839 2.247 50 1 GEGF C=C(CCl)[C@@H]1CCC2=C[C@@]3(C[C@](C)(O)CC(=O)[C@@H](O3)[C@H](C)C(=O)C1)OC2=O 2356797234 NRIOYMSXKGPKOS-SKHHKKAYSA-N 396.867 2.465 50 1 GEGF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc(B(O)O)cc2)nc1 198305238 UUNDOBHSENXEFU-UHFFFAOYSA-N 382.225 2.445 50 1 GEGF CN(C)CCSSCCn1cc(COc2ccc(C(=O)O)cc2)nn1 618010011 NSIIDVZKLYIUOI-UHFFFAOYSA-N 382.511 2.498 50 1 GEGF CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)N[C@H](C)Cc2c(OC)ccc(OC)c21 963608416 LEEXZPDVYFFNTB-XNPNBVRTSA-N 399.871 2.167 50 1 GEGF COc1cccc(C=NNC(=O)CCCC(=O)NN=Cc2cccc(OC)c2)c1 17419861 PYHROCOMCDIQPA-UHFFFAOYSA-N 396.447 2.475 50 3 GEGF N#CC(=Cc1ccccc1)C(=O)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2356735703 DPLQXMYYGOBWBN-AEFFLSMTSA-N 388.427 2.111 50 1 GEGF C=C1C(=O)O[C@@H]2CC(C=O)=CC[C@H](OC(=O)C(C)C)C(COC(C)=O)=CC[C@H]12 2356540183 OWXFOZMXVQMPQK-CEXWTWQISA-N 390.432 2.451 50 1 GEGF Oc1ccc2c3c1O[C@H]1[C@@H](N=C=S)CC[C@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 299810442 XQAHUROKJRFJST-OAJJXQPJSA-N 384.501 2.428 50 1 GEGF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cs1 587013843 BYDSIBHGSOXLDP-UHFFFAOYSA-N 388.453 2.315 50 1 GEGF COc1ccc(N2C[C@@H](C(=O)NN/C=C3\C=Nc4ccccc43)CC2=O)cc1 13130376 XHCUGHGFTGOMEH-YEQVNJDRSA-N 376.416 2.426 50 3 GEGF O=NN(CCCl)C(=O)N[C@H]1CCC[C@@H](NC(=O)N(CCCl)N=O)C1 43641004 BCLXFHKREAITIH-AOOOYVTPSA-N 383.236 2.161 50 1 GEGF CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@@]34C[C@H]5O[C@H]6C[C@@]1([C@@H](O6)O3)[C@@]24[C@H]5Br 103110878 SRTUEDAYELDUGN-OUEPNEMCSA-N 385.254 2.358 50 1 GEGF C=CC[C@]1(O)C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO[Si](C)(C)C(C)(C)C 195774734 UBGWTWUGHWCZRU-DOXZYTNZSA-N 396.560 2.462 50 1 GEGF COc1ccc2c(c1)Cc1c-2n[nH]c1C(=O)N/N=C/c1ccc(O)c(OC)c1 1857550571 VWIKEEFIYFVTHU-UFFVCSGVSA-N 378.388 2.468 50 1 GEGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1OC 1632104 VYZNKZKKZRBCNW-SJORKVTESA-N 385.807 2.241 50 1 GEGF CCOc1ccccc1NC(=O)NNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C 201455443 QNCYMGPACKWUAJ-UHFFFAOYSA-N 390.400 2.050 50 3 GEGF NNC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(Cl)ccc1N 3654251 HRNOXWPFCDFBRS-UHFFFAOYSA-N 399.259 2.493 50 1 GEGF NNC(=O)COc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1 28335907 FYMUPDMJAQBSJH-UHFFFAOYSA-N 392.440 2.483 50 1 GEGF C=C1C(=O)O[C@@H]2CC(CO)=CCCC(COC(=O)[C@](C)(O)CCl)=CC[C@H]12 2356588718 DTWOPKMGYSYHJE-GPMSIDNRSA-N 384.856 2.036 50 1 GEGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@H]1[C@@]2(C)[C@H](O)CC[C@@]1(C)COC(C)=O 2356531670 HYXIZWTUHCHPMV-YCDYKSDNSA-N 392.492 2.064 50 1 GEGF CCOC1=C/C(=C/NNC(=O)C(=O)Nc2cc(Cl)ccc2C)C=CC1=O 13119065 USUSSJLJMQWZNN-ZRDIBKRKSA-N 375.812 2.151 50 3 GEGF O=C(O)COC/C=C1/C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 26165170 ZDMRFSOUOXHXGY-APTREBCCSA-N 387.436 2.229 50 1 GEGF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(B(O)O)cc1 653700464 BAQJLICUXUZTMO-UHFFFAOYSA-N 379.996 2.288 50 1 GEGF O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(O)cc2Br)cc1 95808585 VBCDGRQQWKTLHZ-CAOOACKPSA-N 378.182 2.038 50 1 GEGF O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1ccccn1 473120619 OXAGQPUJSNWWGJ-YDZHTSKRSA-N 375.388 2.258 50 1 GEGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3C=CS(=O)(=O)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102822231 ZPFMUYZJSFRGQQ-XSIWTTSSSA-N 399.509 2.396 50 1 GEGF O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=N/NC(=O)Nc3ccccc3)[C@H]2C1 26161057 ZDMRFSOUOXHXGY-LMRQYGRXSA-N 387.436 2.229 50 1 GEGF COC(=O)c1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 33930835 OKQSEFDVSCOHOK-MFLNWZAWSA-N 383.379 2.116 50 1 GEGF Cc1ccc(NC(=O)CSCCc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 586969900 BBOPINBLGVJRMD-UHFFFAOYSA-N 383.477 2.389 50 1 GEGF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@H](C)CC)C=C(C)[C@]1(O)C[C@@H](Cl)[C@](C)(O)[C@H]21 238777719 NTSCRVXVXUXXKN-RQXQLMFRSA-N 398.883 2.111 50 1 GEGF NNC(=O)/C(=N/Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 15990003 ALDHXMYCWAIJGB-ZHZULCJRSA-N 387.248 2.183 50 3 GEGF COc1ccc(N2C[C@H](C(=O)NN/C=C3\C=Nc4ccccc43)CC2=O)cc1 13130378 XHCUGHGFTGOMEH-FQZGENGWSA-N 376.416 2.426 50 3 GEGF Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@@H]5C=CC(C#N)=C[C@H]5N4)c3N)cc2[nH]1 205250435 IRVNUYFGIYEUAJ-SUMWQHHRSA-N 383.415 2.314 50 1 GEGF COc1cc(C=CC=O)cc(O)c1-c1c(O)cc([C@@H]2OO[C@H]2CO)cc1OC 2356438499 IFBBVNABUSXIKX-PXNSSMCTSA-N 388.372 2.358 50 1 GEGF C=C1[C@@H](OC(C)=O)C[C@@H]2C(=C)C(=O)O[C@H]2C=C(C)[C@@H](OC(C)=O)C[C@H]1OO 2356456615 LJBFGHFUPPDUOI-ICUGJSFKSA-N 380.393 2.102 50 1 GEGF O=C(N/N=C/c1ccc2c(c1)OCO2)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 95572075 NTMGEUMFNWLGGY-QGMBQPNBSA-N 381.304 2.137 50 1 GEGF Cc1ccccc1[C@@]1(CCCl)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963208290 SKBMXBHNTXNWGP-FIKGOQFSSA-N 398.894 2.349 50 1 GEGF COc1cc(/C=N/NC(=O)CCCc2nc(O)c3ccccc3n2)cc(O)c1O 299859873 YXBUAUMSSXBJEO-SRZZPIQSSA-N 396.403 2.228 50 1 GEGF CCCCOc1cc(B(O)O)cc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c1 963612594 SSDRIVYBVOUGJS-JLCFBVMHSA-N 399.296 2.186 50 1 GEGF COc1ccc(C(=O)NN/C=C2\C=NN=C2c2ccc(OC)cc2OC)cc1 13125065 GUGJAHAOMIJQKJ-WYMLVPIESA-N 380.404 2.319 50 3 GEGF C=C1CCC2=C(COC(C)=O)C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)C[C@@H]1OO 2356472379 VPUUNRFILDDXAY-FGTMMUONSA-N 380.393 2.248 50 1 GEGF N#Cc1cc(Br)c2[nH]c(CCNC(=O)CBr)nc2c1 586971221 OQOJCYZOGQODMN-UHFFFAOYSA-N 386.047 2.251 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(OC)cc1C 618007918 NDMBBEMQIZJETA-HNNXBMFYSA-N 386.539 2.218 50 1 GEGF C=C(C)[C@@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@@](=O)N1)c1ccc(C)s1 2356704847 KAWASQKGKXTGFL-YVORESIASA-N 399.501 2.191 50 1 GEGF O=C(NNC(=O)[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccncc1)c1ccccc1 473094117 VUPSFIKNCONSDL-MOPGFXCFSA-N 386.411 2.247 50 1 GEGF C/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 96169109 MKXUOJJCQVPIMD-BHGWPJFGSA-N 377.383 2.400 50 1 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2ccc(C)n2)c1 1857574052 USVALIHIXAHAJF-UHFFFAOYSA-N 388.424 2.252 50 1 GEGF CCCc1nn(C)c2c1[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2 1857656755 GONUJFAYYWOXQJ-CQSZACIVSA-N 385.380 2.213 50 1 GEGF COc1ccc(Br)c(/C=N/NC(=O)CCCCCC(=O)NO)c1 62233508 QCPBJKRCLFMXLT-LICLKQGHSA-N 386.246 2.364 50 1 GEGF C=C(CCl)[C@@H]1CCC2=C[C@@]3(C[C@](C)(O)CC(=O)[C@@H](O3)[C@@H](C)C(=O)C1)OC2=O 2356797233 NRIOYMSXKGPKOS-JKOPRLQNSA-N 396.867 2.465 50 1 GEGF O=C(Nc1ccc(O)cc1)c1ccc(SCc2ccccc2B(O)O)nc1 261158795 QKXXYBSBIRZWPU-UHFFFAOYSA-N 380.234 2.012 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)[C@H](C)c1ccc(O)cc1 618007935 NQFMBQNNHVQFFV-DOMZBBRYSA-N 386.539 2.097 50 1 GEGF O=C(/C=C/c1c(F)cc(F)cc1F)NC(=S)NNC(=O)Cc1ccccc1 217490010 KWJXNGPYYSCVJV-VOTSOKGWSA-N 393.390 2.382 50 1 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2c(F)cccc2F)cc(-n2cccn2)c1 1857577373 NOOKHJZFVWMATH-UHFFFAOYSA-N 392.387 2.082 50 1 GEGF CC/C=C/C1=C(C[C@H](CC)CC2=C(CCC(=O)O)C(=O)OC2=O)C(=O)OC1=O 60314907 LESRNXLJDKOYNX-QRGHLMKCSA-N 390.388 2.384 50 1 GEGF O=C(O)C[C@@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccccc1 29562848 CGJMXATZBNODMJ-QGZVFWFLSA-N 398.463 2.460 50 1 GEGF C=C1C(=O)O[C@@H]2CC(C=O)=CC[C@@H](OC(C)=O)C(COC(=O)C(C)C)=CC[C@H]12 2356681864 IUELPJDSUREOCQ-GUDVDZBRSA-N 390.432 2.451 50 1 GEGF O=P(NCCCl)(NCCCl)OCCS(=O)(=O)c1ccccc1 27300142 ZVDRSXRIOQKZPJ-UHFFFAOYSA-N 389.241 2.242 50 1 GEGF CNC(=O)c1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 34893275 NDSSSMYGJDDEPB-GEVRCRHISA-N 380.235 2.310 50 1 GEGF COc1nc2ccccc2cc1[C@H]1[C@@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772645754 HUZUQMCIJHBAOY-CVEARBPZSA-N 382.807 2.474 50 1 GEGF Cn1cc(C(=O)Cl)c(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 587277092 ZJWVHSCFZWNYJL-UHFFFAOYSA-N 398.600 2.426 50 1 GEGF COc1ccc(/C=N/NC(=O)c2ccncc2)cc1B1OC(C)(C)C(C)(C)O1 1857771606 QFUOATKSGHMQFN-YDZHTSKRSA-N 381.241 2.153 50 1 GEGF Cc1nc2[nH]c(CCNC(=O)CBr)nc2cc1Br 586970423 AJCRPOIQBIOJJV-UHFFFAOYSA-N 376.052 2.082 50 1 GEGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[S@](=O)CCl 28870469 GMRTWPMWDSPWRV-HWRSSNJWSA-N 388.917 2.184 50 1 GEGF CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=C(C#N)C#N)CC3)c(F)c2)C(=O)O1 38558622 VYUIKOIHOSRPTD-KRWDZBQOSA-N 397.410 2.231 50 1 GEGF CS(=O)(=O)N1CCc2cc([C@@]3(CCl)NCCc4ccc(O)cc43)ccc21 963340023 DYSRALGGOKWVIL-LJQANCHMSA-N 392.908 2.342 50 1 GEGF CCCCNS(=O)(=O)c1ccc2nc(C(C)(C)NC(=O)CCl)[nH]c2c1 587009743 QAAQFPSAYGHDQI-UHFFFAOYSA-N 386.905 2.231 50 1 GEGF Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]21 618014021 JIUBTXGWJXUFEX-GMCRJDBKSA-N 395.463 2.031 50 1 GEGF O=C(Cc1ccc(O)cc1)N/N=C1\C(=O)Nc2ccc(OC(F)(F)F)cc21 72179592 CUCADQBJZCXDHN-UHFFFAOYSA-N 379.294 2.306 50 1 GEGF C[C@@]1(c2cccc(N=C=S)c2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963215624 BWPNRZHMJSHYDI-TWOQFEAHSA-N 393.472 2.165 50 1 GEGF CCOC(=O)NN(C(=O)OCC)C(C(=O)c1ccc(Cl)cc1)=C1NCCN1 1614247 MIRABSKTAANZJE-UHFFFAOYSA-N 396.831 2.004 50 1 GEGF C=C1CC[C@H]2[C@](C)(CO)C[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O 135726977 DGKIOEZTKWFUQC-JVQAHFPISA-N 383.916 2.389 50 1 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C=C(C)[C@]1(O)C[C@H](Cl)[C@](C)(O)[C@@H]21 2356471268 MQUHJOHJZWDCIY-RIEVVKQBSA-N 396.867 2.032 50 1 GEGF CCO/C=N/NC(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@@H]21 84726267 CTEWFECZMGFRHP-HSWQHBDASA-N 396.407 2.300 50 1 GEGF C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@@H](OC(=O)C(C)C)[C@@H]12 2356378273 DGDXEWDWVPRYPG-GUDVDZBRSA-N 390.432 2.451 50 1 GEGF COc1ccc(O)c(C(=O)NNC(=O)c2cc3cc(Cl)ccc3oc2=O)c1 1857588235 NDRKWWFVCVSGHP-UHFFFAOYSA-N 388.763 2.235 50 1 GEGF O=C(CCl)N[C@@H](Cc1ccco1)C(=O)Nc1ncc(Br)s1 38268052 NYXSKIPXKAFDCM-QMMMGPOBSA-N 392.662 2.403 50 1 GEGF CNS(=O)(=O)c1cccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)c1 1857541741 ZFFLKHALTJNPFU-XSFVSMFZSA-N 393.852 2.034 50 1 GEGF C=C(C=O)[C@@H]1C[C@H](OC(C)=O)[C@H]2[C@]3(C1)C(=O)OC[C@@]21CCCC(C)(C)[C@@H]1[C@@H]3O 2356744328 WAOUILKFOLDIAX-GBJHUWTCSA-N 390.476 2.430 50 1 GEGF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O[C@@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O 587433805 WTFZRLAEQZIORJ-VQDICGIKSA-N 382.416 2.115 50 1 GEGF COc1cc(OC)cc(C(=O)N/N=C2/SCC(=O)N2Cc2ccco2)c1 1361562 HMTYOPTXEQQTCP-HTXNQAPBSA-N 375.406 2.073 50 3 GEGF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C[C@@H](OO)C(=C)[C@@H](OC(C)=O)C[C@@H]12 238757795 LJBFGHFUPPDUOI-FLIWUOBGSA-N 380.393 2.102 50 1 GEGF COc1ccc(-c2noc(C(=O)N/N=C/c3ccc(NC(C)=O)cc3)n2)cc1 45366919 ZVXFPLHEMBQUKC-RGVLZGJSSA-N 379.376 2.468 50 1 GEGF Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@@H]5C=CC(C#N)=C[C@@H]5N4)c3N)cc2[nH]1 205250401 IRVNUYFGIYEUAJ-GUYCJALGSA-N 383.415 2.314 50 1 GEGF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccccc1B(O)O 653697074 FHMIFHUGXHWSKL-UHFFFAOYSA-N 379.996 2.288 50 1 GEGF NNC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587880266 VEQONAXCPOPBBR-UHFFFAOYSA-N 376.243 2.307 50 1 GEGF CN(C)CCSSCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1 618008306 DUFJHNCGKYSBIK-UHFFFAOYSA-N 391.584 2.121 50 1 GEGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@H](O)[C@]21C 2356531669 HYXIZWTUHCHPMV-XTUDMUHBSA-N 392.492 2.064 50 1 GEGF COc1cc([C@@H]2Oc3cc(C=CC=O)cc(OC)c3O[C@@H]2CO)cc(O)c1O 2356375629 FGFPVGRKMPVITI-MJGOQNOKSA-N 388.372 2.201 50 1 GEGF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 113491870 DBAMZKIFYXDELP-ROUUACIJSA-N 390.443 2.159 50 1 GEGF C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@H](OC(=O)C(C)C)[C@H]12 2356378275 DGDXEWDWVPRYPG-OTWHNJEPSA-N 390.432 2.451 50 1 GEGF C=C1C(=O)O[C@@H]2CC(C=O)=CC[C@H](OC(C)=O)C(COC(=O)C(C)C)=CC[C@H]12 2356681862 IUELPJDSUREOCQ-CEXWTWQISA-N 390.432 2.451 50 1 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC(C)C)C=C(C)[C@]1(O)C[C@H](Cl)[C@](C)(O)[C@H]21 2356439747 BRCXFZCYUXDGDA-ZUVNUGNBSA-N 398.883 2.111 50 1 GEGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(CC(N)=O)c1C)[C@@H](C2)C3=O 587417715 OYJOCIFLTYUUMR-YWZLYKJASA-N 388.851 2.481 50 1 GEGF CC(=O)NC[C@H]1CN(c2ccc(N3CCC(=CC=O)CC3)c(F)c2)C(=O)O1 26291566 ARJYEWSJILXADT-INIZCTEOSA-N 375.400 2.013 50 1 GEGF Cc1nc(-c2ccc(C(=O)NNC(=O)C(=O)c3c[nH]c4ccccc34)cc2)no1 72142380 QNAUNBUSBVIRTD-UHFFFAOYSA-N 389.371 2.170 50 1 GEGF Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)nnn1Nc1ccc(Cl)cc1 40395443 AROSONOXXJKQLT-CAOOACKPSA-N 389.759 2.380 50 1 GEGF CC(C)(C)OC(=O)N(Cc1nc2ccc(C(=O)NN)cc2[nH]1)C[C@H]1CCCO1 587197858 VZGLOXYFFZGVNQ-CYBMUJFWSA-N 389.456 2.083 50 1 GEGF CN(C(=O)c1ccc(SCc2ccccc2B(O)O)nc1)c1ccc(F)cc1 202740213 QCGVQPIPCDSKNY-UHFFFAOYSA-N 396.252 2.469 50 1 GEGF CC[C@@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@@](=O)N1)c1cc(C(C)C)co1 2356705025 RHXDKQWFQCQYRO-SUMNFNSASA-N 399.476 2.372 50 1 GEGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 40506575 XQAHUROKJRFJST-MGRAMIEISA-N 384.501 2.428 50 1 GEGF CCOC(=O)C[C@H](Br)[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962917448 HBFOZOFQXZWJIL-XEZPLFJOSA-N 388.233 2.357 50 1 GEGF COC(=O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)NCCCl)[C@@H]23 1772628123 IQDLFLOZPDZUBU-KONPQCLYSA-N 385.936 2.453 50 1 GEGF COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1ccco1 1660531 XJWPKJQJPBGGIZ-CABCVRRESA-N 377.784 2.082 50 1 GEGF C=C1C(=O)O[C@H]2C=C(C)[C@@H](OC(C)=O)C[C@@H](OO)C(=C)[C@@H](OC(C)=O)C[C@@H]12 2356456617 LJBFGHFUPPDUOI-TXTZMMAHSA-N 380.393 2.102 50 1 GEGF Cc1cccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2ccccc2)c1 195467320 XEVSTKULULWHLK-PMACEKPBSA-N 396.296 2.399 50 1 GEGF CC(=O)OCC1=C2CC=C(C)[C@H](OO)C[C@H](OC(C)=O)C(C)=C[C@H]2OC1=O 2356528494 ZWRRBFVVFRYDGA-RCCFBDPRSA-N 380.393 2.248 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)[C@@H](C)c1ccc(O)cc1 618007936 NQFMBQNNHVQFFV-WFASDCNBSA-N 386.539 2.097 50 1 GEGF COc1ccc(/C(C)=N\NC(=O)CNC(=O)/C=C\c2ccccc2)c(OC)c1 15934017 FSCSXJPUJOPOGC-GXDFGCTRSA-N 381.432 2.374 50 1 GEGF CC[C@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@@](=O)N1)c1cc(C(C)C)co1 2356705024 RHXDKQWFQCQYRO-POXGOYDTSA-N 399.476 2.372 50 1 GEGF COc1ccc([C@@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1OC 5838631 VYZNKZKKZRBCNW-DLBZAZTESA-N 385.807 2.241 50 1 GEGF CN1CCN(C(=O)N2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 43543975 LVXOMWNVOOXVGA-UHFFFAOYSA-N 391.512 2.277 50 1 GEGF CCN(CC)S(=O)(=O)c1ccc2nc(C(C)(C)NC(=O)CCl)[nH]c2c1 587009775 RTWMNTVJADVPQZ-UHFFFAOYSA-N 386.905 2.184 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1c(N)cccc1Cl 618007648 DDMJBFHJHYTFFD-LBPRGKRZSA-N 391.946 2.137 50 1 GEGF O=C(N/N=C1/C/C(=N/NC(=O)c2ccncc2)c2ccccc21)c1ccncc1 13118443 CNHYVFLAIWMBDE-GJEUYDLNSA-N 384.399 2.149 50 1 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2cc(C)ccc2F)cc(-n2cccn2)c1 1857548004 BNLJVKKAMCYUIJ-UHFFFAOYSA-N 388.424 2.252 50 1 GEGF C=C1C(=O)O[C@@H]2CC(C=O)=CC[C@@H](OC(=O)C(C)C)C(COC(C)=O)=CC[C@H]12 2356540185 OWXFOZMXVQMPQK-GUDVDZBRSA-N 390.432 2.451 50 1 GEGF O=C(N/N=C/c1ccc(O)cc1)c1nnc(O)c2nc(-c3ccccc3)ncc12 1911583967 PKZGAJFACAPHGK-LSHDLFTRSA-N 386.371 2.262 50 1 GEGF CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccccc2Br)CC1(C)C 84710619 ZTOVOUDHXFZJRM-MRXNPFEDSA-N 398.257 2.125 50 1 GEGF COC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547342 ZMRKSHHUJJBCCU-XVGQJIODSA-N 390.775 2.462 50 1 GEGF CC1(C)C(=O)[C@H](O)[C@@H]2O[C@]2(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 2356793824 KSYAFSNQMRYMMK-IODRFJDTSA-N 381.694 2.016 50 1 GEGF N#CC1=C(N)N2CCc3cc4c(cc3C2=CC1=C1C=C[C](C(=O)O)C=C1)OCO4 2356844847 FCDVRGPIPMHLQV-UHFFFAOYSA-N 386.387 2.403 50 1 GEGF CN(C)c1cccc2c(S(=O)(=O)O)cc(N=Nc3cccc(B(O)O)c3)cc12 299872399 HIYYQHCRIVXWMO-UHFFFAOYSA-N 399.237 2.248 50 1 GEGF aggregator C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(F)cc1 1857746165 GWKHRTVSZLSEIP-RGVLZGJSSA-N 389.408 2.227 50 1 GEGF Cc1c(-c2nc3cc(C(=O)NN)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029876 UZCHWZUVSXTLAI-UHFFFAOYSA-N 380.433 2.316 50 1 GEGF COC(=O)[C@H](C(C)C)N(Cc1cc(OC)cc(OC)c1)S(=O)(=O)CCl 61944790 HPVKSKFOUVVSHR-HNNXBMFYSA-N 393.889 2.230 50 3 GEGF COC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547341 ZMRKSHHUJJBCCU-SOVGHPHASA-N 390.775 2.462 50 1 GEGF O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc3c(c2)OCO3)[nH]n1 33340594 GJDWSZICTINLQQ-OCKHKDLRSA-N 379.332 2.478 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc2ccccc2n1C 618008232 VRTVHGICHVLKOF-AWEZNQCLSA-N 395.550 2.393 50 1 GEGF CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(OC(=O)C(C)(C)C)cc2)C(=O)OC1=O 169336605 NGAWMEYISKTHJG-FYWRMAATSA-N 389.360 2.304 50 1 GEGF COc1cc(CC(=O)NCCSSCCN(C)C)cc(OC)c1OC 618009044 QIDJKFDEVIGMSP-UHFFFAOYSA-N 388.555 2.314 50 1 GEGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1OC 5838637 VYZNKZKKZRBCNW-IRXDYDNUSA-N 385.807 2.241 50 1 GEGF NNC(=O)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587119573 FAUBNDTXKVQCKM-UHFFFAOYSA-N 378.358 2.309 50 1 GEGF NNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884564 NBZGUIQKNJRGLE-UHFFFAOYSA-N 376.243 2.307 50 1 GEGF O=C(Nc1ccc(F)cc1O)c1ccc(SCc2ccccc2B(O)O)nc1 202739829 AWJICKRJDXZSSC-UHFFFAOYSA-N 398.224 2.151 50 1 GEGF CN(/N=N/c1ccc(Br)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 95555350 RNHZOEHVSLIBFF-VXFCLOCWSA-N 387.190 2.407 50 1 GEGF O=C(O)CC[C@@H](NC(=O)c1ccc(N(CCCl)CCCl)cc1)C(=O)O 27737518 LRCUUYWRKCVRFZ-CYBMUJFWSA-N 391.251 2.018 50 1 GEGF O=C(NO)c1cccc(C(=O)N/N=C/c2ccc(O)cc2Br)c1 95808831 IFANGPFLCDZOBL-CAOOACKPSA-N 378.182 2.038 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1ccc(F)c(F)c1 618007966 OWBVQUCUURGOPJ-AWEZNQCLSA-N 392.493 2.108 50 1 GEGF NNC(=O)c1ccnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587661105 MORWBHWPZXEVBL-UHFFFAOYSA-N 375.363 2.190 50 1 GEGF COc1cccc(C(=O)NNC(=O)c2cc3cc(Cl)ccc3oc2=O)c1O 1857583784 IBKVQEMPVNQAOP-UHFFFAOYSA-N 388.763 2.235 50 1 GEGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[S@@](=O)CCl 28870466 GMRTWPMWDSPWRV-SXBQZSJRSA-N 388.917 2.184 50 1 GEGF C[C@H]1CCC[C@H](C)N1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1 13825570 BGUNJPMNAQNPJN-IRXDYDNUSA-N 382.512 2.296 50 1 GEGF COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1ccco1 1660534 XJWPKJQJPBGGIZ-LSDHHAIUSA-N 377.784 2.082 50 1 GEGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccccc1Cl 102845113 LYZDXFXSLXSJPZ-VXLYETTFSA-N 391.836 2.399 50 1 GEGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc[n+]([O-])cc1 95808866 IGWJXYXSDADVQJ-RCCKNPSSSA-N 384.436 2.455 50 1 GEGF C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H](OO)C(=C)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356747193 WLZFLEFYOXJHBL-HSFUPAIVSA-N 378.421 2.478 50 1 GEGF COc1cccc(C=NNC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)c1 957608737 VWBJYEWZOBUMIL-UHFFFAOYSA-N 384.827 2.335 50 1 GEGF N#CC1=CC=CC(=NC2=C(Nc3cccc(Cl)c3Cl)N[S@](=O)N2)C1=O 2356704929 NMQHKGKIKFRSCI-VWLOTQADSA-N 394.243 2.333 50 1 GEGF C/C=C/C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 621431795 MMQMDDMGGHEPOC-UHIOCVRCSA-N 381.432 2.248 50 1 GEGF NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCCCCl)nn2)c(F)c1F 299831859 OKGJHKFCKBDZDS-UHFFFAOYSA-N 386.758 2.033 50 1 GEGF O=C1C(Br)=CC(=CNNC(=O)c2cccnc2)C=C1Br 13124342 BBGXZUHCMKPFNF-UHFFFAOYSA-N 399.042 2.340 50 3 GEGF O=C(O)CN1C(=O)c2cccc3cc(C(=O)CBr)cc(c23)C1=O 13452633 UAHSXUKOQGHLFG-UHFFFAOYSA-N 376.162 2.098 50 1 GEGF O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1ccccc1[N+](=O)[O-] 103232031 QJYNDAQOBXMRJT-GIJQJNRQSA-N 384.377 2.282 50 1 GEGF CCN(CC)CCN1C(=O)/C(=N\NC(=O)CCN2CCCCC2)c2ccccc21 1772653712 QMSBZQKXYAOLOT-FLFQWRMESA-N 399.539 2.071 50 1 GEGF N#CC1=C(N)[C@@H]2[C@@H](C=C1N)Oc1ccc(Br)cc1[C@@H]2C(C#N)C#N 169345493 VLWXXDRFTJHVAG-OWCLPIDISA-N 382.221 2.166 50 1 GEGF CC1(C)O[C@H]2[C@H]3O[P@](=O)(N(CCCl)CCCl)OC[C@@H]3O[C@@H]2O1 105507217 YSYRTTLOJUVIIT-WFTIJLDSSA-N 376.173 2.166 50 1 GEGF COc1cc(/C=C/C=O)cc(O)c1-c1c(O)cc([C@@H]2OO[C@@H]2CO)cc1OC 86027516 IFBBVNABUSXIKX-MMHSPLKYSA-N 388.372 2.358 50 1 GEGF O=C(COc1ccc2ccc(=O)oc2c1)NN=C1C(=O)Nc2ccc(Cl)cc21 1857588889 BPYADNPZFVKFRK-UHFFFAOYSA-N 397.774 2.298 50 1 GEGF Cc1ccccc1[C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c1ccccc1 195468993 ZDGLBUROJUMHDY-PMACEKPBSA-N 396.296 2.399 50 1 GEGF Cc1cnn(-c2cc(F)cc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)c1 1857542559 KOLBMXZYRGTUOX-UHFFFAOYSA-N 392.387 2.082 50 1 GEGF Cc1ccccc1[C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c1ccccc1 195468988 ZDGLBUROJUMHDY-UXHICEINSA-N 396.296 2.399 50 1 GEGF COc1nc2ccccc2cc1[C@@H]1[C@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772645757 HUZUQMCIJHBAOY-JKSUJKDBSA-N 382.807 2.474 50 1 GEGF NNC(=O)CSc1nnc(Cn2c(-c3ccco3)nc3ccccc32)s1 1857630218 USGPWOHGULANRJ-UHFFFAOYSA-N 386.462 2.278 50 1 GEGF Cc1nc(-c2ccc(NC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1 66113393 ARWSHTCIMVGBCQ-INIZCTEOSA-N 399.455 2.368 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cnc2ccccc2c1 618008286 XGCOOOHSEISCDB-INIZCTEOSA-N 393.534 2.449 50 1 GEGF COc1cc([N+](=O)[O-])c[c-](/C=N/NC(=O)c2cc(C)nc3ccccc23)c1=O 169693966 CKIMYCBDMJCSKP-KEBDBYFISA-N 379.352 2.303 50 1 GEGF C=C1C(=O)O[C@@H]2C(O)=C(CO)CCC=C(C=O)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356418580 OJQBJJJMYHMXPS-NUJGCVRESA-N 376.405 2.076 50 1 GEGF C=C(NNC(=O)CC#N)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587750062 RGNYMYBEDZVUFH-XXFAHNHDSA-N 381.249 2.386 50 1 GEGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccc(Cl)cc1 102837728 NHLNXFYJDTYWFF-VXLYETTFSA-N 391.836 2.399 50 1 GEGF CC(C)(C)OC(=O)NC1(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)CCCC1 95808976 XBAIHHSVFWHLEO-UDWIEESQSA-N 390.440 2.359 50 1 GEGF CCOC(=O)N1CC[C@]2(NCCc3c(C(=O)O)cccc32)[C@H](Br)C1 963121898 MDAIRSACYKUVCN-RHSMWYFYSA-N 397.269 2.352 50 1 GEGF CCc1cc(Nc2cc(=O)n(CCCCNC(=O)CCl)c(=O)[nH]2)ccc1C 13674991 BJCBJTXGZVZJHJ-UHFFFAOYSA-N 392.887 2.286 50 1 GEGF CC[C@@]1(c2ccc(B(O)O)c(C)c2)NCCc2cnc3c(OC)cccc3c21 963059291 QLTQPJOPZIOYOF-QFIPXVFZSA-N 376.265 2.031 50 1 GEGF CC1=C2C=C[C@](C)(O)CC=C[C@](C)(OO)CCC[C@@H](C)C(=O)[C@]2(O)OC1=O 2356658390 QTKBFSVJJYCYJS-WNISUXOKSA-N 380.437 2.439 50 1 GEGF CC(C)(C)OC(=O)NC1(/C=N/NC(=O)c2cccc(C(=O)NO)c2)CCCC1 95808987 YRPMOCUGARUAPZ-UDWIEESQSA-N 390.440 2.359 50 1 GEGF O=C(N/N=C/c1c(O)n(-c2ccccc2)c(=S)[nH]c1=O)c1ccc(O)cc1 169688889 YYUHBCHGAFOAIC-VXLYETTFSA-N 382.401 2.070 50 1 GEGF NC(=O)c1cc(CO[P@](N)(=O)N(CCCl)CCCl)ccc1[N+](=O)[O-] 95574890 DLRKKGIDWASMRP-DEOSSOPVSA-N 399.171 2.057 50 1 GEGF Cc1cc(-n2cc(F)cn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F 1857574219 AAJDCAXJINQPQE-UHFFFAOYSA-N 392.387 2.082 50 1 GEGF COc1cc([C@@H]2Oc3cc(C=CC=O)cc(OC)c3O[C@H]2CO)cc(O)c1O 2356375627 FGFPVGRKMPVITI-HKUYNNGSSA-N 388.372 2.201 50 1 GEGF COC1=CC(=O)[C@]2(C1)[C@@H](Cl)C[C@]13C(OC)=C(OC)C(=O)C[C@]21CCN3C 14413759 PXTPGGRVOOOTDS-PZGXJPJSSA-N 381.856 2.025 50 1 GEGF biogenic,in-vitro Cc1cc(-n2nccc2C)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F 1857577860 MFSVCYZNHWGFDM-UHFFFAOYSA-N 388.424 2.252 50 1 GEGF CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)CC1(C)C 84708614 PNHWNYWBXUZPLV-INIZCTEOSA-N 387.358 2.381 50 1 GEGF Oc1ccc2c3c1O[C@H]1[C@@H](N=C=S)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 40810645 XQAHUROKJRFJST-LJGISCNOSA-N 384.501 2.428 50 1 GEGF NC(=O)c1cc(N(CCCl)CCBr)c([N+](=O)[O-])cc1[N+](=O)[O-] 43552760 YIBANNNXXGVGBK-UHFFFAOYSA-N 395.597 2.042 50 1 GEGF NNC(=O)c1cc(F)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587894092 SJDNLQFBXXHTMB-UHFFFAOYSA-N 394.233 2.446 50 1 GEGF C=CC[C@@]1(O)C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195513775 UBGWTWUGHWCZRU-SPYBWZPUSA-N 396.560 2.462 50 1 GEGF Cc1ccnc2c1CCN[C@]21C(C=O)=C(N)Oc2ccc(Br)cc21 963084562 FAOUIEXMFMETLE-GOSISDBHSA-N 386.249 2.303 50 1 GEGF C/C(=C(\CCO)SSCCC(=O)O)N(C=O)Cc1ccc(C)nc1N 28976222 FRIIYLZPKQIWHY-OWBHPGMISA-N 385.511 2.401 50 1 GEGF CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 13822341 IZNDRNBAQQZJSB-BRVCPTFNSA-N 380.400 2.295 50 1 GEGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCC[C@H](O)C2)cc1 1857646511 SQLVYKIAHHIDJF-CIPMJJFUSA-N 382.420 2.315 50 1 GEGF O=C(N/N=C\c1ccc(F)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1 33414047 URJWRQFDPHMYMA-MOSHPQCFSA-N 375.425 2.374 50 1 GEGF N#C/C(=C\c1ccc(O)c(O)c1)S(=O)(=O)/C(C#N)=C/c1ccc(O)c(O)c1 13760527 JMRYQFOYVAUPPK-ACFHMISVSA-N 384.369 2.353 50 1 GEGF C=C(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 238780076 JIMSBDGKOARPQW-NBFXGUODSA-N 388.416 2.369 50 1 GEGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](Cl)C(=O)C(=O)[C@@H]2Cl 587497679 FOTTVEPKBHUTCM-PZPSRYQVSA-N 381.211 2.205 50 1 GEGF Cc1c(C(=O)NN/C=C2/C=CC(=O)C(Br)=C2)sc(N)c1C#N 13126079 QIUVOCFVMCFRCX-VURMDHGXSA-N 379.239 2.046 50 3 GEGF O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCSCCCl)c(S(=O)(=O)O)c1 169347990 SAQXFEUBKQUVAM-UHFFFAOYSA-N 385.807 2.134 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(OC)c(F)c1 618007801 ITSAZMGGPXUNSK-ZDUSSCGKSA-N 390.502 2.049 50 1 GEGF Cc1cc2c(cc1O)[C@](CBr)(c1ccncc1F)N[C@H](C(=O)O)C2 963521844 CTJGVXJWCMDRMY-YOEHRIQHSA-N 395.228 2.472 50 1 GEGF N#CC1=C(N)[C@@H]2[C@H](C(C#N)C#N)c3cc(Br)ccc3O[C@H]2C=C1N 101006179 VLWXXDRFTJHVAG-XHSDSOJGSA-N 382.221 2.166 50 1 GEGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CC(F)(F)C1 618017787 POJKMADJUOJYGL-OLZOCXBDSA-N 395.541 2.034 50 1 GEGF CCCOc1c(B(O)O)cc(C)cc1[C@@H]1NCCc2c(OC)ccc(Cl)c21 963257442 KHCZNXUWLVRVEW-IBGZPJMESA-N 389.688 2.361 50 1 GEGF O=[P@@]1(NCCBr)OCC[C@@H](OO)N1CCBr 169319591 SGUQUUFCWPFQBF-QZTNRIJFSA-N 381.989 2.012 50 1 GEGF COc1cccc(C(=O)NN/C=C2\C=NN=C2c2ccc(OC)cc2OC)c1 13123122 WYZKMUDHPNIRCF-WYMLVPIESA-N 380.404 2.319 50 3 GEGF Cc1nnc(SCC(=O)NNC=C2C=C(Cl)C(=O)C(Cl)=C2)s1 13121700 BBPYERRISOEPOU-UHFFFAOYSA-N 377.278 2.271 50 3 GEGF CC(=O)OCC1=C2CC=C(C)[C@H](OO)C[C@@H](OC(C)=O)C(C)=C[C@H]2OC1=O 2356528490 ZWRRBFVVFRYDGA-KZNAEPCWSA-N 380.393 2.248 50 1 GEGF CCN(CC)CCNc1ncnc2c1ncn2[C@H]1C[C@@H]2[C@@H](Cl)C[C@H]1[C@H]2CO 473119777 MKKOAGQOYYBAEY-QXKUPLGCSA-N 392.935 2.377 50 1 GEGF CCOC1=CC=C/C(=C\NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)C1=O 33849184 UEBUEUWZZLOGGW-ZHACJKMWSA-N 395.337 2.208 50 3 GEGF CC1(C)O[C@@H]2O[C@@H]3CO[P@](=O)(N(CCCl)CCCl)O[C@@H]3[C@@H]2O1 299814109 YSYRTTLOJUVIIT-FNYYFMSZSA-N 376.173 2.166 50 1 GEGF C/C(=N/NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccn1 13154710 XPODSOLYNXBUSA-NOEYKIMYSA-N 386.477 2.023 50 1 GEGF CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(O)c(NC(=O)C(C)C)c2)C(=O)OC1=O 169320165 HDLLJKZYNUFKAS-ZROIWOOFSA-N 388.376 2.157 50 1 GEGF C[C@]1(c2ccc(B(O)O)c([N+](=O)[O-])c2)NCCc2cc(-c3ccccc3)ccc21 962669738 SFGUSWQGBUNEDD-JOCHJYFZSA-N 388.232 2.351 50 1 GEGF Nn1c(CCCl)nc2c(Br)cc(Br)cc2c1=O 1626374 CGGYRJKBRGHUEX-UHFFFAOYSA-N 381.455 2.417 50 1 GEGF C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@H](OC(=O)C(C)C)[C@@H]12 2356378274 DGDXEWDWVPRYPG-IPMKNSEASA-N 390.432 2.451 50 1 GEGF O=C(NNC(=S)NC(=O)c1ccccc1)c1ccc(Br)cc1 1857568473 DWZBHRAHLPURGH-UHFFFAOYSA-N 378.251 2.398 50 1 GEGF CC1(C)Oc2ccc(OC(F)(F)F)cc2[C@@H](NS(=O)(=O)CCl)[C@@H]1O 27867583 IDFOVSPVSVHIMR-MNOVXSKESA-N 389.779 2.274 50 1 GEGF NNC(=O)c1ccc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2c1 587061590 VWBHTYISYCRUQM-UHFFFAOYSA-N 379.811 2.526 50 1 GEGF O=C(NO)c1ccc(C(=O)N/N=C/c2cc(O)ccc2Br)cc1 95808584 MFHRVILGIAYZEM-CAOOACKPSA-N 378.182 2.038 50 1 GEGF COc1cc([C@H]2Oc3cc(C=CC=O)cc(OC)c3O[C@H]2CO)cc(O)c1O 2356375630 FGFPVGRKMPVITI-PKOBYXMFSA-N 388.372 2.201 50 1 GEGF CCOC(=O)N1CC[C@]2(NCCc3c(C(=O)O)cccc32)[C@@H](Br)C1 963121902 MDAIRSACYKUVCN-WMLDXEAASA-N 397.269 2.352 50 1 GEGF O=C(Cn1sc2ccccc2c1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 230525354 FPFRNGPZYACDCV-UHFFFAOYSA-N 385.489 2.427 50 1 GEGF CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1ccco1 1660593 YPKRLWWSVLCTLX-HZPDHXFCSA-N 391.811 2.472 50 1 GEGF NC(=O)c1cc(CO[P@@](N)(=O)N(CCCl)CCCl)ccc1[N+](=O)[O-] 95574891 DLRKKGIDWASMRP-XMMPIXPASA-N 399.171 2.057 50 1 GEGF NNC(=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587118902 SEJSQIYJIPPDKX-UHFFFAOYSA-N 391.313 2.085 50 1 GEGF CO[C@@]1([C@H]2[C@@H](O)C=C(CCC(C=O)=C(C)C)C(=O)OC2(C)C)C=C(C)C(=O)O1 14921366 DRGJVXACADCLMU-FIKGOQFSSA-N 392.448 2.387 50 1 GEGF Cc1cc(NNC(=O)c2cnccn2)n2nc(SCc3ccccc3)nc2n1 1772626855 QGGQCMINXOONGL-UHFFFAOYSA-N 392.448 2.272 50 1 GEGF C[C@@]12C(=O)N(c3ccccc3C(=O)NN)C(=O)N1CCc1c2[nH]c2ccccc12 2102572 WHGSSSYYHWLFJA-OAQYLSRUSA-N 389.415 2.012 50 1 GEGF biogenic COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)cc(OC)c1 84704164 KNOJXYRWHPRCIU-CIPMJJFUSA-N 386.404 2.313 50 1 GEGF C=CS(=O)(=O)NC[C@H](CCl)C(=O)Nc1ccc(OC(F)(F)F)cc1 618017786 POBFFGCFTWGAJG-VIFPVBQESA-N 386.779 2.442 50 1 GEGF N#CC1=C(N)[C@H]2[C@@H](C=C1N)Oc1ccc(Br)cc1[C@@H]2C(C#N)C#N 169345495 VLWXXDRFTJHVAG-PMPSAXMXSA-N 382.221 2.166 50 1 GEGF O=C(N1CCOCC1)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 43617584 MIKNLVAKKRQYHO-UHFFFAOYSA-N 394.468 2.293 50 1 GEGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C(=O)OCCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 42765408 STDCFPSMNWMLAD-KDHUQJBWSA-N 384.425 2.255 50 1 GEGF CN(C)CCSSCCn1cc(CNC(=O)c2cc(C3CC3)on2)nn1 618010371 VVMCMIQJHSOEOS-UHFFFAOYSA-N 396.542 2.017 50 1 GEGF C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CC[N@+]4(CCl)CC=C(COC(=O)[C@@]1(C)O2)[C@@H]34 2356392927 UIBOCRJJYNMZLO-YOYZPLDLSA-N 384.880 2.144 50 1 GEGF NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccco1 473135378 OMVFMNKSGDKVJB-HKUYNNGSSA-N 376.416 2.447 50 1 GEGF COc1ccc(Cl)cc1C#Cc1cn(Cc2ccc(C(=O)NN)cc2)nc1N 587909321 OVZWSLZJUBZOLF-UHFFFAOYSA-N 395.850 2.179 50 1 GEGF Cc1ncc(CN(C=O)/C=C(\CCO)SSC[C@H]2CCCO2)c(N)n1 33753591 VJDUPRQDUKOXDR-UWZYDCLUSA-N 384.527 2.110 50 3 GEGF in-vitro CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 586973549 PFLVFZVFUUKTBI-KRWDZBQOSA-N 383.477 2.277 50 1 GEGF O=C(CI)Nc1cccc(NC(=O)NCCCl)c1 44307833 CKQCVKIZLNCKLT-UHFFFAOYSA-N 381.601 2.420 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(F)ccc1OC 618007774 HZHSVZGZQOWGFP-ZDUSSCGKSA-N 390.502 2.049 50 1 GEGF C=C1C(=O)O[C@@H]2CC(CO)=CCCC(COC(=O)[C@@](C)(O)CCl)=CC[C@@H]12 2356588716 DTWOPKMGYSYHJE-FCEWJHQRSA-N 384.856 2.036 50 1 GEGF Cc1nc(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)cc2c1[nH]c1ccccc12 73142287 CVKIZQLLOAKGPI-UHFFFAOYSA-N 397.435 2.310 50 1 GEGF CCOC(=O)C[C@H](Br)[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962917444 HBFOZOFQXZWJIL-HEHGZKQESA-N 388.233 2.357 50 1 GEGF CC(C)c1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1 1857748469 HMNWAFSAAFVRDG-RGVLZGJSSA-N 385.445 2.479 50 1 GEGF O=NN(CCCl)C(=O)N[C@H]1CC[C@H](NC(=O)N(CCCl)N=O)CC1 101106011 NLVXTJQYQLAKKJ-AOOOYVTPSA-N 383.236 2.161 50 1 GEGF CCCCC(=O)Oc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 169336598 XSRQKAKIEZVQRX-BMRADRMJSA-N 389.360 2.448 50 1 GEGF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cc2N1 587122158 AEXRBUGKIFBYSL-KRTXAFLBSA-N 379.346 2.337 50 1 GEGF CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1ccco1 1660591 YPKRLWWSVLCTLX-CVEARBPZSA-N 391.811 2.472 50 1 GEGF CCn1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)c2ccc(C)nc21 103201001 ZSKHASQWZXKPRG-KEBDBYFISA-N 379.376 2.397 50 1 GEGF NNC(=O)c1ccc(F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587894361 ZYTLCPOSHNGOGG-UHFFFAOYSA-N 394.233 2.446 50 1 GEGF O=C(NO)c1cccc(C(=O)N/N=C/c2cc(Br)ccc2O)c1 95808826 PKWLKFJMVMYWQM-CAOOACKPSA-N 378.182 2.038 50 1 GEGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc3c(c2)NC(=O)CO3)cc1 209109520 ROFSUWAHDRPIFQ-UZYVYHOESA-O 388.407 2.228 50 1 GEGF CN(C)/[N+]([O-])=N/Oc1cc(OC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 43617441 QYENOYAXWRAEPZ-SILNSSARSA-N 391.296 2.455 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)C1(c2ccccc2)CC1 618008095 RLZJKKLPWOYKKZ-HNNXBMFYSA-N 382.551 2.319 50 1 GEGF NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccco1 473135383 OMVFMNKSGDKVJB-MJGOQNOKSA-N 376.416 2.447 50 1 GEGF C=C1C(=O)O[C@@H]2CC(C=O)=CC[C@H](OC(=O)C(C)C)C(COC(C)=O)=CC[C@@H]12 2356540184 OWXFOZMXVQMPQK-GBESFXJTSA-N 390.432 2.451 50 1 GEGF O=C(CSc1nnc(NC(=O)CCl)s1)Nc1ccc(Cl)cn1 96908513 KRBZPWBSSBXCKM-UHFFFAOYSA-N 378.266 2.495 50 1 GEGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)B(O)O 195365020 DWMSGOJLRANGLD-OALUTQOASA-N 382.269 2.091 50 1 GEGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(/C=C/C(=O)N(C)C)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103197521 ZQCAFHVRUSJZHC-VLMAUACYSA-N 378.469 2.282 50 1 GEGF Cc1ccc(S(=O)(=O)NCCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 97600858 RDBKXAYOPXXCDJ-FYJGNVAPSA-N 384.461 2.295 50 1 GEGF Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@H]5C=CC(C#N)=C[C@H]5N4)c3N)cc2[nH]1 205250446 IRVNUYFGIYEUAJ-CXAGYDPISA-N 383.415 2.314 50 1 GEGF NNC(=O)c1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587110712 AJBYYPFEOOCPBS-UHFFFAOYSA-N 377.326 2.115 50 1 GEGF O=C(CCl)Nc1cccc([C@H](NC(=O)OCc2ccccc2)C(=O)NO)c1 1857651224 YINYXIIOXOZMLI-INIZCTEOSA-N 391.811 2.337 50 1 GEGF O=C(NNC(=S)Nc1ccc(I)cc1)c1ccncc1 103239985 FLBNDYAGBWVXFJ-UHFFFAOYSA-N 398.229 2.318 50 1 GEGF NC(=O)c1cc([N+](=O)[O-])ccc1CO[P@](N)(=O)N(CCCl)CCCl 103070568 GEYDMWREXLPRCK-DEOSSOPVSA-N 399.171 2.057 50 1 GEGF COc1cc(C=CC=O)cc(O)c1-c1c(O)cc([C@H]2OO[C@@H]2CO)cc1OC 2356438501 IFBBVNABUSXIKX-YLJYHZDGSA-N 388.372 2.358 50 1 GEGF OB(O)c1cscc1[C@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957240 MTEBNPHHCCAYSW-MRXNPFEDSA-N 397.227 2.188 50 1 GEGF C=C1C[C@@H](O)[C@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O 38934439 ILPIGMAGHRKRKI-WMRABNJFSA-N 383.916 2.387 50 1 GEGF CC1=NNC(=O)[C@H]1CCC(=O)N/N=C\C(Br)=C\c1ccccc1 100151807 MHUOAYOZMGSCLN-HPKMXKOSSA-N 377.242 2.427 50 1 GEGF CC(=O)Oc1ccc2c(c1)OC=C(C=O)[C@]21NCCc2c(C(=O)O)cccc21 963130502 JDUFQVXYOQALJK-OAQYLSRUSA-N 379.368 2.175 50 1 GEGF NC(=O)c1cc2cc(Cl)ccc2o/c1=N/NC(=O)c1ccc([N+](=O)[O-])cc1 33554745 QCEJRFBDRUSGMF-HEHNFIMWSA-N 386.751 2.339 50 1 GEGF COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccco1 1660532 XJWPKJQJPBGGIZ-GJZGRUSLSA-N 377.784 2.082 50 1 GEGF C=CC[C@@]1(O)C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195513773 UBGWTWUGHWCZRU-ZRGWGRIASA-N 396.560 2.462 50 1 GEGF O=C1CC[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@H](O)[C@@H](Cl)[C@@H]3O 2356324005 OQMIVAJGCRDGIC-RMMWZPCPSA-N 388.803 2.041 50 1 GEGF C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@](C)(O)CCl)=C\C[C@H]12 238787414 DTWOPKMGYSYHJE-PXZOLVMPSA-N 384.856 2.036 50 1 GEGF CC(=O)OCC1=C2CC=C(C)[C@H](OO)C[C@@H](OC(C)=O)C(C)=C[C@@H]2OC1=O 2356528489 ZWRRBFVVFRYDGA-KURKYZTESA-N 380.393 2.248 50 1 GEGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN3CCNCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84688801 VYFDSXQPEHBFQA-RCQQOWRMSA-N 396.528 2.116 50 1 GEGF Cc1cnn(-c2cc(C)c(F)c(C(=O)NNS(=O)(=O)c3ccccc3)c2)c1 1857601819 DRRNVFPBAQHUMH-UHFFFAOYSA-N 388.424 2.252 50 1 GEGF C=C1C(=O)O[C@@H]2/C(O)=C(\CO)CC/C=C(/C=O)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 238761935 OJQBJJJMYHMXPS-KOZAMIKMSA-N 376.405 2.076 50 1 GEGF CCOC(=O)N1CC[C@@]2(NCCc3c(C(=O)O)cccc32)[C@@H](Br)C1 963121906 MDAIRSACYKUVCN-YOEHRIQHSA-N 397.269 2.352 50 1 GEGF CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963608414 LEEXZPDVYFFNTB-WQFAYQGZSA-N 399.871 2.167 50 1 GEGF COC(=O)C1=C(Cn2cnnn2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl 58568953 QWWNXNFWXOZGLJ-OAHLLOKOSA-N 388.790 2.077 50 1 GEGF O=C(CBr)NCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586971019 KKVRTKIUIXFNHV-UHFFFAOYSA-N 386.559 2.030 50 1 GEGF CCn1cc(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(=O)c2ccc(C)nc21 103203753 UNNWTIUJWANGFL-UFFVCSGVSA-N 380.404 2.203 50 1 GEGF CCCC(=O)Oc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 169336596 GWSAYSDCKZUNKG-JQIJEIRASA-N 375.333 2.058 50 1 GEGF O=C(CCl)NC[C@H]1CN(c2ccc3c(c2)-n2cccc2COC3)C(=O)O1 32063299 MHHOUFZYQHOCDM-HNNXBMFYSA-N 375.812 2.188 50 1 GEGF in-vivo O=C(O)CC[C@H](NC(=O)c1ccc(N(CCCl)CCCl)cc1)C(=O)O 2022688 LRCUUYWRKCVRFZ-ZDUSSCGKSA-N 391.251 2.018 50 1 GEGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H]1OC(C)=O 2356759101 JIMSBDGKOARPQW-HCXYKTFWSA-N 388.416 2.369 50 1 GEGF Oc1ccc2c3c1O[C@H]1[C@@H](N=C=S)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 195268482 XQAHUROKJRFJST-XOKMYMENSA-N 384.501 2.428 50 1 GEGF Cc1cc(C)n(-c2cccc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)n1 1857539436 KXLOFNVLNYRBLP-UHFFFAOYSA-N 388.424 2.252 50 1 GEGF COC(=O)c1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 33930837 OKQSEFDVSCOHOK-PWKYRQDESA-N 383.379 2.116 50 1 GEGF COc1cc(C(=O)NNS(=O)(=O)c2ccccc2)cc(-c2ccccn2)c1 1857549370 TUQGWWDPKKICQY-UHFFFAOYSA-N 383.429 2.381 50 1 GEGF NNC(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042426 JKUDRPFINANUBF-AWEZNQCLSA-N 387.852 2.475 50 1 GEGF O=C(c1cc([N+](=O)[O-])ccc1N(CCCl)CCCl)N1CCOCC1 26949250 HGBBTTMEKSGXKR-UHFFFAOYSA-N 376.240 2.351 50 1 GEGF O=C(CCCCCCC(=O)Nc1ccccc1)NCCc1ccc(B(O)O)cc1 1857641079 PPKOHROVUZRVRS-UHFFFAOYSA-N 396.296 2.004 50 1 GEGF CCn1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(=O)c2ccc(C)nc21 103222714 WUZJDISGDVXGKC-KEBDBYFISA-N 379.376 2.397 50 1 GEGF COc1cc(C=CC=O)cc(O)c1-c1c(O)cc([C@H]2OO[C@H]2CO)cc1OC 2356438498 IFBBVNABUSXIKX-FXAWDEMLSA-N 388.372 2.358 50 1 GEGF C[C@@H]1CCC[C@@H](C)N1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1 13825563 BGUNJPMNAQNPJN-IAGOWNOFSA-N 382.512 2.296 50 1 GEGF CC1(C)O[C@@H]2O[C@H]3CO[P@@](=O)(N(CCCl)CCCl)O[C@@H]3[C@@H]2O1 195462533 YSYRTTLOJUVIIT-BPFPBCAUSA-N 376.173 2.166 50 1 GEGF CN(C)CCSSCCCn1cc(CSc2nnc(N)s2)nn1 618009890 MKMDNIGJGLPORQ-UHFFFAOYSA-N 391.617 2.337 50 1 GEGF N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCCN2CCOCC2)cc1 1911585535 CKBYHRUUVKOLSB-NRFANRHFSA-N 393.443 2.321 50 1 GEGF CN(C)CCSSCCN(C)C(=O)c1ccc(NS(C)(=O)=O)cc1 618009527 DZBHRJWAJPVIKW-UHFFFAOYSA-N 391.584 2.073 50 1 GEGF Cc1ccccc1-n1c(O)c(/C=N/NC(=O)c2ccccc2O)c(=O)[nH]c1=S 5626147 VSDIVGXWUJQVQF-KEBDBYFISA-N 396.428 2.379 50 1 GEGF O=c1cc(CCl)oc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1O 96922709 WHVMWBIKRGUDSE-UHFFFAOYSA-N 379.800 2.315 50 1 GEGF O=C(N/N=C/[c-]1cc([N+](=O)[O-])ccc1=O)C(O)(c1ccccc1)c1ccccc1 169689047 QSDUIQGKSBZDBD-HYARGMPZSA-N 390.375 2.060 50 1 GEGF CO[C@]1([C@H]2[C@H](O)C=C(CCC(C=O)=C(C)C)C(=O)OC2(C)C)C=C(C)C(=O)O1 13384195 DRGJVXACADCLMU-LLGFUMIMSA-N 392.448 2.387 50 1 GEGF biogenic CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(C(=O)NN)cc3[nH]2)C(F)(F)C1 587131791 CSMMNYQNKGHQIB-JTQLQIEISA-N 381.383 2.136 50 1 GEGF CC(=O)Oc1ccc2c(c1)OC=C(C=O)[C@@]21NCCc2c(C(=O)O)cccc21 963130497 JDUFQVXYOQALJK-NRFANRHFSA-N 379.368 2.175 50 1 GEGF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(C(=O)NN)cc3[nH]2)C(F)(F)C1 587131810 CSMMNYQNKGHQIB-SNVBAGLBSA-N 381.383 2.136 50 1 GEGF CN(C)CCSSCCNC(=O)[C@H]1CCC(=O)N1Cc1ccc(F)cc1 618008215 BZDCAYHVLMERJP-MRXNPFEDSA-N 399.557 2.376 50 1 GEGF Cn1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C(=O)Cl)n1 587276361 MZQOOAFNYPETCZ-UHFFFAOYSA-N 398.600 2.426 50 1 GEGF C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCSSCCN(C)C 618008618 IMMOZHDUFZYTHI-AWEZNQCLSA-N 385.555 2.361 50 1 GEGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@@H]1[C@](C)(COC(C)=O)[C@@H](O)CC[C@@]12C 2356561722 JZFWRUQOQHVXDM-RCWCMQDESA-N 392.492 2.064 50 1 GEGF Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NNCCN)cc1 1857558223 IINFURUFJBHQTI-ZHACJKMWSA-N 391.519 2.401 50 1 GEGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 28237105 XQAHUROKJRFJST-GQHLEUQBSA-N 384.501 2.428 50 1 GEGF C=C(C=O)[C@@H]1C[C@H](OC(C)=O)[C@H]2[C@]3(C1)C(=O)OC[C@@]21CCCC(C)(C)[C@H]1[C@H]3O 2356744330 WAOUILKFOLDIAX-XOIBMTRMSA-N 390.476 2.430 50 1 GEGF Cn1nnc(=NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)[nH]1 1857547306 WNOBXZCVHKBBRW-UHFFFAOYSA-N 375.473 2.061 50 1 GEGF CCC(=O)N/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 96169187 BKPURHJUWXQFNS-BHGWPJFGSA-N 392.398 2.207 50 1 GEGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2cc2c(c3O)OCO2)cc(OC)c1OC 1857766189 MEJQGFGTHMIFGE-OAHLLOKOSA-N 398.371 2.365 50 1 GEGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@H]2Cl 587497675 FOTTVEPKBHUTCM-BJOOFOGMSA-N 381.211 2.205 50 1 GEGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc1OC 1632105 VYZNKZKKZRBCNW-IAGOWNOFSA-N 385.807 2.241 50 1 GEGF C/C(=N\NC(=S)NNC(=O)c1cccnc1)c1ccc(Br)cc1 49068833 DINXRJAKEPENON-VCHYOVAHSA-N 392.282 2.377 50 1 GEGF CC1(C)O[C@@H]2O[C@@H]3CO[P@@](=O)(N(CCCl)CCCl)O[C@@H]3[C@@H]2O1 195462527 YSYRTTLOJUVIIT-TUDMNXQXSA-N 376.173 2.166 50 1 GEGF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1cccc(B(O)O)c1 653697115 PUZPNBFPGAMIJO-UHFFFAOYSA-N 379.996 2.288 50 1 GEGF COc1ccc(C=NNC(=O)[C@H]2Cc3c([nH]c4ccccc34)CN2)c(OC)c1 2356738224 FESHOMPRBXBJFM-GOSISDBHSA-N 378.432 2.350 50 1 GEGF Cc1n[nH]c2c1[C@@H](c1cc3ccccc3nc1N1CCOCC1)C(C#N)=C(N)O2 72123412 KYDVPUWTNKRUFQ-SFHVURJKSA-N 388.431 2.321 50 1 GEGF Cc1ccc(S(=O)(=O)c2cn(CCSSCCN(C)C)nn2)cc1 618010461 XRFJCZVGTFMOII-UHFFFAOYSA-N 386.568 2.362 50 1 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C=C(C)[C@]1(O)C[C@H](Cl)[C@](C)(O)[C@H]21 2356471269 MQUHJOHJZWDCIY-YKVXWXDXSA-N 396.867 2.032 50 1 GEGF N#CC1=CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1 95580970 PPYOBUNYXXYCKZ-AWEZNQCLSA-N 386.362 2.242 50 1 GEGF CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963608411 LEEXZPDVYFFNTB-UTLVKMTRSA-N 399.871 2.167 50 1 GEGF O=C(CCCCCC(=O)NN/C=C/c1cc(O)ccc1Br)NO 45506355 NUDJEZPDACVVOF-CMDGGOBGSA-N 386.246 2.202 50 1 GEGF O=C1CC[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@H](O)[C@@H](Cl)[C@H]3O 2356324002 OQMIVAJGCRDGIC-DEPCRRQNSA-N 388.803 2.041 50 1 GEGF COc1nc2ccccc2cc1[C@@H]1[C@@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772645756 HUZUQMCIJHBAOY-HZPDHXFCSA-N 382.807 2.474 50 1 GEGF COc1ccc(-n2nnn(C/C(C#N)=C/c3ccc(OC)c(OC)c3)c2=O)cc1 98084841 QDGYJUCEWLEIBQ-XNTDXEJSSA-N 393.403 2.062 50 1 GEGF Cc1ccoc1C(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1 1857647507 WHUABLDZGFULJW-UHFFFAOYSA-N 375.450 2.426 50 1 GEGF CC(=O)Oc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)C(=O)OC2=O)cc1 49757020 SGDZIHAQLUJVRO-UHFFFAOYSA-N 386.381 2.010 50 1 GEGF O=C1CN(CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CCN1 44221416 ZOQABRBLUJMZLR-UHFFFAOYSA-N 376.497 2.436 50 1 GEGF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCCC(=O)NN 587867823 ODHXOZQMRXLIAD-UHFFFAOYSA-N 385.346 2.163 50 1 GEGF C=CC[C@]1(O)C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@H]1CO[Si](C)(C)C(C)(C)C 195774736 UBGWTWUGHWCZRU-KHYOSLBOSA-N 396.560 2.462 50 1 GEGF C=C(NNC(=O)CC#N)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587749356 OIOUYYGZYVFJOC-JDNHERCYSA-N 381.249 2.386 50 1 GEGF C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C[C@@H](OO)C(=C)[C@@H](OC(C)=O)C[C@@H]12 238757784 LJBFGHFUPPDUOI-RCJJKXRDSA-N 380.393 2.102 50 1 GEGF O=C(CN1CCN(Cc2ccccc2)CC1)NN/C=C1\C=Nc2ccccc21 22919348 QJEXRQLXVYZNEY-XDJHFCHBSA-N 375.476 2.182 50 3 GEGF C=CCc1cccc(CNNC(=O)CN2CCN(Cc3ccccc3)CC2)c1O 45298772 YHDPJRDWYWRQJX-UHFFFAOYSA-N 394.519 2.059 50 1 GEGF CCOC1=C/C(=C/NNC(=O)CCCC(=O)NC2CCCCC2)C=CC1=O 13123308 LPBJUGBZRALEFR-CCEZHUSRSA-N 375.469 2.170 50 3 GEGF O=C1C(Br)=CC(Br)=C/C1=C\NNC(=O)c1ccncc1 13125723 FTUCVONDVVSDLJ-VQHVLOKHSA-N 399.042 2.340 50 3 GEGF CCNC(=S)NNC(=O)Cn1c(-c2ccc(OC)cc2)nc2ccccc21 1857612858 IQNMPCLOQJNBDV-UHFFFAOYSA-N 383.477 2.227 50 1 GEGF COc1ccc(/C=N/NC(=O)c2cccc(C(=O)NO)c2)cc1Br 95808820 HYQLAZGENSJZCF-GIJQJNRQSA-N 392.209 2.341 50 1 GEGF NNC(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587884667 PUNJKCUBRGCAHI-UHFFFAOYSA-N 390.270 2.236 50 1 GEGF COc1cc(/C=N/NC(=O)c2ccc(N3CCOCC3)cc2)cc(OC)c1OC 45286083 YISMJQJOBXWGFN-HYARGMPZSA-N 399.447 2.313 50 1 GEGF O=C(CCN1CCN(c2ccccc2)CC1)NNc1nncc2ccccc12 84603849 RVMFZXMPTCNWMK-UHFFFAOYSA-N 376.464 2.285 50 1 GEGF COc1cc2c3c(c1)O[C@](C)(c1ccc(O[C@@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O 587433804 WTFZRLAEQZIORJ-SBOBAANCSA-N 382.416 2.115 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(C(C)=O)cc1 618008066 QXVDQFMNOCQUID-HNNXBMFYSA-N 384.523 2.104 50 1 GEGF Cc1ncc(CN(C=O)/C=C(\CCO)SSC[C@@H]2CCCO2)c(N)n1 33753590 VJDUPRQDUKOXDR-AHSSXEFNSA-N 384.527 2.110 50 3 GEGF in-vitro NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2c(c1)OCO2 28356308 ODGUVYORSKKSTF-UHFFFAOYSA-N 389.216 2.427 50 1 GEGF N#CC1=C(N)[C@@H]2[C@@H](C=C1N)Oc1ccc(Br)cc1[C@H]2C(C#N)C#N 195080083 VLWXXDRFTJHVAG-BZUAXINKSA-N 382.221 2.166 50 1 GEGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@@H](O)[C@]21C 2356531667 HYXIZWTUHCHPMV-BYMKBZAJSA-N 392.492 2.064 50 1 GEGF C=C(C=O)[C@@H]1C[C@H](OC(C)=O)[C@H]2[C@]3(C1)C(=O)OC[C@@]21CCCC(C)(C)[C@H]1[C@@H]3O 2356744329 WAOUILKFOLDIAX-WJZKMHRBSA-N 390.476 2.430 50 1 GEGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)CN1CCCC1=O 1857549044 APEWVPOYMVTRLV-AWQFTUOYSA-N 390.827 2.071 50 1 GEGF O=C1CC[C@H](c2ccc(O)c3c2C(=O)[C@H](Cl)[C@@H](O)[C@@H]3O)c2cccc(O)c21 2356688947 SMPZKKLHFUFDQT-MPIHJGRSSA-N 388.803 2.404 50 1 GEGF COc1cc(/C=N/NC(=O)CCc2nc(O)c3ccccc3n2)cc(OC)c1O 299856580 JYUANFQPMUDXLV-SRZZPIQSSA-N 396.403 2.141 50 1 GEGF CCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O 1857651656 YGEROGXGLAYWKH-OALUTQOASA-N 390.333 2.227 50 1 GEGF CN(C)CCNC(=O)c1cc(N(CCCl)CCCl)ccc1[N+](=O)[O-] 26967994 IMOGHEPIRIGDJM-UHFFFAOYSA-N 377.272 2.170 50 1 GEGF CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)B(O)O)N(C)C(=O)OCc1ccccc1 195098253 FDBOTOPRWZTPRW-ROUUACIJSA-N 392.305 2.213 50 1 GEGF Cc1c(Br)cnc2[nH]c(CCNC(=O)CBr)nc12 586971677 WGFCDOMKVPWYHV-UHFFFAOYSA-N 376.052 2.082 50 1 GEGF O=C1CC[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@H]2[C@H](O)[C@H](Cl)[C@H]3O 2356324008 OQMIVAJGCRDGIC-SLHNCBLASA-N 388.803 2.041 50 1 GEGF CO[C@H]1[C@H]([C@]2(C)O[C@H]2CCC(C)C)[C@@]2(CO2)C[C@H]1OC(=O)NC(=O)CCl 28461459 UOIKTJXSROKAJD-IFLHKVHVSA-N 389.876 2.244 50 1 GEGF Cc1c(CC(N)=O)c2ccc(OCCCC(=O)NN)cc2n1Cc1ccccc1 13446082 ZDVBNCXGNFGEGL-UHFFFAOYSA-N 394.475 2.175 50 1 GEGF O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O 669857 AKNPJRPYCKUCME-UHFFFAOYSA-N 387.373 2.077 50 3 GEGF CO[C@]12C=C[C@@]3(C[C@@H]1N=C=S)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@H]2O5 100706401 NVMMSQRFUQJVRL-SCLBVHBMSA-N 382.485 2.468 50 1 GEGF C=C(NNC(=O)CC#N)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587749355 OIOUYYGZYVFJOC-FVMDXXJSSA-N 381.249 2.386 50 1 GEGF CN(C)CCSSCCNC(=O)c1cnc(O)c(Br)c1 618011765 BHGNZIKPMTVFHK-UHFFFAOYSA-N 380.333 2.223 50 1 GEGF O=C(NNc1ccccc1)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1 27209000 ZHMZUOYENVOETE-OAHLLOKOSA-N 393.852 2.163 50 1 GEGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@@H]1[C@](C)(COC(C)=O)[C@H](O)CC[C@@]12C 2356561723 JZFWRUQOQHVXDM-YFVLAJBOSA-N 392.492 2.064 50 1 GEGF CC1(C)O[C@@H]2O[C@@H]3CO[P@](=O)(N(CCCl)CCCl)O[C@H]3[C@@H]2O1 105515044 YSYRTTLOJUVIIT-OKQNTVEMSA-N 376.173 2.166 50 1 GEGF CCC(=NOCc1ccccc1)C(=O)NNS(=O)(=O)c1ccc(C)cc1 254051241 PRWJWOMCJUXRMV-UHFFFAOYSA-N 375.450 2.287 50 3 GEGF OB(O)c1cscc1[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962957232 MTEBNPHHCCAYSW-INIZCTEOSA-N 397.227 2.188 50 1 GEGF CCN(CC)CCN1C(=O)/C(=N\NC(=O)CN2CCCCCC2)c2ccccc21 1772644191 ASRHCUUOISEKNR-FLFQWRMESA-N 399.539 2.071 50 1 GEGF NNC(=O)c1ccnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587657410 WAAJECGRNRSDQS-UHFFFAOYSA-N 393.353 2.329 50 1 GEGF CN(C)CCSSCCNC(=O)Nc1cccc2c(O)nnc(O)c12 618007791 QJTYBAVXDZBENP-UHFFFAOYSA-N 383.499 2.106 50 1 GEGF O=C(NCCCBr)C1=CC2=C(CO1)C(=O)c1ccccc1C2=O 29348183 CLCQNGBKPSLWKG-UHFFFAOYSA-N 376.206 2.178 50 1 GEGF C=C1C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)C[C@@H](OC(=O)C(C)C)[C@H]12 2356378276 DGDXEWDWVPRYPG-QRVBRYPASA-N 390.432 2.451 50 1 GEGF CC1(C)C(=O)[C@H](O)[C@H]2O[C@@]2(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 2356793831 KSYAFSNQMRYMMK-XNAUKEPRSA-N 381.694 2.016 50 1 GEGF CC(C)CN(NC(=O)C1CCC(=O)CC1)c1nc(C#N)ncc1Br 169352987 QDZCFKFYFOTOPG-UHFFFAOYSA-N 394.273 2.364 50 1 GEGF CC(C)[Si](OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)(C(C)C)C(C)C 170069597 ZKTWJRLCMJWTCV-YQQAZPJKSA-N 384.549 2.377 50 1 GEGF C=C(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C(C=O)=CCCC(C)=C[C@@H]2OC(=O)C(=C)[C@H]21 2356759102 JIMSBDGKOARPQW-MANSERQUSA-N 388.416 2.369 50 1 GEGF CCOC(=O)[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 13822343 IZNDRNBAQQZJSB-KGZWWPETSA-N 380.400 2.295 50 1 GEGF C=C(NNC(=O)Cc1ccc(O)cc1)c1ccc(NC(=O)CCC(=O)O)cc1 28826005 VQFORSBJAKBFNK-UHFFFAOYSA-N 383.404 2.030 50 1 GEGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 194910543 XQAHUROKJRFJST-OVBLOAMVSA-N 384.501 2.428 50 1 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)C=C(C)[C@]1(O)C[C@H](Cl)[C@](C)(O)[C@@H]21 2356397489 NTSCRVXVXUXXKN-OJSYPVCGSA-N 398.883 2.111 50 1 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2cccc(F)c2F)cc(-n2cccn2)c1 1857606643 GTAJEOXGGAMFAK-UHFFFAOYSA-N 392.387 2.082 50 1 GEGF O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(OC(F)(F)F)c1 1857607515 CSRFSYQFYVIKRJ-UHFFFAOYSA-N 378.303 2.348 50 1 GEGF C=C(C)[C@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@](=O)N1)c1ccc(C)s1 2356704845 KAWASQKGKXTGFL-QZXCRCNTSA-N 399.501 2.191 50 1 GEGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CCl)(c3cnc(O)[nH]3)N12 962671423 RKKFQCTYMLQXEK-MOPGFXCFSA-N 386.839 2.245 50 1 GEGF CCOC(=O)N1CC[C@@]2(NCCc3c(C(=O)O)cccc32)[C@H](Br)C1 963121893 MDAIRSACYKUVCN-PBHICJAKSA-N 397.269 2.352 50 1 GEGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@H]1[C@@]2(C)CC[C@@H](O)[C@@]1(C)COC(C)=O 2356561721 JZFWRUQOQHVXDM-IUZRRUOMSA-N 392.492 2.064 50 1 GEGF COc1ccc(/C=N/NC(=O)Cn2nnc(/C=C/c3ccccc3)n2)cc1OC 1857541830 OGOLUUYSNRDTJJ-TXLOLLTHSA-N 392.419 2.011 50 1 GEGF O=C(NNc1ccccc1)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)cc1 27209003 ZHMZUOYENVOETE-HNNXBMFYSA-N 393.852 2.163 50 1 GEGF CC/C=C\C1=C(C[C@H](CC)CC2=C(CCC(=O)O)C(=O)OC2=O)C(=O)OC1=O 206918594 LESRNXLJDKOYNX-GZTOBOFZSA-N 390.388 2.384 50 1 GEGF O=C(/C=C/c1c(F)cc(F)cc1F)NC(=S)NNC(=O)Cc1cccs1 217495585 CKRYZOYXPPUKHI-ONEGZZNKSA-N 399.419 2.443 50 1 GEGF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)CC(C)C)C=C(C)[C@]1(O)C[C@@H](Cl)[C@](C)(O)[C@H]21 238759936 BRCXFZCYUXDGDA-OFQXIYNYSA-N 398.883 2.111 50 1 GEGF CCOC(=O)c1cnc(NNC(=O)OC(C)(C)C)n2nc(-c3ccco3)nc12 1857764593 RXVGYNYYZNXLSR-UHFFFAOYSA-N 388.384 2.413 50 1 GEGF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)NN)cc2[nH]1 587264645 JFTYTTICASBXCK-QMMMGPOBSA-N 385.340 2.156 50 1 GEGF Cc1ccccc1[C@]1(CCCl)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963208292 SKBMXBHNTXNWGP-XGHQBKJUSA-N 398.894 2.349 50 1 GEGF CN(C#N)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 66103493 XWMOCHXKDCBQPV-SFHVURJKSA-N 382.420 2.016 50 1 GEGF O=C(CCC(=O)Nc1ccc(Br)cc1)NN/C=C1\C=CC=CC1=O 12475263 GIZXUTLTLLYMAL-VAWYXSNFSA-N 390.237 2.368 50 3 GEGF CCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(N4CCOCC4)cc3)[C@@H]2C1 71295451 SVBBGDAKZXKPJU-TUNNFDKTSA-N 398.507 2.015 50 1 GEGF COc1cccc(CN(CC(=O)NCc2ccccc2)S(=O)(=O)CCl)c1 36383099 NQDHGCRPSACWDW-UHFFFAOYSA-N 396.896 2.340 50 3 GEGF COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1ccco1 1660533 XJWPKJQJPBGGIZ-HUUCEWRRSA-N 377.784 2.082 50 1 GEGF NNC(=O)c1cccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587660057 BNMXUJFOIMWXOC-UHFFFAOYSA-N 375.363 2.190 50 1 GEGF CC(C)(C)OC(=O)NC1(c2nc3ccc(C(=O)NN)cc3[nH]2)CCC(=O)CC1 587234125 GOTAAZODALGVHY-UHFFFAOYSA-N 387.440 2.030 50 1 GEGF NNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 587897464 FFNJEMQPFJRRJL-UHFFFAOYSA-N 382.272 2.369 50 1 GEGF CC(=O)Oc1c(C(=O)Nc2ncc([N+](=O)[O-])s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 95558909 XPULMVZJZPPRBU-UHFFFAOYSA-N 397.281 2.045 50 1 GEGF Cc1cc(NNC(=O)c2ccc(S(C)(=O)=O)cc2)c2cc3c(cc2n1)OCO3 84725424 PLIOSNNQNRIYBM-UHFFFAOYSA-N 399.428 2.432 50 1 GEGF COc1cc([C@@H]2C(=O)[C@@H](Cl)N2Nc2nc(C)cc(O)n2)cc(OC)c1OC 254224052 MJJGZYDLKPNHOD-CJNGLKHVSA-N 394.815 2.034 50 1 GEGF C/C(=N\NC(N)=O)c1ccc2ncc([C@H](C)c3cc4cnn(C)c4cc3F)n2n1 96169180 QQJIDECYGWUJSX-VRSUPBRKSA-N 394.414 2.299 50 1 GEGF CC1(C)O[C@H]2[C@H]3O[P@](=O)(N(CCCl)CCCl)OC[C@H]3O[C@@H]2O1 105507219 YSYRTTLOJUVIIT-NCTFCVSCSA-N 376.173 2.166 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1cc(F)ccc1F 618007637 CWWWEKRWCFMYCF-AWEZNQCLSA-N 392.493 2.108 50 1 GEGF CC(C)[Si](OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)(C(C)C)C(C)C 170069600 ZKTWJRLCMJWTCV-ZMSDIMECSA-N 384.549 2.377 50 1 GEGF O=C(Nc1ccc(F)cc1)c1ccc(SCc2cccc(B(O)O)c2)nc1 198305222 RUKCVKWAXNCZGI-UHFFFAOYSA-N 382.225 2.445 50 1 GEGF O=NN(CCCl)C(=O)N[C@@H]1CCC[C@@H](NC(=O)N(CCCl)N=O)C1 43641006 BCLXFHKREAITIH-NXEZZACHSA-N 383.236 2.161 50 1 GEGF NNC(=O)c1cc(-c2ccccc2)nn1C[C@H](O)COc1ccc(Cl)cc1 40935443 RWFZFIJJLJPTGC-HNNXBMFYSA-N 386.839 2.247 50 1 GEGF O=C(Cc1c(NC(=O)CCl)sc2c1CCCC2)NNC(=S)S 72121470 HPRKAXQQWJSFBW-UHFFFAOYSA-N 377.944 2.182 50 1 GEGF Cc1n[nH]c2c1[C@H](c1cc3ccccc3nc1N1CCOCC1)C(C#N)=C(N)O2 72123413 KYDVPUWTNKRUFQ-GOSISDBHSA-N 388.431 2.321 50 1 GEGF CS(=O)(=O)NC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49784034 MIMXUNHOXAGEFD-UHFFFAOYSA-N 399.509 2.470 50 1 GEGF COC(=O)C1=C(Cn2cnnn2)NC(C)=C(C#N)[C@@H]1c1ccc(F)cc1Cl 58568952 QWWNXNFWXOZGLJ-HNNXBMFYSA-N 388.790 2.077 50 1 GEGF O=C(N/N=C/c1ccc2c(c1)no[n+]2[O-])c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 72113028 NYWWBZRFUYZBPF-FBCYGCLPSA-N 395.253 2.152 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1cc(F)cc(F)c1 618007757 HJPNQTSOFFTUMB-AWEZNQCLSA-N 392.493 2.108 50 1 GEGF C/C(=N\NC(N)=O)c1ccc2nnc(C(C)(C)c3ccc4ncccc4c3)n2n1 96169159 OBLTXPZBAMQXRD-FSJBWODESA-N 388.435 2.391 50 1 GEGF NC(=O)c1cc([N+](=O)[O-])ccc1CO[P@@](N)(=O)N(CCCl)CCCl 95576718 GEYDMWREXLPRCK-XMMPIXPASA-N 399.171 2.057 50 1 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C=C(C)[C@]1(O)C[C@H](Cl)[C@@](C)(O)[C@H]21 2356471266 MQUHJOHJZWDCIY-HOHTUIBKSA-N 396.867 2.032 50 1 GEGF CC(C)[Si](OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)(C(C)C)C(C)C 170069606 ZKTWJRLCMJWTCV-UXLLHSPISA-N 384.549 2.377 50 1 GEGF C[C@H](C(=O)NCCCSSCCN(C)C)N1C(=O)c2ccccc2C1=O 618009022 PAGVIDSCFKZHQS-CYBMUJFWSA-N 395.550 2.120 50 1 GEGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CCl)(c3cnc(O)[nH]3)N12 962671431 RKKFQCTYMLQXEK-RBUKOAKNSA-N 386.839 2.245 50 1 GEGF NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccco1 473135382 OMVFMNKSGDKVJB-IEBWSBKVSA-N 376.416 2.447 50 1 GEGF O=[P@]1(NCCBr)OCC[C@H](OO)N1CCBr 169319596 SGUQUUFCWPFQBF-HYORBCNSSA-N 381.989 2.012 50 1 GEGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCC[C@@H](O)C2)cc1 1857646512 SQLVYKIAHHIDJF-MRUVXERFSA-N 382.420 2.315 50 1 GEGF COC1=C/C(=C/NN/C=C2\C=NC(=O)C(C#N)=C2Nc2ccccc2)C=CC1=O 15962505 NAJVBHMAIIKWBC-KFWRFBQVSA-N 387.399 2.018 50 3 GEGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@H]1[C@@]2(C)CC[C@H](O)[C@@]1(C)COC(C)=O 2356561724 JZFWRUQOQHVXDM-YKJMWPBOSA-N 392.492 2.064 50 1 GEGF CCOC(=O)Cn1ncc2c(Nc3ccc(NC(=O)CCl)cc3)ncnc21 96914185 HVQCLEOGNATTMM-UHFFFAOYSA-N 388.815 2.310 50 1 GEGF C=C1CCC2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C[C@H]1OO 238759231 VPUUNRFILDDXAY-WJMKIABOSA-N 380.393 2.248 50 1 GEGF CC1=C2C=C[C@](C)(O)CC=C[C@](C)(OO)CCC[C@H](C)C(=O)[C@]2(O)OC1=O 2356658388 QTKBFSVJJYCYJS-BBLUDWJGSA-N 380.437 2.439 50 1 GEGF Nc1ccc(-c2ccc3nc(CCNC(=O)CBr)[nH]c3c2)cc1N 586971601 UDGVGRCYYQPKIX-UHFFFAOYSA-N 388.269 2.448 50 1 GEGF Cc1cc(-c2ncccn2)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F 1857550750 ZEILGPBOAJFIRQ-UHFFFAOYSA-N 386.408 2.214 50 1 GEGF CC1=C2C=C[C@](C)(O)CC=C[C@](C)(OO)CCC[C@H](C)C(=O)[C@@]2(O)OC1=O 2356658389 QTKBFSVJJYCYJS-HAEOHBJNSA-N 380.437 2.439 50 1 GEGF CCN(CC)c1ccc2cc(C(N)=O)/c(=N/NC(=O)c3ccncc3)oc2c1 1505863 PXJWYMYEBFOTLA-GFMRDNFCSA-N 379.420 2.019 50 1 GEGF COc1ncc(S(=O)(=O)N(N)C(=O)c2ccc(Cl)cc2Cl)s1 28350662 KLQNDUUXOJXSMH-UHFFFAOYSA-N 382.250 2.163 50 1 GEGF C/C(=N\NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1O 8229534 ACKVOYWJCCXEPI-YBFXNURJSA-N 395.868 2.450 50 1 GEGF C[C@]1(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC2(CCCCC2)OO1 49678793 RQERHAIDHUSWSQ-KRWDZBQOSA-N 382.482 2.154 50 1 GEGF O=C(N/N=C/c1ccccc1Cl)C1=C(O)c2ccccc2S(=O)(=O)N1 49552120 JQIVJGPUSFKZLC-GIJQJNRQSA-N 377.809 2.009 50 1 GEGF CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cccc(F)c32)o1 962892565 CXGPXKISJDYTCT-KBXCAEBGSA-N 380.803 2.136 50 1 GEGF CO[P@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl 26171257 ZNYBFLIPAJXDFP-QHCPKHFHSA-N 394.188 2.380 50 1 GEGF COC(=O)c1sc(NC(=O)Nc2ccc(/C(C)=N/NC(N)=O)cc2)nc1C 40408818 PPBBOHJUQABDPO-ODCIPOBUSA-N 390.425 2.274 50 1 GEGF CCS(=O)(=O)CCN1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 43552736 BGVXKWGMESBWKS-UHFFFAOYSA-N 385.526 2.344 50 1 GEGF Cc1cc(NCCN(C)C)nc2sc(C(=O)N/N=C/c3cccn3C)c(N)c12 71316854 MDDWNKJYXSHXOI-SSDVNMTOSA-N 399.524 2.263 50 1 GEGF NNC(=O)CCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658658 RIEWLVNGDJYTAI-UHFFFAOYSA-N 382.395 2.393 50 1 GEGF Cc1c(C)[n+](=O)c2cc(/C=N/NC(=O)NCCc3ccccc3)ccc2n1O 377848883 CKEUETMGRYESGS-LPYMAVHISA-O 380.428 2.286 50 1 GEGF Cc1ccc(S(=O)(=O)NNC(=O)C(Cl)(C(F)(F)F)C(F)(F)F)cc1 68574206 BJIHIWCTAXVAIA-UHFFFAOYSA-N 398.712 2.407 50 1 GEGF biogenic COc1ccc(Br)cc1/C=N/NC(=O)c1cccc(C(=O)NO)c1 95808828 OWWXOJSYNRMYRJ-GIJQJNRQSA-N 392.209 2.341 50 1 GEGF O=C(CCl)Oc1ccc2c(c1)[n+]([O-])c1cc(Br)ccc1[n+]2[O-] 64549070 LMFOHSSQEGSFML-UHFFFAOYSA-N 383.585 2.167 50 1 GEGF C=C1C(=O)O[C@@H]2/C(O)=C(/CO)CC/C=C(/C=O)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 238761925 OJQBJJJMYHMXPS-RNVNTJFYSA-N 376.405 2.076 50 1 GEGF O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1cccnc1 473112621 CXECVOBCNVJKBX-FSJBWODESA-N 375.388 2.258 50 1 GEGF O=C(CSCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1 6535179 FQNNLXHHDSWKOZ-VGENTYGXSA-N 390.415 2.298 50 1 GEGF COC1=CC(=CNNC(=O)Cc2ccc(Br)cc2)C=C(OC)C1=O 13126031 AKZGVGHPJSZLIJ-UHFFFAOYSA-N 393.237 2.140 50 3 GEGF COc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)cc1OC 84704158 NTHBYAFFXFBUIA-CIPMJJFUSA-N 386.404 2.313 50 1 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)C=C(C)[C@]1(O)C[C@H](Cl)[C@@](C)(O)[C@@H]21 2356397488 NTSCRVXVXUXXKN-AWULWYHRSA-N 398.883 2.111 50 1 GEGF NNC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587883009 RQAJTCAMBMRVEI-UHFFFAOYSA-N 376.243 2.307 50 1 GEGF O=C(CBr)NCCc1nc2c(Cl)c(Br)cnc2[nH]1 586971034 KUPMRPQQZPKCIY-UHFFFAOYSA-N 396.470 2.427 50 1 GEGF COc1cc2c(cc1OC)[C@H]1[C@H](C)C(=NNC(N)=O)C3=C(CCCC3=O)N1CC2 2356727759 SSWXYDNWTFYCBC-BIBXISHDSA-N 398.463 2.284 50 1 GEGF C[C@@]1(c2ccc(B(O)O)c([N+](=O)[O-])c2)NCCc2cc(-c3ccccc3)ccc21 962669745 SFGUSWQGBUNEDD-QFIPXVFZSA-N 388.232 2.351 50 1 GEGF Cc1ccc2c(c1Br)/C(=N/NC(=O)Cc1ccc(O)cc1)C(=O)N2 72180255 BTMPVZAHQSMNQT-UHFFFAOYSA-N 388.221 2.478 50 1 GEGF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)cc1 587245249 RIHFOWGUBAIMTJ-UHFFFAOYSA-N 390.403 2.306 50 1 GEGF Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21 618014023 JIUBTXGWJXUFEX-ULKYRNGJSA-N 395.463 2.031 50 1 GEGF Cc1ccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2ccccc2)cc1 195292480 VEIKJSASZTVAQF-UXHICEINSA-N 396.296 2.399 50 1 GEGF O=S(=O)(C1CC1)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 43197822 HJPPYXUCKJBZIR-UHFFFAOYSA-N 385.482 2.333 50 1 GEGF Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@@H]21 618014022 JIUBTXGWJXUFEX-RHCAZMJXSA-N 395.463 2.031 50 1 GEGF CCO/C=N/NC(=O)c1nc(O)c2c(n1)N(c1ccccc1)C(=O)N1CCC[C@H]21 84726262 CTEWFECZMGFRHP-AYPRBGQRSA-N 396.407 2.300 50 1 GEGF C=C1[C@H](OO)C[C@H](OC(C)=O)C(C)=C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H]1OC(C)=O 2356456616 LJBFGHFUPPDUOI-ILOCAZANSA-N 380.393 2.102 50 1 GEGF CCOc1ccccc1[C@@](N)(c1nc2ccc(C(=O)NN)cc2[nH]1)C(F)(F)F 587092472 NJYPJGLMUNUKDO-QGZVFWFLSA-N 393.369 2.330 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cccc(F)c1F 618008265 WLNAICXIDCWIHE-LBPRGKRZSA-N 378.466 2.179 50 1 GEGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2cc2c(c3O)OCO2)cc(OC)c1OC 1857766188 MEJQGFGTHMIFGE-HNNXBMFYSA-N 398.371 2.365 50 1 GEGF C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCSSCCN(C)C 618008620 IMMOZHDUFZYTHI-CQSZACIVSA-N 385.555 2.361 50 1 GEGF C=C(C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)C(=C)[C@@H](Cl)[C@H]2OC(=O)C(=C)[C@H]12 13585388 GPJBWKFKJJCBNM-FTLZPGDLSA-N 378.808 2.381 50 1 GEGF CCNCCCNCCCNCCCNCC1CCC(Br)CC1 26577732 RQIXFVHMJQTUGQ-UHFFFAOYSA-N 391.442 2.489 50 1 GEGF COc1cc([C@H]2Oc3cc(/C=C/C=O)cc(OC)c3O[C@@H]2CO)cc(O)c1O 142393204 FGFPVGRKMPVITI-JFZXIXNHSA-N 388.372 2.201 50 1 GEGF CC(=O)Nc1ccc(/C=N/NC(=O)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 45387771 MTRRBPSBJVZLNG-VXLYETTFSA-N 394.347 2.367 50 1 GEGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)[C@@H](O)C[C@@H]1OO 2356747194 WLZFLEFYOXJHBL-IECFSIQFSA-N 378.421 2.478 50 1 GEGF C[C@]12C[C@@H](c3ccccc3O1)[C@@H](C(=N)NNC(=O)c1ccc(F)cc1)C(=O)N2 169296219 AICFEIXZPKABPO-DKICVRJWSA-N 382.395 2.066 50 1 GEGF CN(C)CCSSCCNC(=O)CN(C)C(=O)OCc1ccccc1 618008722 JWQVLFCOXGDRLG-UHFFFAOYSA-N 385.555 2.314 50 1 GEGF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cc2N1 587122159 AEXRBUGKIFBYSL-MADCSZMMSA-N 379.346 2.337 50 1 GEGF CC(C)(C)OC(=O)N(Cc1nc2ccc(C(=O)NN)cc2[nH]1)C[C@@H]1CCCO1 587197859 VZGLOXYFFZGVNQ-ZDUSSCGKSA-N 389.456 2.083 50 1 GEGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1 618008596 HFEKUKIIDMMABI-AWEZNQCLSA-N 385.555 2.191 50 1 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC(C)C)C=C(C)[C@]1(O)C[C@H](Cl)[C@@](C)(O)[C@H]21 2356439746 BRCXFZCYUXDGDA-URHNCODESA-N 398.883 2.111 50 1 GEGF CO[C@]1([C@@H]2[C@@H](O)C=C(CCC(C=O)=C(C)C)C(=O)OC2(C)C)C=C(C)C(=O)O1 14921358 DRGJVXACADCLMU-CSODHUTKSA-N 392.448 2.387 50 1 GEGF biogenic C=C1C(=O)O[C@@H]2C(O)=C(CO)CCC=C(C=O)C[C@H](OC(=O)C(C)=CC)[C@H]12 2356418578 OJQBJJJMYHMXPS-BQFCYCMXSA-N 376.405 2.076 50 1 GEGF CCOC(=O)C[C@@H](Br)[C@@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962917451 HBFOZOFQXZWJIL-ZENOOKHLSA-N 388.233 2.357 50 1 GEGF COC(=O)c1ccc(/N=N/N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)cc1 103294144 YUUORFYVTBGJDO-CCWVLBSLSA-N 398.419 2.383 50 1 GEGF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 586973557 PFLVFZVFUUKTBI-QGZVFWFLSA-N 383.477 2.277 50 1 GEGF O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccccc1 29563358 WIGFCTLTFKZRLH-INIZCTEOSA-N 399.451 2.210 50 1 GEGF NNC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144996 UIGZOQRBPFKEDB-GFCCVEGCSA-N 392.232 2.311 50 1 GEGF O=C1CC[C@H](c2ccc(O)c3c2C(=O)[C@H](Cl)[C@H](O)[C@@H]3O)c2cccc(O)c21 2356688950 SMPZKKLHFUFDQT-YEPNYNEKSA-N 388.803 2.404 50 1 GEGF O=C1CC[C@H](c2ccc(O)c3c2C(=O)[C@H](Cl)[C@@H](O)[C@H]3O)c2cccc(O)c21 2356688948 SMPZKKLHFUFDQT-QHVPNZJPSA-N 388.803 2.404 50 1 GEGF COc1cc([C@H]2C(=O)[C@@H](Cl)N2Nc2nc(C)cc(O)n2)cc(OC)c1OC 263602489 MJJGZYDLKPNHOD-BBRMVZONSA-N 394.815 2.034 50 1 GEGF C=C(NNC(=O)CC#N)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587750056 RGNYMYBEDZVUFH-FVMDXXJSSA-N 381.249 2.386 50 1 GEGF O=C(NN=Cc1cccc(Br)c1)[C@H]1C=C(c2ccccc2)NNC1=O 957574186 JOLVHUFICYDNBG-OAHLLOKOSA-N 399.248 2.191 50 1 GEGF Cc1c(-c2nc3ccc(C(=O)NN)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074802 ZTBNVCIOKDMKEU-UHFFFAOYSA-N 381.827 2.435 50 1 GEGF Cc1ccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2ccccc2)cc1 195292492 VEIKJSASZTVAQF-PMACEKPBSA-N 396.296 2.399 50 1 GEGF Cc1cc(C(=O)N2CCC(C(=O)NCCSSCCN)CC2)ccc1F 618008125 YZGZTRZYNYMBSU-UHFFFAOYSA-N 399.557 2.443 50 1 GEGF COc1cc([C@H]2C(C#N)=C(N)Oc3cc4[nH]c(=N)[nH]c4cc32)cc(OC)c1OC 1857651347 KIZJBQWFZOKBLK-QGZVFWFLSA-N 393.403 2.219 50 1 GEGF CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccc(Br)cc2)CC1(C)C 84654003 XXHNMVUVEKWCTH-MRXNPFEDSA-N 398.257 2.125 50 1 GEGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](Cl)C(=O)C(=O)[C@H]2Cl 587497681 FOTTVEPKBHUTCM-XHBKTUGNSA-N 381.211 2.205 50 1 GEGF CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)CC1(C)C 84708610 PNHWNYWBXUZPLV-MRXNPFEDSA-N 387.358 2.381 50 1 GEGF CCNC(=S)NNC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1857597852 GEECHBNWOIXMBT-UHFFFAOYSA-N 397.456 2.354 50 1 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C=C(C)[C@]1(O)C[C@H](Cl)[C@@](C)(O)[C@@H]21 2356471267 MQUHJOHJZWDCIY-IIXZGOPXSA-N 396.867 2.032 50 1 GEGF CCc1cccc(Nc2ccn(CCC(=O)N[C@@H](CC(C)C)B(O)O)c(=O)c2)c1 1857558663 VAUYIMKWCQLKCY-IBGZPJMESA-N 399.300 2.087 50 1 GEGF CO[C@]12C=C[C@@]3(C[C@@H]1N=C=S)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 29338807 NVMMSQRFUQJVRL-GZIKEGELSA-N 382.485 2.468 50 1 GEGF Cc1cc(S(N)(=O)=O)c(S[C@@H](C(=O)NN)c2ccccc2)cc1Cl 45497805 YAXQKRHKGIYQHU-CQSZACIVSA-N 385.898 2.119 50 1 GEGF C=C1C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C[C@H]1OO 238770205 WLZFLEFYOXJHBL-FKDPZDOBSA-N 378.421 2.478 50 1 GEGF CCOC(=O)CCCN1C(=O)[C@@H]2SS[C@H]1C(=O)N2Cc1ccccc1 1857573797 AQKVBCXAXBLUOR-IRXDYDNUSA-N 380.491 2.248 50 1 GEGF CC(C)C[C@@H](CB(O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 653730257 ROGSYHYPGSUTIP-PMACEKPBSA-N 396.296 2.031 50 1 GEGF Cc1cc2c(cc1O)[C@@](CBr)(c1ccncc1F)N[C@H](C(=O)O)C2 963521843 CTJGVXJWCMDRMY-WMLDXEAASA-N 395.228 2.472 50 1 GEGF C=C1C(=O)O[C@@H]2CC(CO)=CCCC(COC(=O)[C@](C)(O)CCl)=CC[C@@H]12 2356588717 DTWOPKMGYSYHJE-FRQCXROJSA-N 384.856 2.036 50 1 GEGF COc1ccc(CCNC(=O)C/C(C)=N\NC(=O)c2ccc(N)cc2)cc1OC 13152125 ODWYBWDKGXAXGL-OYKKKHCWSA-N 398.463 2.141 50 1 GEGF C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CC[N@+]4(CCl)CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 2356392926 UIBOCRJJYNMZLO-JUOQOPBSSA-N 384.880 2.144 50 1 GEGF C=C1C(=O)O[C@H]2C/C(C=O)=C\C[C@H](OC(C)=O)/C(COC(=O)C(C)C)=C/C[C@H]12 238770195 IUELPJDSUREOCQ-JIAAYUENSA-N 390.432 2.451 50 1 GEGF COc1ccc(OC)c(C=NNC(=O)[C@H]2Cc3c([nH]c4ccccc34)CN2)c1 2356737861 WXOCOZHDOGJYFA-GOSISDBHSA-N 378.432 2.350 50 1 GEGF CO[C@]1([C@H]2[C@@H](O)C=C(CCC(C=O)=C(C)C)C(=O)OC2(C)C)C=C(C)C(=O)O1 14921363 DRGJVXACADCLMU-XGHQBKJUSA-N 392.448 2.387 50 1 GEGF biogenic O=C(CI)NCCCCC(=O)OCc1ccccc1 169348021 WLZBODOZMZNGRU-UHFFFAOYSA-N 375.206 2.451 50 1 GEGF C=C1CCC2=C(COC(C)=O)C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)C[C@@H]1OO 2356472381 VPUUNRFILDDXAY-OKZBNKHCSA-N 380.393 2.248 50 1 GEGF COc1cc(C=CC=O)cc(O)c1-c1c(O)cc([C@@H]2OO[C@@H]2CO)cc1OC 2356438500 IFBBVNABUSXIKX-XLIONFOSSA-N 388.372 2.358 50 1 GEGF CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(CCCl)CCCl 26966380 ZWHTURPSDFBIMT-UHFFFAOYSA-N 377.272 2.170 50 1 GEGF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2=O)cc1O 141006691 VZFQNCOCMAWXBV-UHFFFAOYSA-N 386.356 2.421 50 1 GEGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CCl)(c3cnc(O)[nH]3)N12 962671427 RKKFQCTYMLQXEK-OALUTQOASA-N 386.839 2.245 50 1 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2ccc(C)cc2F)cc(-n2cccn2)c1 1857602602 ROFFEWNSOZIBCR-UHFFFAOYSA-N 388.424 2.252 50 1 GEGF CC(=O)Nn1c(S)nnc1Cc1c(NC(=O)CCl)sc2c1CCCC2 72174786 CPTDAWQNKGGCQX-UHFFFAOYSA-N 399.929 2.365 50 1 GEGF N#CC1=CC=CC(=NC2=C(Nc3cccc(Cl)c3Cl)N[S@@](=O)N2)C1=O 2356704928 NMQHKGKIKFRSCI-RUZDIDTESA-N 394.243 2.333 50 1 GEGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc3c(c2)NC(=O)CO3)cc1 96933743 ROFSUWAHDRPIFQ-DYTRJAOYSA-O 388.407 2.228 50 1 GEGF Cc1nc2ccc(-n3ncc(C(=O)C4=C[C@H]5C=CC(C#N)=C[C@@H]5N4)c3N)cc2[nH]1 205250420 IRVNUYFGIYEUAJ-DYVFJYSZSA-N 383.415 2.314 50 1 GEGF C=C1C(=O)O[C@@H]2C[C@](C)(OO)C[C@H](OC(C)=O)C=C(C)[C@@H](OC(C)=O)C[C@@H]12 2356387375 QSTVRQLWSFTDDH-DIKXUDHVSA-N 382.409 2.326 50 1 GEGF CS(=O)(=O)c1ccc(CO[P@](N)(=O)N(CCCl)CCCl)cc1 1625792 YKHZULXNYWCKNE-NRFANRHFSA-N 389.241 2.453 50 1 GEGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccc(B(O)O)cc1)C1CCCC1 963634574 KPFFTTYLZULCRP-CMJOXMDJSA-N 395.308 2.352 50 1 GEGF C/C(=N\NC(N)=O)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1 96169146 DEUDJJFWDGOBNT-AUEPDCJTSA-N 396.361 2.205 50 1 GEGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(OCC(N)=O)cc1)[C@@H](C2)C3=O 587417212 JSZOAFAUBSLFMN-MGPUTAFESA-N 387.819 2.441 50 1 GEGF O=C(CBr)Nc1cccc(C(=O)NC(=O)Nc2ccccn2)c1 40933832 HEWMCAQYFIGTFM-UHFFFAOYSA-N 377.198 2.377 50 1 GEGF N#CC1=C(N)[C@H]2[C@H](C(C#N)C#N)c3cc(Br)ccc3O[C@H]2C=C1N 101006183 VLWXXDRFTJHVAG-ARFHVFGLSA-N 382.221 2.166 50 1 GEGF Cc1c(/C=N/NC(=O)c2ccncc2)[n+](=O)c2cc(C(F)(F)F)ccc2n1O 71334807 BPIVDONCMHVYBC-LSFURLLWSA-O 392.317 2.279 50 1 GEGF CCOC(=O)c1cn(C)c2ccc(/C(C)=N/NC(=O)c3ccncc3)cc2c1=O 1857601315 ZFNZFUQUWQSCOX-YDZHTSKRSA-N 392.415 2.264 50 1 GEGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(C)=O)cccc2-3)cc1 14945685 CKUFTNKWKUUZBS-UHFFFAOYSA-N 391.387 2.469 50 1 GEGF N[C@H](CSCC1CCCCC1)[C@H](O)C(=O)NNC(=O)c1cccc(Cl)c1 27988277 YQHZURYEZYAGGR-CVEARBPZSA-N 399.944 2.103 50 1 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)c(F)c(-n2cccn2)c1 1857598191 SZRYBPQFHMFABP-UHFFFAOYSA-N 392.387 2.082 50 1 GEGF COc1ccc(C(=O)NCC(=O)N/N=C/c2cn(C)c3ccccc23)cc1OC 6391874 GPVABKWPJLTZHL-FOKLQQMPSA-N 394.431 2.076 50 3 GEGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(OCC(N)=O)cc1)[C@@H](C2)C3=O 587417213 JSZOAFAUBSLFMN-YWZLYKJASA-N 387.819 2.441 50 1 GEGF O=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-c2ncccn2)c1 1857578202 PLXZVWISMBOZDF-UHFFFAOYSA-N 390.371 2.045 50 1 GEGF NNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 587897782 UIQVYPZVEFSPBZ-UHFFFAOYSA-N 382.272 2.369 50 1 GEGF COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4[nH]c(=N)[nH]c4cc32)cc(OC)c1OC 1857651346 KIZJBQWFZOKBLK-KRWDZBQOSA-N 393.403 2.219 50 1 GEGF C=C(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C(C=O)=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]12 2356759103 JIMSBDGKOARPQW-MKXGPGLRSA-N 388.416 2.369 50 1 GEGF O=C(N/N=C1\C(=O)Nc2ccc(Br)cc21)Nc1nnc(S)s1 28863675 QWOSHSULVITANU-UHFFFAOYSA-N 399.255 2.067 50 1 GEGF CCCCNC(=S)Nc1nc(C(=O)NNC(=O)c2ccccc2)cs1 5782087 QPPVOPRCFMANPP-UHFFFAOYSA-N 377.495 2.304 50 1 GEGF O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCl)CC2)c2ccccc21 22940160 RRPDKZUBFMKHQR-UHFFFAOYSA-N 399.882 2.168 50 1 GEGF C=C1C(=O)O[C@@H]2CC(C=O)=CC[C@@H](OC(C)=O)C(COC(=O)C(C)C)=CC[C@@H]12 2356681865 IUELPJDSUREOCQ-IPMKNSEASA-N 390.432 2.451 50 1 GEGF NNC(=O)Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587879721 GMADCSFFOZZRHL-UHFFFAOYSA-N 390.270 2.236 50 1 GEGF CCCc1c(O)ccc2c1O[C@]1(C=C(COC(=O)CCl)OCC1=O)CC2=O 587459372 IDHZJZSQKQQTNW-LJQANCHMSA-N 394.807 2.314 50 1 GEGF CCC=CC1=C(C[C@H](CC)CC2=C(CCC(=O)O)C(=O)OC2=O)C(=O)OC1=O 2356528871 LESRNXLJDKOYNX-NSHDSACASA-N 390.388 2.384 50 1 GEGF C=C(C)[C@@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@](=O)N1)c1ccc(C)s1 2356704846 KAWASQKGKXTGFL-RXAIFQJESA-N 399.501 2.191 50 1 GEGF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3cc4c(cc3Cl)OOC4)c2n1 43511469 QNXBUAVCWGUJRY-UHFFFAOYSA-N 390.831 2.440 50 1 GEGF COc1nc2ccccc2cc1[C@H]1[C@H](Cl)C(=O)N1NC(=O)c1ccncc1 1772645755 HUZUQMCIJHBAOY-HOTGVXAUSA-N 382.807 2.474 50 1 GEGF COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C(=O)NO)cc1 95808408 MVHRNMZVUBWCPP-GIJQJNRQSA-N 392.209 2.341 50 1 GEGF COc1nc(Nc2ccc(C)cc2)nc([N+]23CC[N+](CCCl)(CC2)CC3)n1 1857775175 FNDJJZXGOKKYJG-UHFFFAOYSA-N 390.919 2.322 50 1 GEGF C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CC[N@@+]4(CCl)CC=C(COC(=O)[C@@]1(C)O2)[C@@H]34 2356392925 UIBOCRJJYNMZLO-DCFOCBIHSA-N 384.880 2.144 50 1 GEGF Cc1ccnc2c1CCN[C@@]21C(C=O)=C(N)Oc2ccc(Br)cc21 963084564 FAOUIEXMFMETLE-SFHVURJKSA-N 386.249 2.303 50 1 GEGF C/C(=N/NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)c1ccccn1 13154709 XPODSOLYNXBUSA-KQRQPNSISA-N 386.477 2.023 50 1 GEGF C=C1C(=O)O[C@H]2C/C(C=O)=C\C[C@H](OC(=O)C(C)C)/C(COC(C)=O)=C/C[C@H]12 238762508 OWXFOZMXVQMPQK-JIAAYUENSA-N 390.432 2.451 50 1 GEGF CN(C)CCN1C(=O)c2cccc3cc(NC(=O)NCCCl)cc(c23)C1=O 28712248 LKAIXNULLMPIEB-UHFFFAOYSA-N 388.855 2.358 50 1 GEGF [C-]#[N+]C(=C)[C@@](Cc1ccc(OC)cc1)([N+]#[C-])[C@@H]1C[C@@H](OC(=O)CO)CC[C@@H]1O 103233622 YAMUCRURRKYLSK-YOUFYPILSA-N 384.432 2.394 50 1 GEGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@H]1[C@@]2(C)[C@@H](O)CC[C@@]1(C)COC(C)=O 2356531668 HYXIZWTUHCHPMV-KDZJEDQYSA-N 392.492 2.064 50 1 GEGF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cc2N1 587122157 AEXRBUGKIFBYSL-JVXZTZIISA-N 379.346 2.337 50 1 GEGF COc1cc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)ccc1OC(C)=O 1772638784 HNGSOCYPRJEMKI-HYARGMPZSA-N 399.447 2.325 50 1 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2ccc(F)cc2F)cc(-n2cccn2)c1 1857554007 QYDYXTPFWQVQNS-UHFFFAOYSA-N 392.387 2.082 50 1 GEGF CN(CCCl)P(=O)(OCc1cnc([N+](=O)[O-])n1C)N(C)CCCl 29053724 JEMBATDROBUQCT-UHFFFAOYSA-N 388.192 2.294 50 1 GEGF O=NN(CCCl)C(=O)N[C@H]1CC[C@@H](NC(=O)N(CCCl)N=O)CC1 169319038 NLVXTJQYQLAKKJ-MGCOHNPYSA-N 383.236 2.161 50 1 GEGF O=C(CBr)NCCc1nc2c(Br)cnc(Cl)c2[nH]1 586971814 ZHIGEVODUSTUHB-UHFFFAOYSA-N 396.470 2.427 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(C)c(OC)c1 618007555 ADYAJKKFCQHQBD-AWEZNQCLSA-N 386.539 2.218 50 1 GEGF CCCCOc1cc(B(O)O)cc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963612593 SSDRIVYBVOUGJS-FPTDNZKUSA-N 399.296 2.186 50 1 GEGF CN(C)C(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 5549496 SQGIRROXWOTGHD-UHFFFAOYSA-N 379.200 2.489 50 1 GEGF COc1cccc2c(=O)c3c(O)cc4c(c3oc12)[C@@H]1OC[C@](O)(CCl)[C@@H]1O4 28470437 LVJMWPNSGCTYME-IPMKNSEASA-N 390.775 2.463 50 1 GEGF C[C@@H](C(=O)NCCCSSCCN(C)C)N1C(=O)c2ccccc2C1=O 618009023 PAGVIDSCFKZHQS-ZDUSSCGKSA-N 395.550 2.120 50 1 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2cc(F)cn2)c1 1857582308 UNMZAHVTHHPJGH-UHFFFAOYSA-N 392.387 2.082 50 1 GEGF C=C1C[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]1OO 2356747195 WLZFLEFYOXJHBL-MDMSPXHWSA-N 378.421 2.478 50 1 GEGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CCl)(c3cnc(O)[nH]3)N12 962671436 RKKFQCTYMLQXEK-RTBURBONSA-N 386.839 2.245 50 1 GEGF N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCCN2CCOCC2)cc1 1911585536 CKBYHRUUVKOLSB-OAQYLSRUSA-N 393.443 2.321 50 1 GEGF C=C(NNC(=O)CC#N)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587750058 RGNYMYBEDZVUFH-JDNHERCYSA-N 381.249 2.386 50 1 GEGF CO[C@]12C=C[C@@]3(C[C@@H]1N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 100706400 NVMMSQRFUQJVRL-QYUJZOPQSA-N 382.485 2.468 50 1 GEGF COc1cc2c(cc1OC)[C@@H]1[C@H](C)C(=NNC(N)=O)C3=C(CCCC3=O)N1CC2 2356727760 SSWXYDNWTFYCBC-GIPWTMENSA-N 398.463 2.284 50 1 GEGF CS(=O)(=O)c1ccc(CO[P@@](N)(=O)N(CCCl)CCCl)cc1 6425067 YKHZULXNYWCKNE-OAQYLSRUSA-N 389.241 2.453 50 1 GEGF NC(=O)[C@H](Cc1ccc(OC(=O)CCl)cc1)NC(=O)OCc1ccccc1 27109150 MBBIMMYWRATZKX-INIZCTEOSA-N 390.823 2.154 50 1 GEGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(CC(N)=O)c1C)[C@@H](C2)C3=O 587417714 OYJOCIFLTYUUMR-MGPUTAFESA-N 388.851 2.481 50 1 GEGF CC1(C)C(=O)[C@H](O)[C@@H]2O[C@@]2(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 2356793829 KSYAFSNQMRYMMK-XLPWMVHYSA-N 381.694 2.016 50 1 GEGF C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](C)c3ccc4c(cnn4C)c3)n2n1 96169183 BYKXIUSYSBDUTB-FNMOKXMESA-N 376.424 2.160 50 1 GEGF COC1=CC(=O)[C@@]2(C1)[C@@H](Cl)C[C@@]13C(OC)=C(OC)C(=O)C[C@@]21CCN3C 13308006 PXTPGGRVOOOTDS-NOENWEJRSA-N 381.856 2.025 50 1 GEGF Cc1cccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2ccccc2)c1 195467315 XEVSTKULULWHLK-UXHICEINSA-N 396.296 2.399 50 1 GEGF C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@](C)(O)CCl)=C/C[C@H]12 238780148 DTWOPKMGYSYHJE-ICYYJJMTSA-N 384.856 2.036 50 1 GEGF CC(C)(NC(=O)CCl)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587009350 BBXRPXWJZZMEQY-UHFFFAOYSA-N 383.779 2.447 50 1 GEGF CC1=NN(c2ccc(C(=O)NCCSSCCN(C)C)cc2)C(=O)C1 618008407 ZYBWHHSRYKBXQR-UHFFFAOYSA-N 380.539 2.472 50 1 GEGF CN(C)CCSSCCNC(=O)[C@@H]1CCC(=O)N1Cc1ccc(F)cc1 618008213 BZDCAYHVLMERJP-INIZCTEOSA-N 399.557 2.376 50 1 GEGF COc1ccc(Br)c(/C=N/NC(=O)c2cccc(C(=O)NO)c2)c1 95808829 MANCCHYERQFLGD-GIJQJNRQSA-N 392.209 2.341 50 1 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2cccc(C)c2F)cc(-n2cccn2)c1 1857618088 ZKJKLIXSBWZAQA-UHFFFAOYSA-N 388.424 2.252 50 1 GEGF Cc1cn([C@H]2CC[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)O)c1=O 170171231 GBBNUHANHSBJTJ-ZIAGYGMSSA-N 398.532 2.102 50 1 GEGF CC[C@@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@](=O)N1)c1cc(C(C)C)co1 2356705022 RHXDKQWFQCQYRO-GMYLUUGSSA-N 399.476 2.372 50 1 GEGF C/C(=N\NC(=O)CN[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cc(O)ccc1O 1857644794 MCTJKUGHWYLSIZ-JJUHCDQJSA-N 375.375 2.362 50 1 GEGF O=C(c1cc(N(CCCl)CCCl)ccc1[N+](=O)[O-])N1CCOCC1 26968479 BSOWRFWVDCIWJG-UHFFFAOYSA-N 376.240 2.351 50 1 GEGF O=C(CSc1nc2ccccc2s1)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O 13122490 LLGQLHFYMCSBMV-CSKARUKUSA-N 388.430 2.193 50 3 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ncccn2)c1 1857542952 QORMSQKMFQXSEN-UHFFFAOYSA-N 386.408 2.214 50 1 GEGF O=C(N/N=C/c1ccccc1O)c1nnc(O)c2nc(-c3ccccc3)ncc12 1911571822 ANZTVLSJKFTWIA-LSHDLFTRSA-N 386.371 2.262 50 1 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC(C)C)C=C(C)[C@]1(O)C[C@H](Cl)[C@@](C)(O)[C@@H]21 2356439745 BRCXFZCYUXDGDA-SQULURBQSA-N 398.883 2.111 50 1 GEGF COc1ccc(C(=O)NCC(=O)NN/C=C2\C(C)=Nc3ccccc32)cc1OC 104004882 VXCBZLSHBWJREE-LFIBNONCSA-N 394.431 2.202 50 3 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc2[nH]ccc2c1 618007722 GDUHVJNEBUPDID-HNNXBMFYSA-N 381.523 2.382 50 1 GEGF CC1(C)C(=O)[C@H](O)[C@H]2O[C@]2(C)[C@@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2O 2356793826 KSYAFSNQMRYMMK-VCIFSISBSA-N 381.694 2.016 50 1 GEGF NNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1O 587883012 RVCFIFGKMJPIJR-UHFFFAOYSA-N 392.242 2.013 50 1 GEGF CCOC(=O)C[C@@H](Br)[C@]1(C)N[C@H](C(=O)O)Cc2cc(F)ccc21 962917447 HBFOZOFQXZWJIL-WOSRLPQWSA-N 388.233 2.357 50 1 GEGF C=C1C(=O)O[C@@H]2C(O)=C(CO)CCC=C(C=O)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356418581 OJQBJJJMYHMXPS-RYRKJORJSA-N 376.405 2.076 50 1 GEGF CCOc1ccccc1[C@](N)(c1nc2ccc(C(=O)NN)cc2[nH]1)C(F)(F)F 587092471 NJYPJGLMUNUKDO-KRWDZBQOSA-N 393.369 2.330 50 1 GEGF C/C(=N\NC(=O)Cn1c(=O)c(C)nc2ccccc21)c1ccc([N+](=O)[O-])cc1 207939365 TYRMXGVKXCIBNK-CIAFOILYSA-N 379.376 2.154 50 1 GEGF CCOC(=O)C(C#N)=C(N)c1cc2cc(Br)cc(OC)c2oc1=O 2356308583 GNIQRFFPXGQTAI-UHFFFAOYSA-N 393.193 2.321 50 1 GEGF O=C(COc1cccc2cccnc12)N/N=C1\SCC(=O)N1Cc1ccco1 12712134 NIKWLMJKHSYFDH-QOCHGBHMSA-N 396.428 2.369 50 3 GEGF COc1ccc(C(=O)CCC(=O)NNC(=O)Cn2c(C)nc3ccccc32)cc1 653830215 KOGGLEPQLKUPHJ-UHFFFAOYSA-N 394.431 2.164 50 1 GEGF CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CCC(C)C)[C@@]2(CO2)C[C@H]1OC(=O)NC(=O)CCl 28468389 UOIKTJXSROKAJD-YBDPIZBOSA-N 389.876 2.244 50 1 GEGF Cc1ccn(-c2cc(C)c(F)c(C(=O)NNS(=O)(=O)c3ccccc3)c2)n1 1857582199 YTAZYASFLLTLPW-UHFFFAOYSA-N 388.424 2.252 50 1 GEGF COc1cc(/C=N/NC(=O)/C=C/c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1O 84709352 RMHICHDMNOFLSA-WSJMPXRGSA-N 385.332 2.201 50 1 GEGF O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)CBr)[C@@H]23 169338726 GPJOGVNSXJWSBL-WBOJAVRRSA-N 387.318 2.338 50 1 GEGF C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@](C)(O)CCl)=C\C[C@H]12 238787412 DTWOPKMGYSYHJE-OHTJQJEFSA-N 384.856 2.036 50 1 GEGF Oc1ccc2c3c1O[C@H]1[C@@H](N=C=S)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 28239466 XQAHUROKJRFJST-LAKPAKELSA-N 384.501 2.428 50 1 GEGF CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/NC(=O)CCCCCCC(=O)NO 95809750 OFUWXPNBWGAEGD-ITRAFESCSA-N 384.477 2.334 50 1 GEGF C[C@@H]1CC[C@H]2[C@@H](CN3C(=O)CSC3=O)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101871369 WQOAYDQPYWWGCY-MUSAQVOLSA-N 397.449 2.070 50 1 GEGF C/C(=N\NC(N)=O)c1ccc2ncc([C@H](C)c3ccc4c(cnn4C)c3)n2n1 96169184 BYKXIUSYSBDUTB-QWKGEVNMSA-N 376.424 2.160 50 1 GEGF NNC(=O)c1cccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587657521 YVHNNJMIFMAKEF-UHFFFAOYSA-N 393.353 2.329 50 1 GEGF CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)N[C@H](C)Cc2c(OC)ccc(OC)c21 963608409 LEEXZPDVYFFNTB-DQNAHFDYSA-N 399.871 2.167 50 1 GEGF CC1(C)O[C@@H]2O[C@@H]3CO[P@](=O)(N(CCCl)CCCl)O[C@@H]3[C@H]2O1 299814110 YSYRTTLOJUVIIT-OGVBBNCJSA-N 376.173 2.166 50 1 GEGF N#Cc1ccc(/C=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)cc1 73168042 SIGNSDFOBXJPLK-AUEPDCJTSA-N 391.456 2.359 50 1 GEGF COc1ccc(OC)c(/C=N/NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1 675824 DCFXOUUTEMVCFV-UFWORHAWSA-N 399.363 2.214 50 3 GEGF CN1C(=O)[C@@H](C(=N)NNC(=O)c2ccc(F)cc2)[C@H]2C[C@@]1(C)Oc1ccccc12 299855455 BCFDQSLLTALEOU-LUQKVYGDSA-N 396.422 2.408 50 1 GEGF CCCCOc1cc(B(O)O)cc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)c1 963612595 SSDRIVYBVOUGJS-PEBXRYMYSA-N 399.296 2.186 50 1 GEGF C=C1CCC2=C(COC(C)=O)C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)C[C@H]1OO 2356472382 VPUUNRFILDDXAY-RCCFBDPRSA-N 380.393 2.248 50 1 GEGF Cc1cn([C@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)O)c1=O 170171226 GBBNUHANHSBJTJ-UONOGXRCSA-N 398.532 2.102 50 1 GEGF C=C1C(=O)O[C@H]2C=C(C)[C@@H](OC(C)=O)C[C@@H](OO)C(=C)[C@H](OC(C)=O)C[C@@H]12 2356456614 LJBFGHFUPPDUOI-AVEIZBFRSA-N 380.393 2.102 50 1 GEGF COc1cccc2cc(C(=O)NNC(=O)c3cc(Cl)ccc3O)c(=O)oc12 1857546455 VVUOTOLDTAJLLK-UHFFFAOYSA-N 388.763 2.235 50 1 GEGF Cc1cn([C@@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)O)c1=O 170171222 GBBNUHANHSBJTJ-KBPBESRZSA-N 398.532 2.102 50 1 GEGF CN1C(C(=O)N/N=C/c2ccc(Cl)cc2)=C(O)c2ccccc2S1(=O)=O 1857746331 ZRZJUEZCGWKRKZ-VXLYETTFSA-N 391.836 2.351 50 1 GEGF O=C(N/N=C/c1cccc(Cl)c1)C1=C(O)c2ccccc2S(=O)(=O)N1 40403941 VEQHJEIRCVRBLK-GIJQJNRQSA-N 377.809 2.009 50 1 GEGF Cc1ccc(CN2CCN(CC(=O)NN/C=C3\C=Nc4ccccc43)CC2)cc1 22939554 BFENFMVAMOHPBZ-HMMYKYKNSA-N 389.503 2.490 50 3 GEGF O=C(N/N=C/c1ccc(Cl)cc1)C1=C(O)c2ccccc2S(=O)(=O)N1 101610980 MERHWJXKNYWSPI-GIJQJNRQSA-N 377.809 2.009 50 1 GEGF NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccco1 473135384 OMVFMNKSGDKVJB-PKOBYXMFSA-N 376.416 2.447 50 1 GEGF NNC(=O)c1cc(F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587893741 AYVWXPVELXZDNG-UHFFFAOYSA-N 394.233 2.446 50 1 GEGF CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccco1 1660592 YPKRLWWSVLCTLX-HOTGVXAUSA-N 391.811 2.472 50 1 GEGF Nc1nonc1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 13152001 ACEZKYRNEPSQAI-FXBPXSCXSA-N 375.728 2.027 50 1 GEGF O=C(NO)c1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 95809309 GANDZHCXFAEHHB-CAOOACKPSA-N 378.182 2.038 50 1 GEGF CC1(C)O[C@@H]2O[C@@H]3CO[P@](=O)(N(CCCl)CCCl)O[C@H]3[C@H]2O1 299814108 YSYRTTLOJUVIIT-DZLJAZGESA-N 376.173 2.166 50 1 GEGF C=C(CCl)[C@@H]1CCC2=C[C@@]3(C[C@@](C)(O)CC(=O)[C@@H](O3)[C@H](C)C(=O)C1)OC2=O 2356797235 NRIOYMSXKGPKOS-TWOLOYTPSA-N 396.867 2.465 50 1 GEGF C=C1CCC2=C(COC(C)=O)C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)C[C@H]1OO 2356472380 VPUUNRFILDDXAY-KZNAEPCWSA-N 380.393 2.248 50 1 GEGF NNC(=O)CNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43080776 OREZGLWZMRBYGG-UHFFFAOYSA-N 378.476 2.422 50 1 GEGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2C=C(C)CCC=C(C=O)[C@H]1OC(C)=O 2356759104 JIMSBDGKOARPQW-OKYOBFRVSA-N 388.416 2.369 50 1 GEGF COc1ccc(/C=N/NC(=O)CN[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c(O)c1 1857758911 QRPKRIBNVANEOZ-RGOAUWMISA-N 375.375 2.275 50 1 GEGF [C-]#[N+][C@@]12C(=O)[C@@H]3[C@@H](O[C@@]4(C(=O)N(C)c5cccc1c54)C3(C)C)C(=O)[C@@]2(C)C=C 198867223 UIYNCSYDIUPTBP-VQKSPFJLSA-N 376.412 2.372 50 1 GEGF O=C1COCCN1c1ccc(Nc2nc(Cl)nc(OCCCl)n2)cc1 1857749766 QJZLPGFGEBIQRX-UHFFFAOYSA-N 384.223 2.249 50 1 GEGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]2Cl 587497680 FOTTVEPKBHUTCM-ULFGMLNVSA-N 381.211 2.205 50 1 GEGF O=C(N1CCOCC1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 44018520 QCBWSAZEKFSFMD-UHFFFAOYSA-N 378.469 2.362 50 1 GEGF [C-]#[N+]C(=C)[C@@](Cc1ccc(OC)cc1)([N+]#[C-])[C@H]1C[C@@H](OC(=O)CO)CC[C@@H]1O 103233624 YAMUCRURRKYLSK-VNYTWHDVSA-N 384.432 2.394 50 1 GEGF Cc1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)[n+]([O-])cn1Cc1ccccc1 96922807 HGHAIHIPEZSNTH-LPYMAVHISA-N 377.448 2.308 50 1 GEGF COc1cccc(OC)c1/C=C/C(=O)NC(=S)NNC(=O)c1cccs1 217491152 OESSXXGCHGLPSN-CMDGGOBGSA-N 391.474 2.114 50 1 GEGF COC1=C/C(=C(\C)NNC(=O)CSc2nc3ccccc3n2C)C=CC1=O 13119171 ORKGQMPGKJFZJW-OUKQBFOZSA-N 384.461 2.229 50 3 GEGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCS(=O)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169324578 BBPBTLRSPNSDTE-NQWKWHCYSA-N 385.526 2.259 50 1 GEGF CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1ccco1 1660594 YPKRLWWSVLCTLX-JKSUJKDBSA-N 391.811 2.472 50 1 GEGF CN1C(C(=O)N/N=C/c2cccc(Cl)c2)=C(O)c2ccccc2S1(=O)=O 1857749508 SXAAKBXCKKYMQL-VXLYETTFSA-N 391.836 2.351 50 1 GEGF COc1ccc(Br)c(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)c1 95808583 RLKAJMJUZBWERL-GIJQJNRQSA-N 392.209 2.341 50 1 GEGF COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)cc(OC)c1 84704162 KNOJXYRWHPRCIU-MRUVXERFSA-N 386.404 2.313 50 1 GEGF CCOc1cc(NC(C)=O)ccc1C(=O)NNC(=O)c1ccccc1OC(C)=O 1660577 RZOGGGZUALLDHU-UHFFFAOYSA-N 399.403 2.044 50 1 GEGF O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccccc1 29563354 WIGFCTLTFKZRLH-MRXNPFEDSA-N 399.451 2.210 50 1 GEGF NCC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43064177 SGKSNGISINMRPK-UHFFFAOYSA-N 378.476 2.422 50 1 GEGF CS(=O)(=O)N1CCc2cc([C@]3(CCl)NCCc4ccc(O)cc43)ccc21 963340022 DYSRALGGOKWVIL-IBGZPJMESA-N 392.908 2.342 50 1 GEGF O=C1C=CC(=CNNC(=O)CCC(=O)Nc2ccc(Br)cc2)C=C1 13120315 KFOGXNAUFWSCMM-UHFFFAOYSA-N 390.237 2.368 50 3 GEGF Cc1ccc(S(=O)(=O)NCCC(=O)NN/C=C2\C=Nc3ccccc32)cc1 8844676 GWXGZSHKQINLIA-FYWRMAATSA-N 384.461 2.041 50 1 GEGF Nc1nc(OC2CCC(Cl)CC2)nc2c1c(=O)ccn2[C@H]1CCC[C@@H]1O 84671083 NDDBSZZJBIPYKO-TYUFSLCMSA-N 378.860 2.388 50 1 GEGF C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@](C)(O)CCl)=C/C[C@@H]12 238754067 DTWOPKMGYSYHJE-AVRGLLEBSA-N 384.856 2.036 50 1 GEGF C=C(NNC(=O)CC#N)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587749352 OIOUYYGZYVFJOC-ABKXIKBNSA-N 381.249 2.386 50 1 GEGF CO[C@]1([C@@H]2[C@H](O)C=C(CCC(C=O)=C(C)C)C(=O)OC2(C)C)C=C(C)C(=O)O1 13384193 DRGJVXACADCLMU-CBGDNZLLSA-N 392.448 2.387 50 1 GEGF biogenic O=C(O)C[C@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccccc1 29562851 CGJMXATZBNODMJ-KRWDZBQOSA-N 398.463 2.460 50 1 GEGF CC(C)(C)c1ccc(Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O)cc1 263620280 BNGBOJVHKLUMFE-CMDGGOBGSA-N 381.432 2.372 50 1 GEGF in-vitro C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cc2N1 587122151 AEXRBUGKIFBYSL-JMCQJSRRSA-N 379.346 2.337 50 1 GEGF NCCSSCCCC(=O)n1c(=O)n(C2CCNCC2)c2ccccc21 618007666 KMVVHOIUCBUIOT-UHFFFAOYSA-N 394.566 2.488 50 1 GEGF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2=O)cc1N 141006890 HXFTZYVOCRNCDP-UHFFFAOYSA-N 385.372 2.297 50 1 GEGF CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@@]34C[C@H]5O[C@H]6C[C@@]1([C@@H](O6)O3)[C@@]24[C@@H]5Br 169298521 SRTUEDAYELDUGN-PVPZVAJTSA-N 385.254 2.358 50 1 GEGF Oc1ccc2c3c1O[C@H]1[C@@H](N=C=S)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 101480296 XQAHUROKJRFJST-ZKIXWNMNSA-N 384.501 2.428 50 1 GEGF C=C(CCl)[C@@H]1CCC2=C[C@@]3(C[C@@](C)(O)CC(=O)[C@@H](O3)[C@@H](C)C(=O)C1)OC2=O 2356797232 NRIOYMSXKGPKOS-DAIXNMQDSA-N 396.867 2.465 50 1 GEGF O=C(CSCC(=O)N/N=C\c1ccccc1F)N/N=C\c1ccccc1F 38807590 CWBVQYFHHLGLJL-KGIZCEIGSA-N 390.415 2.298 50 1 GEGF CC(=O)N[C@H](Cc1ccc(C)c(C)c1)C(=O)NCCSSCCN(C)C 618008298 XPJIUDMMYNDSOF-GOSISDBHSA-N 397.610 2.410 50 1 GEGF NNC(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587168890 QTZJQTBLRFICDP-UHFFFAOYSA-N 377.383 2.431 50 1 GEGF CN1C(=O)[C@H](C(=N)NNC(=O)c2ccc(F)cc2)[C@H]2C[C@@]1(C)Oc1ccccc12 299855453 BCFDQSLLTALEOU-HZUJVAHNSA-N 396.422 2.408 50 1 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)C=C(C)[C@]1(O)C[C@H](Cl)[C@@](C)(O)[C@H]21 2356397491 NTSCRVXVXUXXKN-XELPMLETSA-N 398.883 2.111 50 1 GEGF Cc1ccc2nc(C)n(NC(=O)/C(C#N)=C/c3ccc(O)c(O)c3)c(=O)c2c1 84653604 FOHAFJPXBXGINE-RIYZIHGNSA-N 376.372 2.102 50 1 GEGF CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C\C(Br)=C\c1ccccc1 100151800 MHUOAYOZMGSCLN-REFSUBEZSA-N 377.242 2.427 50 1 GEGF C=CC[C@]1(O)C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195513772 UBGWTWUGHWCZRU-CLCXKQKWSA-N 396.560 2.462 50 1 GEGF N#C/C(=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC1CCC(N)CC1 13555137 ZPNBQEDEANVIRN-FCQITHMZSA-N 380.492 2.218 50 1 GEGF COc1cc(C=NNC(=O)C(=O)Nc2cccc(Cl)c2)cc(OC)c1O 254103626 VEKSMSXVPDRSAR-UHFFFAOYSA-N 377.784 2.152 50 1 GEGF O=C(O)CCC[C@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)CBr)[C@@H]23 72182628 GPJOGVNSXJWSBL-LOUJCGABSA-N 387.318 2.338 50 1 GEGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C(=O)OCCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100756300 STDCFPSMNWMLAD-QTOXSDDTSA-N 384.425 2.255 50 1 GEGF CCCc1c(O)ccc2c1O[C@]1(COC(COC(=O)CCl)=CC1=O)CC2=O 587461158 PYKDLNHEKNGLED-IBGZPJMESA-N 394.807 2.314 50 1 GEGF CO[C@]12C=C[C@@]3(C[C@@H]1N=C=S)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1C)[C@H]2O5 29338803 NVMMSQRFUQJVRL-QLALSXEDSA-N 382.485 2.468 50 1 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2cc(C)cn2)c1 1857538916 PHYXKPCOGABCJP-UHFFFAOYSA-N 388.424 2.252 50 1 GEGF CCCOc1c(B(O)O)cc(C)cc1[C@H]1NCCc2c(OC)ccc(Cl)c21 963257443 KHCZNXUWLVRVEW-LJQANCHMSA-N 389.688 2.361 50 1 GEGF N[C@H](CC1CCCCC1)[C@H](O)C(=O)NNC(=O)c1cc(Cl)ccc1Cl 27994460 QYKRRNAFRJKIPQ-CABCVRRESA-N 388.295 2.413 50 1 GEGF CC1=C2C=C[C@](C)(O)CC=C[C@](C)(OO)CCC[C@@H](C)C(=O)[C@@]2(O)OC1=O 2356658387 QTKBFSVJJYCYJS-AQWZQNETSA-N 380.437 2.439 50 1 GEGF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCSCCC(=O)NN 587872654 PSSSYZFTEFDFLT-UHFFFAOYSA-N 380.445 2.231 50 1 GEGF CCCc1c(O)ccc2c1O[C@@]1(COC(COC(=O)CCl)=CC1=O)CC2=O 587461159 PYKDLNHEKNGLED-LJQANCHMSA-N 394.807 2.314 50 1 GEGF COc1ccc(Cl)cc1C#Cc1c(C(F)(F)F)nn(CC(=O)NN)c1C 587914382 CYYLQWXYWYZZEL-UHFFFAOYSA-N 386.761 2.262 50 1 GEGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(B(O)O)cc1)C1CCCC1 963634578 KPFFTTYLZULCRP-WNSKOXEYSA-N 395.308 2.352 50 1 GEGF O=C(NNC(=O)[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1cccs1)c1ccncc1 473088608 IUAROPPGQAPQKD-SJORKVTESA-N 392.440 2.308 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(F)ccc1F 618007583 AZHPKFOAOLPYLW-ZDUSSCGKSA-N 378.466 2.179 50 1 GEGF C=C1C(=O)O[C@@H]2CC(CO)=CCCC(COC(=O)[C@@](C)(O)CCl)=CC[C@H]12 2356588719 DTWOPKMGYSYHJE-MDZRGWNJSA-N 384.856 2.036 50 1 GEGF COC1=C/C(=C(\C)NNC(=O)C(O)(c2ccccc2)c2ccccc2)C=CC1=O 13130291 NJAVJHTZKXNJJY-WUKNDPDISA-N 390.439 2.487 50 3 GEGF C[C@H](C(=O)N/N=C1\C(=O)Nc2ccc(C#CCN(C)C)cc21)c1ccc(F)cc1 72178293 AKTRAHHCDLJHQZ-AWEZNQCLSA-N 392.434 2.315 50 1 GEGF O=C(NN/C=C1\N=c2ccccc2=C1Cl)c1cccc(Br)c1 13122544 QUHZXYIYEBAYNU-ZROIWOOFSA-N 376.641 2.205 50 3 GEGF COc1cc([C@@H]2[C@H]3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)cc2c1OCO2 169691471 VCJRJLYGAUAEGW-MAUKXSAKSA-N 389.415 2.346 50 1 GEGF COc1ccc(/C=C2\SC(=O)N(CNNC(=O)c3ccncc3)C2=O)cc1 205992795 JIDMIHFZXLMEAJ-GDNBJRDFSA-N 384.417 2.019 50 1 GEGF CN(C)CCSSCCn1cc(CN2C(=O)c3ccccc3C2=O)nn1 618012523 MHLWESMVGBXZHH-UHFFFAOYSA-N 391.522 2.017 50 1 GEGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(N)=O)cccc2-3)cc1 3942133 RARMSLXADQESJT-UHFFFAOYSA-N 392.375 2.002 50 1 GEGF CC(=O)NNc1nc(C)c(C(/C=C/c2ccc(Cl)cc2)=N\NC(=N)N)s1 17211335 FCVGFSZCXYXBBM-IPVGOPCVSA-N 391.888 2.468 50 1 GEGF COC(=O)N/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 96169185 IHDCXAAYKPVJBE-AUEPDCJTSA-N 394.370 2.037 50 1 GEGF C=C1C(=O)O[C@@H]2CC(C=O)=CC[C@@H](OC(=O)C(C)C)C(COC(C)=O)=CC[C@@H]12 2356540186 OWXFOZMXVQMPQK-IPMKNSEASA-N 390.432 2.451 50 1 GEGF Oc1ccc2c3c1O[C@H]1[C@H](N=C=S)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100769542 XQAHUROKJRFJST-WWLPJLAXSA-N 384.501 2.428 50 1 GEGF C=C1C(=O)O[C@@H]2C[C@](C)(OO)C[C@H](OC(C)=O)C=C(C)[C@H](OC(C)=O)C[C@H]12 2356387378 QSTVRQLWSFTDDH-VYIWNADRSA-N 382.409 2.326 50 1 GEGF O=C(NCCCN1CCOCC1)c1ccc(N(CCCl)CCCl)cc1 49745742 ZINSNBBECNZPOC-UHFFFAOYSA-N 388.339 2.423 50 1 GEGF Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)[n+]([O-])cn1Cc1ccccc1 96922810 PTGPHQRUWGYPEM-RGVLZGJSSA-N 379.376 2.150 50 1 GEGF C=C(NNC(=O)CC#N)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587750055 RGNYMYBEDZVUFH-ABKXIKBNSA-N 381.249 2.386 50 1 GEGF Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1ccnc(CCl)n1 587941185 RTUUSAAKMKUARU-UHFFFAOYSA-N 378.776 2.204 50 1 GEGF CC1=Nc2ccccc2/C1=C/NNC(=O)CNC(=O)COc1cccc(C)c1 13119323 YFXOHRZVVAQHST-WOJGMQOQSA-N 378.432 2.258 50 3 GEGF CCOC(=O)/C(N=O)=C(\C)NNC(=O)C(=O)Nc1cc(Cl)ccc1Cl 15952618 IDKNSDBDVRKYHE-XFFZJAGNSA-N 389.195 2.114 50 3 GEGF C[C@@H]1C[C@]2(C)CC(=O)O[C@@H]3CC[N+]4(CCl)CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 197879615 UIBOCRJJYNMZLO-SSTLWKPWSA-N 384.880 2.144 50 1 GEGF N#C/C(=C(/O)CN1C(=O)c2ccccc2S1(=O)=O)c1nc2ccccc2[nH]1 618014694 XLISFRUBJFFWRZ-QINSGFPZSA-N 380.385 2.200 50 1 GEGF CCCc1c(O)ccc2c1O[C@@]1(C=C(COC(=O)CCl)OCC1=O)CC2=O 587459364 IDHZJZSQKQQTNW-IBGZPJMESA-N 394.807 2.314 50 1 GEGF N#CC1=C(N)[C@H]2[C@H](C=C1N)Oc1ccc(Br)cc1[C@@H]2C(C#N)C#N 101006177 VLWXXDRFTJHVAG-JYJNAYRXSA-N 382.221 2.166 50 1 GEGF CCC=CC1=C(C[C@@H](CC)CC2=C(CCC(=O)O)C(=O)OC2=O)C(=O)OC1=O 2356528870 LESRNXLJDKOYNX-LLVKDONJSA-N 390.388 2.384 50 1 GEGF C[C@H]1CCC[C@@H](C)N1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1 13825568 BGUNJPMNAQNPJN-CALCHBBNSA-N 382.512 2.296 50 1 GEGF C[C@]1(c2cccc(N=C=S)c2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963215622 BWPNRZHMJSHYDI-FTRWYGJKSA-N 393.472 2.165 50 1 GEGF O=[P@@]1(NCCBr)OCC[C@H](OO)N1CCBr 169319593 SGUQUUFCWPFQBF-GYKQLYQFSA-N 381.989 2.012 50 1 GEGF NNC(=O)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144998 UIGZOQRBPFKEDB-LBPRGKRZSA-N 392.232 2.311 50 1 GEGF Cc1cn([C@@H]2CC[C@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)O)c1=O 170171229 GBBNUHANHSBJTJ-KGLIPLIRSA-N 398.532 2.102 50 1 GEGF O=C(CBr)NCCc1nc2ccc(Br)c(O)c2[nH]1 586971378 RLLRSMHWPFGBME-UHFFFAOYSA-N 377.036 2.085 50 1 GEGF C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@](C)(O)CCl)=C/C[C@H]12 238787410 DTWOPKMGYSYHJE-IZNZRLLASA-N 384.856 2.036 50 1 GEGF Cc1cc(C)c2c(c1)C(=NNC(=O)COc1ccc3ccc(=O)oc3c1)C(=O)N2 1857534964 QQJYAJICRDXREP-UHFFFAOYSA-N 391.383 2.261 50 1 GEGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccoc2)CC1 618009218 UFXRJBVSCGTMIX-UHFFFAOYSA-N 385.555 2.191 50 1 GEGF NNC(=O)c1ccc(OCCC2CCN(c3ccc(Cl)nn3)CC2)cc1 3618074 FBLOMXYWHWRYEB-UHFFFAOYSA-N 375.860 2.419 50 1 GEGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccc(F)cc1F 71294803 QFBUGQIQFVINLW-AWQFTUOYSA-N 393.371 2.024 50 1 GEGF Cc1cc(S(N)(=O)=O)c(S[C@H](C(=O)NN)c2ccccc2)cc1Cl 45497803 YAXQKRHKGIYQHU-AWEZNQCLSA-N 385.898 2.119 50 1 GEGF Cc1ccc(S(=O)(=O)NNC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1 68573187 YMDCGFZZBAZXMR-UHFFFAOYSA-N 378.294 2.435 50 1 GEGF biogenic CN(C)CCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)NO)cc1 95809355 DSEUAFBYWDMGIR-LTGZKZEYSA-N 392.500 2.313 50 1 GEGF CC(=O)Nc1ccc(Cl)cc1C(F)(F)C(=O)NNC(=O)c1ccncc1 1857645626 SYSATOUMOVZRBK-UHFFFAOYSA-N 382.754 2.246 50 1 GEGF C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CC[N@@+]4(CCl)CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 2356392924 UIBOCRJJYNMZLO-BYWWEIFOSA-N 384.880 2.144 50 1 GEGF O=C(NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccncc1 58502250 MHXAQLFSWSSQEY-UHFFFAOYSA-N 382.472 2.004 50 1 GEGF NNC(=O)c1ccc(F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 587894689 VVZAPIGVVICSGQ-UHFFFAOYSA-N 394.233 2.446 50 1 GEGF NNC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1454703 RNHZQACRAPQNPV-UHFFFAOYSA-N 383.795 2.150 50 3 GEGF O=C(CCl)N[C@H](Cc1ccco1)C(=O)Nc1ncc(Br)s1 38268053 NYXSKIPXKAFDCM-MRVPVSSYSA-N 392.662 2.403 50 1 GEGF COc1cc2c3c(c1)O[C@@](C)(c1ccc(O[C@H](C)C(=O)NN)cc1)[C@@H](C2)C3=O 587433803 WTFZRLAEQZIORJ-DBLBYYFGSA-N 382.416 2.115 50 1 GEGF COc1cc(/C=N/NC(=O)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1O 95577805 IRTVKZXOGTYFGT-GIJQJNRQSA-N 383.320 2.123 50 1 GEGF CC(C)(NC(=O)CCl)c1nc2cc(I)cnc2[nH]1 587010019 ZHEMJASHUSSKJA-UHFFFAOYSA-N 378.601 2.153 50 1 GEGF Cc1c(Br)ccc2c1/C(=N/NC(=O)Cc1ccc(O)cc1)C(=O)N2 72177875 IOGCUTYPMGKYFJ-UHFFFAOYSA-N 388.221 2.478 50 1 GEGF C=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@H]1[C@@]2(C)CC[C@H](O)[C@@]1(C)COC(C)=O 66258402 JZFWRUQOQHVXDM-UDTDVKRRSA-N 392.492 2.064 50 1 GEGF COc1ccccc1C=NNC(=O)c1nnn(Cc2ccccc2Cl)c1N 957591878 QJLADDMTQIAQLB-UHFFFAOYSA-N 384.827 2.335 50 1 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC(C)C)C=C(C)[C@]1(O)C[C@H](Cl)[C@](C)(O)[C@@H]21 2356439744 BRCXFZCYUXDGDA-DAWDXHEQSA-N 398.883 2.111 50 1 GEGF CC(=N\NC(=O)c1ccccc1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1 103230504 OCDRLANHZMQOFJ-JUYTWUFESA-N 393.856 2.104 50 1 GEGF O=C1CN(C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CCN1 169321481 GHWCOORQSBKYLO-UHFFFAOYSA-N 378.469 2.120 50 1 GEGF C[C@@]1(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC2(CCCCC2)OO1 49678797 RQERHAIDHUSWSQ-QGZVFWFLSA-N 382.482 2.154 50 1 GEGF O=C(Nc1ccc(F)cc1)c1ccc(SCCc2ccccc2B(O)O)nc1 198305882 TVANIYMHXPLFFL-UHFFFAOYSA-N 396.252 2.488 50 1 GEGF C=C1C(=O)O[C@H]2C[C@](C)(OO)C[C@@H](OC(C)=O)/C=C(/C)[C@@H](OC(C)=O)C[C@H]12 238779648 QSTVRQLWSFTDDH-QEQXPUCUSA-N 382.409 2.326 50 1 GEGF C=C[C@]1(C)C[C@H](OC(=O)C(=C)COC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O 653882863 MLZLTKSJSINXLC-NPGRCNIMSA-N 388.416 2.083 50 1 GEGF Cc1ccc(S(=O)(=O)OCCN[P@@]2(=O)OCCCN2CCCl)cc1 26387678 NQWGEQCBDKOLAC-HSZRJFAPSA-N 396.833 2.359 50 1 GEGF CC(=O)OCC1=C2C/C=C(/C)[C@@H](OO)C[C@H](OC(C)=O)/C(C)=C/[C@H]2OC1=O 238759829 ZWRRBFVVFRYDGA-XCUBJHMRSA-N 380.393 2.248 50 1 GEGF Cc1ccn(-c2cc(F)cc(C(=O)NNS(=O)(=O)c3ccccc3F)c2)n1 1857557459 LHSITODGOANROC-UHFFFAOYSA-N 392.387 2.082 50 1 GEGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(C(C)=O)s1 618007990 PJMWQUNFDGPNSN-NSHDSACASA-N 390.552 2.165 50 1 GEGF C/C(=N/NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1O 103228995 ACKVOYWJCCXEPI-ODLFYWEKSA-N 395.868 2.450 50 1 GEGF CC1=C2/C=C/[C@@](C)(O)C/C=C/[C@](C)(OO)CCC[C@H](C)C(=O)[C@@]2(O)OC1=O 238735846 QTKBFSVJJYCYJS-MIKMDMPBSA-N 380.437 2.439 50 1 GEGF COc1cc(/C=N\NC(=O)c2cccc3ccccc23)ccc1OCC(N)=O 33333080 IOBODUWMNLMMJR-FMCGGJTJSA-N 377.400 2.476 50 1 GEGF C=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@H]1[C@@]2(C)[C@@H](O)CC[C@@]1(C)COC(C)=O 66259167 HYXIZWTUHCHPMV-HQNQHPRXSA-N 392.492 2.064 50 1 GEGF CN(C)CCSSCCNC(=O)Nc1cccc(NS(C)(=O)=O)c1 618007787 IEYUDTLGHXRXDZ-UHFFFAOYSA-N 392.572 2.123 50 1 GEGF CN1C(=O)[C@@H](/C(N)=N\NC(=O)c2ccccc2)[C@@H]2C[C@@]1(C)Oc1ccccc12 17967687 JILXMXHTFNYEGT-QLVMHMETSA-N 378.432 2.059 50 1 GEGF O=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(OCC2CC2)c1 1857618105 CYDXUZBTSCPXFN-UHFFFAOYSA-N 382.388 2.377 50 1 GEGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(B(O)O)cc1)C1CCCC1 963634577 KPFFTTYLZULCRP-NPMXOYFQSA-N 395.308 2.352 50 1 GEGF C=C(C)[C@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@@](=O)N1)c1ccc(C)s1 2356704844 KAWASQKGKXTGFL-KUNJGFBQSA-N 399.501 2.191 50 1 GEGF CN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccnc3ccccc23)c1 201465605 GZLCHDPDVWMIKH-BKUYFWCQSA-N 382.445 2.249 50 3 GEGF CN(C)CCSSCCC(=O)Nc1cccc(NS(C)(=O)=O)c1 618007580 GMXAZVZONFZNAJ-UHFFFAOYSA-N 377.557 2.330 50 1 GEGF CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccc(Br)cc2)CC1(C)C 84654004 XXHNMVUVEKWCTH-INIZCTEOSA-N 398.257 2.125 50 1 GEGF C=CC[C@]1(O)C[C@@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195513770 UBGWTWUGHWCZRU-VCBZYWHSSA-N 396.560 2.462 50 1 GEGF CC/C(=N\NC(N)=O)c1ccc2ncc(Cc3cc4cnn(C)c4cc3F)n2n1 96169190 PNQSACWHCHWEDT-BUVRLJJBSA-N 394.414 2.128 50 1 GEGF CC(=N\NC(=O)c1cccs1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1 103230476 GCGTUMPVTTUHQY-CMMVIOQCSA-N 399.885 2.166 50 1 GEGF Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(C(C)C)cc2)o1 1857647510 XHHDBIHOBVBAIQ-UHFFFAOYSA-N 375.450 2.426 50 1 GEGF O=C(NN=Cc1cccc(Br)c1)[C@@H]1C=C(c2ccccc2)NNC1=O 957574185 JOLVHUFICYDNBG-HNNXBMFYSA-N 399.248 2.191 50 1 GEGF N#CC=C1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 95582383 BRZZZVAWNDFLLN-INIZCTEOSA-N 382.399 2.493 50 1 GEGF C=C1C(=O)O[C@@H]2C[C@](C)(OO)C[C@H](OC(C)=O)C=C(C)[C@H](OC(C)=O)C[C@@H]12 2356387376 QSTVRQLWSFTDDH-FSNPWBFUSA-N 382.409 2.326 50 1 GEGF O=C(/C=C1\NC2(CCCC2)Cc2ccccc21)C(=O)NN/C=C1\C=CC=CC1=O 100491603 XNUNXKZUDGYQMY-LKADAUFRSA-N 389.455 2.255 50 3 GEGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)C=C(C)[C@]1(O)C[C@H](Cl)[C@](C)(O)[C@H]21 2356397490 NTSCRVXVXUXXKN-OREPNNHUSA-N 398.883 2.111 50 1 GEGF O=[P@]1(NCCBr)OCC[C@@H](OO)N1CCBr 169319592 SGUQUUFCWPFQBF-VGDKGRGNSA-N 381.989 2.012 50 1 GEGF CCCCOc1cc(B(O)O)cc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)c1 963612596 SSDRIVYBVOUGJS-RCDICMHDSA-N 399.296 2.186 50 1 GEGF NS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc(N3CCCCC3)cc2)cc1 1857551803 GNYSTCSLKIELMD-KGENOOAVSA-N 386.477 2.088 50 1 GEGF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(C(=O)NN)ccc2[nH]1 587039018 NYYZRWGWNMZABF-UHFFFAOYSA-N 375.414 2.032 50 1 GEGF Cc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1 34706195 IHSLMPDWEVOBDU-OCKHKDLRSA-N 394.420 2.033 50 1 GEGF CC(C)(C)n1nnc([C@H](CCCNC(=N)CCl)NC(=O)c2ccccc2)n1 299869469 URNIWPWUEOIZQH-AWEZNQCLSA-N 391.907 2.485 50 1 GEGF COc1cc(OC(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1 1857566822 YNTZZIQZRUVKNU-UHFFFAOYSA-N 382.413 2.245 50 1 GEGF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)C=C(C)[C@]1(O)C[C@@H](Cl)[C@](C)(O)[C@H]21 238785210 MQUHJOHJZWDCIY-LCHUZJHKSA-N 396.867 2.032 50 1 GEGF C=CS(=O)(=O)NC[C@@H](CCl)C(=O)Nc1ccc(OC(F)(F)F)cc1 618017785 POBFFGCFTWGAJG-SECBINFHSA-N 386.779 2.442 50 1 GEGF O=C(CNc1cccc(I)c1)N/N=C/c1ccncc1 201287786 NQUXXYXWCDDVOF-GIJQJNRQSA-N 380.189 2.248 50 1 GEGF COc1cc([C@H]2Oc3cc(C=CC=O)cc(OC)c3O[C@@H]2CO)cc(O)c1O 2356375628 FGFPVGRKMPVITI-IEBWSBKVSA-N 388.372 2.201 50 1 GEGF C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@](C)(O)CCl)=C/C[C@@H]12 238761892 DTWOPKMGYSYHJE-FEHZCBTFSA-N 384.856 2.036 50 1 GEGF CCn1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(=O)c2ccc(C)nc21 103222717 BXIRRJPRGYDSIJ-KEBDBYFISA-N 379.376 2.397 50 1 GEGF CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)Cc2ccco2)cc1 1857645577 GKCAGJWINLMRMJ-UHFFFAOYSA-N 375.450 2.046 50 1 GEGF O=NN(CCCl)C(=O)N[C@H]1CCC[C@H](NC(=O)N(CCCl)N=O)C1 43641007 BCLXFHKREAITIH-UWVGGRQHSA-N 383.236 2.161 50 1 GEGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547268 ZMRKSHHUJJBCCU-FMEYXAORSA-N 390.775 2.462 50 1 GEGF Cc1ccnn1-c1cc(F)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1 1857549601 ZTRQBAJKNJVAJV-UHFFFAOYSA-N 392.387 2.082 50 1 GEGF Cc1ccc(S(=O)(=O)OCCN[P@]2(=O)OCCCN2CCCl)cc1 26387682 NQWGEQCBDKOLAC-QHCPKHFHSA-N 396.833 2.359 50 1 GEGF NNC(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042428 JKUDRPFINANUBF-CQSZACIVSA-N 387.852 2.475 50 1 GEGF COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)o2)ccc1O 103232048 KCYZRSDGYVNVPG-DJKKODMXSA-N 385.405 2.088 50 1 GEGF CO[P@@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl 26171252 ZNYBFLIPAJXDFP-HSZRJFAPSA-N 394.188 2.380 50 1 GEGF Cc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2nccc2C)c1 1857547076 GFUKRHNOZDVABX-UHFFFAOYSA-N 388.424 2.252 50 1 GEGF CC[C@H](NC1=C(N=C2C=CC=C(C#N)C2=O)N[S@](=O)N1)c1cc(C(C)C)co1 2356705023 RHXDKQWFQCQYRO-HJFSHJIFSA-N 399.476 2.372 50 1 GEGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547339 ZMRKSHHUJJBCCU-IXDGSTSKSA-N 390.775 2.462 50 1 GEGF CC(C)[Si](OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)(C(C)C)C(C)C 170069603 ZKTWJRLCMJWTCV-ZOBUZTSGSA-N 384.549 2.377 50 1 GEGF CCOc1ccc(/C=N/NC(=O)Cn2nnc(/C=C/c3ccccc3)n2)cc1 1857543898 DNDMVFGWRXMNLV-XFSMVHDFSA-N 376.420 2.393 50 1 GEGF Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]21 618014019 JIUBTXGWJXUFEX-DCVJPHOPSA-N 395.463 2.031 50 1 GEGF O=C(CCCN1C(=O)c2ccccc2C1=O)N/N=C\c1cccc([N+](=O)[O-])c1 28654762 SAUNFSSIWQCOOV-NDENLUEZSA-N 380.360 2.121 50 1 GEGF