smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cc2ncc(/N=N/c3ccccc3)c(-c3ccc(Cl)cc3)n2n1 100228164 BMQKXRRSNFEQRM-GHVJWSGMSA-N 347.809 5.774 10 40 EKCB O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 6221864 GXMLEMDQLWITRI-JKIFEVAISA-N 344.773 5.214 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 16291430 LZPULCMYARCGBK-VCBZYWHSSA-N 339.822 5.173 10 40 EKCB O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 19887061 GXMLEMDQLWITRI-JJRVBVJISA-N 344.773 5.214 10 40 EKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(C)s3)SC2=S)c(C)c1 33671865 FJXNYLKKCASJKA-DHDCSXOGSA-N 345.514 5.079 10 40 EKCB CCN(CC)c1ccc(/C=C2/C=C(c3cc(C)ccc3C)OC2=O)cc1 408977338 VMFXENKQONLALG-RGEXLXHISA-N 347.458 5.131 10 40 EKCB COc1ccc(N/C=C(/C(=S)c2ccccc2)c2ccccc2)cc1 16216894 AMXIUJRZDRVNLN-LTGZKZEYSA-N 345.467 5.566 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 409174083 LDVSISJNFFENMD-SXGZJXTBSA-N 343.392 6.094 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc1 4117492 BCFPQQDDNLGFIC-MPGHIAIKSA-N 349.327 5.551 10 40 EKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@@H]21 4181769 KBMHBMPVHXODCA-NVGCLXPQSA-N 326.783 5.075 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 6715046 MIUBSDCCDUMSBA-YZVOILCLSA-N 339.822 5.173 10 40 EKCB CCc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 6944935 BKUKMNFOAQWQKU-KKVAFCGZSA-N 343.392 6.094 10 40 EKCB FC(F)(F)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 7092541 MKZPMYGXIWTRDV-JKDFXYPNSA-N 349.783 6.185 10 40 EKCB Fc1cccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)c1 409158593 XRSOVDKRHLOLFY-LBTNJELSSA-N 334.221 5.959 10 40 EKCB Cc1cccc(C)c1Nc1c(-c2ccccn2)nc2ccc(Cl)cn12 201208 APGJEXWCAFUMQS-UHFFFAOYSA-N 348.837 5.410 10 40 EKCB Fc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1 6971404 QXJRKJHNTLAZRD-VBQJREDUSA-N 333.328 5.671 10 40 EKCB CC=C(c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1 1594193 XMXURSCAZOLQKH-UHFFFAOYSA-N 336.523 5.831 10 40 EKCB CN(C)c1ccc(/C=C2/c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 16892359 XMNXSUPJEJGSMD-BKUYFWCQSA-N 342.398 5.230 10 40 EKCB Cc1cc2c(n1-c1ccc(Oc3ccccc3)cc1)CC(C)(C)CC2=O 384223 VKRABNJZLAOVDY-UHFFFAOYSA-N 345.442 5.733 10 40 EKCB Cc1cc(C)c2c(c1)N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 408737374 NCJBUHBPVMLTEJ-SIFCLUCFSA-N 344.285 6.437 10 40 EKCB Cc1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 409158636 RQLIEBFPAKXTTQ-VDZJLULYSA-N 340.264 5.584 10 40 EKCB COc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 409160625 VALWTPIONXDUMR-VFVRVIDISA-N 345.364 5.541 10 40 EKCB Fc1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]21 409164215 FBIMYVXCMDIONZ-FHSNZYRGSA-N 333.328 5.671 10 40 EKCB CCc1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 6943605 YGERKLPLLHBMDC-WFXMLNOXSA-N 334.419 5.292 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 8336066 FLKFTUMRESLJJL-TXPKVOOTSA-N 340.810 5.383 10 40 EKCB Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C(C)C)cc2)cc1 94855 XNLOGBXGYLIMHX-UHFFFAOYSA-N 347.458 5.593 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 20059025 DARCHSDNEVZDJJ-WSTZPKSXSA-N 333.431 5.335 10 40 EKCB CC(C)CC[C@@H]1C[C@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 100499957 YTEMARBLDWMTHY-ULIIWZBQSA-N 335.451 6.113 10 40 EKCB COc1cccc(-n2c(C)ccc2-c2cccc(C(F)(F)F)c2)c1 199732773 GVSHQSCQDRJXCL-UHFFFAOYSA-N 331.337 5.480 10 40 EKCB Fc1cc(Br)cc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 409167561 IQWJWWZBPUIEQD-GRDNDAEWSA-N 344.227 5.415 10 40 EKCB Fc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 19890258 FXSAPFFJWKDYGD-QFSBIZTOSA-N 334.221 5.959 10 40 EKCB Cc1cc(-c2csc(-c3ccncc3)n2)c(C)n1-c1ccccc1 23623147 KAMFXLSLODHRDU-UHFFFAOYSA-N 331.444 5.280 10 40 EKCB CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 5862468 CPRSWUPLLHYFNH-YHZJOHHESA-N 347.549 5.413 10 40 EKCB Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1ccc([N+](=O)[O-])cc1 6961883 CNAZNTBKXFTVMB-UHFFFAOYSA-N 349.415 5.279 10 40 EKCB Fc1cccc2c1N[C@@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 33857947 JXXTVJTZLCBGMT-XWCIJXRUSA-N 344.227 5.415 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21 409168151 KSTBWQDYGITTJK-BWACUDIHSA-N 344.227 5.415 10 40 EKCB CCc1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 409171137 YGERKLPLLHBMDC-LQWHRVPQSA-N 334.419 5.292 10 40 EKCB Fc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 6528310 VAKKSMGEZXSCQP-RVPKQNPDSA-N 334.221 5.959 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@H]21 409161486 XVRQRZUYVRCPIU-PSTGCABASA-N 333.328 5.671 10 40 EKCB Cc1cc(/C=C2\C(=O)Nc3ccccc32)c(C)n1-c1ccc(Cl)cc1 13098901 YYDSBFBVHVWKKX-UNOMPAQXSA-N 348.833 5.240 10 40 EKCB CC[n+]1c(/C=C2\C=Cc3ccc(C)cc3N2C)sc2ccccc21 4123263 YKJOWWNHXPDSBY-UHFFFAOYSA-N 333.480 5.021 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 20700236 SOWPDFUJTZCUGX-VPZZIHKRSA-N 330.258 6.128 10 40 EKCB O=C1OC(c2cccc3ccccc23)=C/C1=C/c1cccc(Cl)c1 408721936 BLIRPRWGSZWLCU-WJDWOHSUSA-N 332.786 5.475 10 40 EKCB Fc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc1 409162110 CTJQJNQDWWSJDB-XPNTWCBSSA-N 341.429 6.319 10 40 EKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 409172863 GEVLJELTOZVTGW-SIFCLUCFSA-N 343.392 6.149 10 40 EKCB Cc1ccc2cc(C3=C/C(=C\c4ccc(Cl)cc4)C(=O)O3)ccc2c1 4520513 MKSQPOQSLOLKTG-YBFXNURJSA-N 346.813 5.783 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 20058201 MIUBSDCCDUMSBA-SPYBWZPUSA-N 339.822 5.173 10 40 EKCB Cc1ccc(-c2nc(C3CCCCC3)[nH]c2-c2ccccc2)cc1C 6199553 KMCTXMKAOAYBFY-UHFFFAOYSA-N 330.475 6.408 10 40 EKCB O=C1OC(c2ccc3c(c2)CCCC3)=C/C1=C\C=C/c1ccccc1 17289302 JXBQREPWTRNTQW-PXAIGCRMSA-N 328.411 5.103 10 40 EKCB CCc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 409154820 KWNDRZWYSBJIJA-GJYPPUQNSA-N 344.285 6.382 10 40 EKCB Cc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc1 409161819 BACGYYGUFCUIRE-MDZRGWNJSA-N 329.365 5.840 10 40 EKCB C1=C[C@H]2c3ccccc3N[C@@H](c3c4ccccc4cc4ccccc34)[C@H]2C1 408736914 CTZMNXUSJJVYGD-RZPFDVGOSA-N 347.461 6.820 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 6963486 YUDDPQBUMAOMEO-TXPKVOOTSA-N 340.810 5.383 10 40 EKCB Oc1cc2c(cc1CN1CCC[C@H](C(F)(F)F)C1)oc1ccccc12 57535377 CWAIJMMWEOSQDA-ZDUSSCGKSA-N 349.352 5.066 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 1410105 CSENCKNYCFJEOY-LPMFXHHGSA-N 340.264 5.584 10 40 EKCB CCc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc1 6943517 ZRAOADWHLOUMSP-QKLQHJQFSA-N 343.392 6.094 10 40 EKCB Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2 409151199 ANLCUVJSQBNHLY-BLIXFSHQSA-N 333.381 5.945 10 40 EKCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)s1 15008383 KKDNGFQYRBBBKM-OQLLNIDSSA-N 345.514 5.079 10 40 EKCB Cc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 409159050 MJSOHUMANNVPFL-ZUEVXXBESA-N 340.810 5.383 10 40 EKCB CC(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 1252239 CJPYFCVIGTTYFC-SFQUDFHCSA-N 339.485 5.216 10 40 EKCB Fc1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 32121228 UTTKTVCBGPKFFE-JJRVBVJISA-N 344.227 5.415 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@@H]21 20697800 DAAKVIHLYVAONQ-WOIUINJBSA-N 348.446 5.853 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 409170889 XSCPUKDKUIHBLI-TYILLQQXSA-N 340.810 5.383 10 40 EKCB CCCCN(CCCC)c1ccc(/C=C2/C=Cc3ccccc32)cc1 17354168 FDZIYCHATWJZCH-QOCHGBHMSA-N 331.503 6.661 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 20700233 SOWPDFUJTZCUGX-NQCMUKECSA-N 330.258 6.128 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@@H]21 409158620 XSPQCFVVYLTAPN-VPZZIHKRSA-N 339.822 5.173 10 40 EKCB Cc1cc(/C=C2\SC(=S)N=C2O)c(C)n1-c1ccc(Cl)cc1 14011295 PDBJVAFYFYFLKK-ZSOIEALJSA-N 348.880 5.077 10 40 EKCB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CN=[N+]=[N-] 122115227 NUOUFIXLUAPRPT-DTMQFJJTSA-N 331.504 5.461 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@@H]2C=CC[C@@H]21 226903082 CDONCQVELSRUAQ-FTLABTOESA-N 346.257 5.829 10 40 EKCB CCc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@H]32)cc1 8087397 GUWAUZSWBMUJSI-KHYOSLBOSA-N 344.285 6.382 10 40 EKCB CC(C)c1ccc(C2=C/C(=C\c3cccc4ccccc34)C(=O)O2)cc1 4852835 LUJJHDQJGQRPEV-KGENOOAVSA-N 340.422 5.945 10 40 EKCB Cc1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 6968680 RQLIEBFPAKXTTQ-SZVBFZGTSA-N 340.264 5.584 10 40 EKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 226829180 GDKBNKSMMDICMP-JZKQVHKSSA-N 344.285 6.437 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1 6324104 YSMZVRGYUNOZES-QKLQHJQFSA-N 337.894 6.464 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 8276836 SOWPDFUJTZCUGX-QUJCMNEKSA-N 330.258 6.128 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@@H]21 409164877 PADBRLDYNQFHRI-XQBPLPMBSA-N 337.894 6.598 10 40 EKCB Fc1ccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 4286312 IFPNQZNVTLNVKT-JJRVBVJISA-N 334.221 5.959 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 6963499 DQIGGDHUJDKSCI-NJSLBKSFSA-N 340.810 5.383 10 40 EKCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2cnc(C)cn2)cc1 102324533 UEOZNGPOBBRHAU-OCOZRVBESA-N 345.406 5.070 10 40 EKCB Cc1ccc(Cl)c2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 226724308 SIFRZNRBFHKHAB-FHJLPGHOSA-N 345.873 6.628 10 40 EKCB Cc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 6968652 MJSOHUMANNVPFL-FRIZHTMISA-N 340.810 5.383 10 40 EKCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)Nc4ccccc43)c2C)cc1C 12649366 LSNFQPUKBQJVJH-BKUYFWCQSA-N 342.442 5.204 10 40 EKCB Cc1ccc(/N=N/c2cc(C(C)(C)C)cc(Br)c2O)cc1 4599901 HEWCHOBPPVEOCW-FMQUCBEESA-N 347.256 6.176 10 40 EKCB CN(C)CC/C=C1/c2cc(F)ccc2Sc2ccc(Cl)cc21 347634 VCPRSFYZZOYOEQ-LNKIKWGQSA-N 333.859 5.327 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 8336057 TTWBDPRUKCQTGC-TXPKVOOTSA-N 330.258 6.128 10 40 EKCB COc1ccc(Nc2c3ccccc3nc3ccccc23)cc1Cl 429736 XTWOXPSDCVBAGB-UHFFFAOYSA-N 334.806 5.794 10 40 EKCB FC(F)(F)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 7092671 MKZPMYGXIWTRDV-PRXAMGSTSA-N 349.783 6.185 10 40 EKCB Cc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1 94785 JBLWUTKTBNDTDF-UHFFFAOYSA-N 339.822 5.123 10 40 EKCB CN(C)c1ccc(/C=C2\c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 1686976 XMNXSUPJEJGSMD-FYJGNVAPSA-N 342.398 5.230 10 40 EKCB Cc1cccc(-n2c(C)cc([C@@H]3NN=C(c4ccccc4)S3)c2C)c1 6967815 CYCZMSQVPHTNHV-OAQYLSRUSA-N 347.487 5.099 10 40 EKCB CN(C)c1ccc(/C=C2\C=Cc3ccccc32)cc1Br 1604325 IYQRNZSQZVRJOH-RVDMUPIBSA-N 326.237 5.083 10 40 EKCB CCc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1 6943575 DAAWXZHTYYZPFN-FCEWJHQRSA-N 343.392 6.094 10 40 EKCB Brc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H]([C@H]1CC=CCC1)N2 4321304 SIBQPRMYIDHIQZ-FRQROOTJSA-N 330.269 5.259 10 40 EKCB O=C1N=C(Nc2cccc3ccccc23)S/C1=C\C=C\c1ccco1 5520430 SKYWCSCJDUYMLZ-FPIBPDFOSA-N 346.411 5.071 10 40 EKCB Cc1ccccc1N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 5549145 OFZDZFUUTMKFFH-GDNBJRDFSA-N 345.876 5.054 10 40 EKCB CCc1cccc(CC)c1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 7468151 ORICOVHXCFCWBP-UHFFFAOYSA-N 346.474 5.471 10 40 EKCB CCc1ccc2sc3ccc4c(c3c2c1)C(=O)c1ccccc1C4=O 35323595 FFUJKPOBEVLESS-UHFFFAOYSA-N 342.419 5.392 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@H]21 7092911 XVRQRZUYVRCPIU-XWCIJXRUSA-N 333.328 5.671 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21 408736518 XCOJETWLPZDCAZ-BWACUDIHSA-N 334.221 5.959 10 40 EKCB Cc1cc(Sc2ccccc2)c2c3c(onc13)-c1ccccc1C2=O 504021 OOGDLCYHVJTZPK-UHFFFAOYSA-N 343.407 5.499 10 40 EKCB Oc1ccccc1C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 4419766 FWCUYPZPXATWFB-HXUWFJFHSA-N 348.833 5.401 10 40 EKCB Cc1ccc(C2=C/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1 39986921 ZILPRMPPNAABLS-ZSOIEALJSA-N 331.198 5.283 10 40 EKCB Cc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2 100816026 ISOLDHAMKHKUIN-NVMIEIDBSA-N 338.411 6.016 10 40 EKCB COc1ccc(Cl)c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@@H]21 409151433 GUBWJSHDWVKGDJ-QWQRMKEZSA-N 329.802 5.314 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 13590150 VSARUIOGNCPGGS-RKVPGOIHSA-N 344.227 5.415 10 40 EKCB Cc1cccc(C)c1Nc1c(-c2ccco2)nc2ccc(Cl)cn12 201210 VAKCYIHDVFJHOL-UHFFFAOYSA-N 337.810 5.608 10 40 EKCB Fc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1 6971389 QXJRKJHNTLAZRD-ZQIUZPCESA-N 333.328 5.671 10 40 EKCB C1=C[C@H]2c3ccc4ccccc4c3N[C@@H](c3cccc4ccccc34)[C@H]2C1 408736511 WWZAMNDBFWEROI-JJTGBXKASA-N 347.461 6.820 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2 4321264 DXRNIHSFUZJKKE-KPLVRAHFSA-N 342.398 5.575 10 40 EKCB Cc1ccc(-c2c(O)c3ccccc3c3nc4ccccc4nc23)cc1 6245718 ZIFUHQLQSFOTIE-UHFFFAOYSA-N 336.394 5.617 10 40 EKCB Cc1ccccc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O 59502983 RDVYWWYOBXEZLA-OQLLNIDSSA-N 345.876 5.054 10 40 EKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 408826783 CZLLOMJQTSTURR-KEYYUXOJSA-N 343.785 5.004 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 1461963 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HNWDNUHWAFRWRP-QURGRASLSA-N 332.359 5.097 10 40 EKCB Cc1ccccc1/N=N/c1ccc(/N=N/c2ccc(O)cc2O)c(C)c1 17967898 IEAVHKYXMGYCCH-RLPYSRNMSA-N 346.390 6.545 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 4007990 YWKBTFYWHHQQLN-LXIYXOSZSA-N 326.783 5.075 10 40 EKCB Cc1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 6968690 FMOSKNHXZVNOLL-MUKKUYKPSA-N 340.264 5.584 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 8336053 RYMJEQZBCQDNMS-TXPKVOOTSA-N 339.822 5.173 10 40 EKCB COc1cccc(-n2c(C)ccc2-c2ccccc2C(F)(F)F)c1 199732690 JMKWHHHIAKTEJE-UHFFFAOYSA-N 331.337 5.480 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 20756955 LWVOPZVLLLSZCM-QWFCFKBJSA-N 334.419 5.545 10 40 EKCB Brc1ccc(/N=N\c2ccc(Br)cc2)cc1 104057451 LTPLLZWVPBTAMH-NXVVXOECSA-N 340.018 5.627 10 40 EKCB CCc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 8087425 KWNDRZWYSBJIJA-BXWFABGCSA-N 344.285 6.382 10 40 EKCB Fc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@H]32)cc1 13576380 SVIXQZGYDRQRMJ-XNJGSVPQSA-N 334.221 5.959 10 40 EKCB Fc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 20754342 YDGZALBXLXGXFA-CPUCHLNUSA-N 344.227 5.415 10 40 EKCB COc1cccc(-n2c(C)ccc2-c2ccc(Cl)c([N+](=O)[O-])c2)c1 199744869 HACJPDZPECJBKT-UHFFFAOYSA-N 342.782 5.023 10 40 EKCB CCc1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@H]32)cc1 409154051 FQOOELCVCYXFEV-OPYAIIAOSA-N 348.446 5.601 10 40 EKCB O=[N+]([O-])c1ccc(/N=N\Nc2ccc(/N=N\c3ccccc3)cc2)cc1 100027550 SMMIDVLUFMPWFN-VXPUYCOJSA-N 346.350 6.121 10 40 EKCB O=C(c1ccccc1)c1cc2c(cc1/N=N/c1ccccc1)OCCO2 100242116 GYNSLQRIRBTBCQ-GHVJWSGMSA-N 344.370 5.104 10 40 EKCB Cc1ccc(C2=C/C(=C\c3cccc4ccccc34)C(=O)O2)cc1C 6088321 KUGYURGYNYRVEH-DEDYPNTBSA-N 326.395 5.438 10 40 EKCB COc1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]21 20749099 UCKDJCCDVSIOLB-VLXJIEOASA-N 346.257 5.829 10 40 EKCB CC(=O)OC(/N=N\c1ccccc1)(c1ccccc1)c1ccccc1 100226266 XSCGWODDSJNARA-FCQUAONHSA-N 330.387 5.235 10 40 EKCB Fc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 6528308 VAKKSMGEZXSCQP-DINDLPBHSA-N 334.221 5.959 10 40 EKCB CCc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 409159649 RQAVFWBJOKADEC-UVFQYZLESA-N 344.285 6.382 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 6347741 QCLJOZSHPCFPNS-NLWGTHIKSA-N 334.419 5.545 10 40 EKCB CC(=C/c1ccccc1)/C=C1\SC(Nc2ccccc2C)=NC1=O 5804315 QCNACJOIUMGCHX-REFMDLPBSA-N 334.444 5.024 10 40 EKCB CCCCN1c2cc(Cl)c(CNCCC)cc2C(C)=CC1(C)C 223802373 SLHHFVYAQUWLNH-UHFFFAOYSA-N 334.935 5.642 10 40 EKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1ccc(Cl)cc1 35624701 HIQRVAVFPXJGND-NTEUORMPSA-N 349.242 5.076 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)cc1 409154293 GMYUFYRIIBSCFC-DEYYWGMASA-N 339.822 5.173 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 4498447 GWTBAIHFEJIJHZ-ZQIUZPCESA-N 326.783 5.075 10 40 EKCB CCN(CC)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(C)c1 4522485 PNZRIPDUNIGSOU-UHFFFAOYSA-N 347.526 5.561 10 40 EKCB CCCCc1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1 6635965 GFIJREXSBHQDHC-VBKFSLOCSA-N 343.473 5.028 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 20694933 YXPCAYLZZRDPFE-ZRGWGRIASA-N 330.258 6.128 10 40 EKCB CC(C)C(=O)c1cc2c(cc1/N=N/c1ccc(Cl)cc1)OCCO2 30822810 JPWSUHSKSOXVLS-QZQOTICOSA-N 344.798 5.365 10 40 EKCB Oc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 40487615 BOMJOWAGPDDJKX-UHFFFAOYSA-N 325.795 5.450 10 40 EKCB CCN1C(=O)/C(=C/c2cn(CC(C)C)c3ccccc23)c2ccccc21 409193966 JCTGRUFFGIXMOO-DEDYPNTBSA-N 344.458 5.204 10 40 EKCB Nc1ncc(/N=N\c2ccccc2)c(-c2ccc(Cl)cc2Cl)n1 12959493 UNJMNJFPEVJCQK-FCQUAONHSA-N 344.205 5.448 10 40 EKCB CCOc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 20699544 CGZBZPQSGLXTHM-GPMSIDNRSA-N 325.839 5.565 10 40 EKCB Cc1ccc(-n2c(C)cc([C@H]3Sc4ccccc4NC3=O)c2C)cc1 27753793 UWQOQYDMOPEFDL-HXUWFJFHSA-N 348.471 5.188 10 40 EKCB [N-]=[N+]=CC(=O)c1cc(-c2ccccc2)nc2c(-c3ccccc3)cccc12 5699271 VTFBATKXHSVLDQ-UHFFFAOYSA-N 349.393 5.052 10 40 EKCB CCN(CC)c1ccc(/C=C/c2nc3cc(Cl)ccc3o2)cc1 12515837 WXJCJNBYJUUISR-KPKJPENVSA-N 326.827 5.498 10 40 EKCB Fc1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)c1 6970128 XTSMZNZYPVJSOT-ZQIUZPCESA-N 333.328 5.671 10 40 EKCB Fc1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 361410 UTTKTVCBGPKFFE-GRDNDAEWSA-N 344.227 5.415 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@@H]21 409172352 CTMGHAOEWKGNPN-VPZZIHKRSA-N 339.822 5.173 10 40 EKCB Oc1c(-c2nc3ccccc3c3ccccc23)sc2ncccc12 6589986 ZESHDKHMNMQHEB-UHFFFAOYSA-N 328.396 5.370 10 40 EKCB CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2 36082090 UVXXFKOXAXNRLM-KJWPAHLWSA-N 339.482 6.790 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@H]21 409168152 KSTBWQDYGITTJK-PSTGCABASA-N 344.227 5.415 10 40 EKCB COC(=O)c1ccc([C@@H]2Nc3c(C(C)C)cccc3[C@H]3C=CC[C@@H]32)cc1 6347762 LUZDOJREFRXSBV-ZJOUEHCJSA-N 347.458 5.423 10 40 EKCB Cc1cccc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 408737455 RDHNVEFGMOPVSC-RFUYNDQBSA-N 330.258 6.128 10 40 EKCB CCN(CC)c1ccc(/C=C2/C=C(c3ccc(C)cc3C)OC2=O)cc1 408975551 MWSXJCKNWWRKAN-RGEXLXHISA-N 347.458 5.131 10 40 EKCB CC(c1ccc(Oc2ccc(N)cc2)cc1)(C(F)(F)F)C(F)(F)F 390823142 UDHLPOYKMCZHMQ-UHFFFAOYSA-N 349.274 5.443 10 40 EKCB Cc1ccc2nc3ccccc3c(Nc3cc([N+](=O)[O-])ccc3C)c2c1 4718283 HBMZXZKIGVBIRS-UHFFFAOYSA-N 343.386 5.657 10 40 EKCB O=C1OC(c2ccc3c(c2)CCCC3)=C/C1=C\C=C\c1ccccc1 17289305 JXBQREPWTRNTQW-XZHCKZKCSA-N 328.411 5.103 10 40 EKCB Cc1ccc2c(c1C)N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 20711501 XXOISNXVPYLOOM-JZKQVHKSSA-N 344.285 6.437 10 40 EKCB O=C(/C=C/c1ccccc1)Nc1ccc(/N=N\c2ccccc2)cc1 100488594 DHYCVNULLGWOSW-NFWZOFFKSA-N 327.387 5.754 10 40 EKCB Nc1on2c(-c3ccc(Cl)cc3)cnc2c1/N=N/c1ccccc1 4457953 PQGTWEJDYRYXTB-QURGRASLSA-N 337.770 5.245 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 4718507 ONJUTHIWGVUHNE-DAYGRLMNSA-N 326.783 5.075 10 40 EKCB Brc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H]([C@H]1CC=CCC1)N2 4321302 SIBQPRMYIDHIQZ-OWCBBSPXSA-N 330.269 5.259 10 40 EKCB S=C(c1ccc(-c2c(Cl)cccc2Cl)o1)N1CCCCC1 9418701 DHRAESNIVOPVIX-UHFFFAOYSA-N 340.275 5.415 10 40 EKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(ccc3ccccc23)[C@@H]2C=CC[C@H]21 20712920 LBMLQITUMYNDTG-DRSNIGMVSA-N 342.398 5.575 10 40 EKCB O=[N+]([O-])c1ccc(/N=N/[C@@H](Oc2ccccc2)c2ccccc2)cc1 4065095 RHWFJUUGTWOTRX-GEXZYOHASA-N 333.347 5.456 10 40 EKCB Nc1nn2c(-c3ccc(Cl)cc3)ccnc2c1/N=N/c1ccccc1 4419229 PAENSLOHJDFGDF-GHVJWSGMSA-N 348.797 5.047 10 40 EKCB Clc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1 4663086 KBBHSWSFYFVUID-UHFFFAOYSA-N 333.822 5.291 10 40 EKCB CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 36081589 FEWHLDRHYOKHHX-LQWHRVPQSA-N 334.419 5.545 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 409158205 XUWXYHSBSSCURJ-SXGZJXTBSA-N 344.285 6.382 10 40 EKCB Fc1cccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)c1 6970121 IWBGPKNYDIIHGU-MPGHIAIKSA-N 333.328 5.671 10 40 EKCB Cc1ccc(C)c(-c2[nH]c([C@@H]3CC=CCC3)nc2-c2ccccc2)c1 2353679 JMWXSMQVINUETP-LJQANCHMSA-N 328.459 6.184 10 40 EKCB CCCCCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2666887 KHMWFQAYAWAQPS-KAMYIIQDSA-N 339.913 5.122 10 40 EKCB Cc1cc(/N=N\c2ccccc2)c(C(C)C)cc1/N=N\c1ccccc1 96168944 AOCSNOPVOYYRAN-YPAXQUSRSA-N 342.446 7.949 10 40 EKCB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)cc1 5794740 MJGMNUKIOHTRGE-UKTHLTGXSA-N 348.880 5.046 10 40 EKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1C 112113927 NSKJMFIUMYPESJ-FXBPSFAMSA-N 347.462 5.192 10 40 EKCB Cc1ccc(-c2nc3c(C)cccn3c2Nc2ccc(C(C)C)cc2)o1 201165 MGLKUDCULKJUGL-UHFFFAOYSA-N 345.446 6.078 10 40 EKCB Fc1ccc([C@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc1 4661120 DCLASWZOVIRYAF-HDMKZQKVSA-N 333.328 5.671 10 40 EKCB O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Cl)ccc3[C@H]3C=CC[C@@H]32)cc1 59475115 KCWJVGZGANKSEN-HFTRVMKXSA-N 326.783 5.075 10 40 EKCB Cc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc1 409161815 BACGYYGUFCUIRE-GJYPPUQNSA-N 329.365 5.840 10 40 EKCB CN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 102939754 ZPUWNDGWDXJXEK-FMQUCBEESA-N 338.289 5.095 10 40 EKCB Cc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)o1 409054064 QTDJAPSOOQUEKC-GHRIWEEISA-N 344.366 5.362 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 409169129 OXUZNLHCHBBKQR-LPMFXHHGSA-N 338.382 5.177 10 40 EKCB O=C1c2ccc3ccccc3c2C(=O)c2cccc(-c3ccccc3)c21 5732170 IUHMKBNJYNNFCP-UHFFFAOYSA-N 334.374 5.282 10 40 EKCB CCN(CC)c1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 59022451 NASNPMNNPYLBBT-UHFFFAOYSA-N 342.442 6.008 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 409152523 FQKTVOPZWNGMLL-DEYYWGMASA-N 340.810 5.383 10 40 EKCB Cc1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1 549262 HUMXPASVXGPBQJ-OAQYLSRUSA-N 340.426 5.450 10 40 EKCB in-vitro FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@@H]21 409152596 KJERCJOYANCGAH-NVGCLXPQSA-N 349.783 6.185 10 40 EKCB O=C(O)c1ccccc1[C@@H]1Nc2c(ccc3ccccc23)[C@@H]2C=CC[C@@H]21 409163761 XLGZLWYORQKFQM-HYFFOGBASA-N 341.410 5.365 10 40 EKCB Fc1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)c1 409165397 XTSMZNZYPVJSOT-CPUCHLNUSA-N 333.328 5.671 10 40 EKCB S=C(C=C1S[C@@H]2CCCC[C@H]2S1)c1ccc(Cl)cc1 2179615 VNUQLXKQHQYYAB-ZIAGYGMSSA-N 326.939 5.691 10 40 EKCB CC(=C/c1ccccc1)/C=C1\SC(Nc2cccc(C)c2C)=NC1=O 5854290 UFSNEYYOAOEWOZ-CCQBMIMPSA-N 348.471 5.332 10 40 EKCB Cc1ccccc1/N=N\c1ccc(/N=N/c2ccc(O)cc2)c(C)c1 18252344 NJMJSHLPJWODPM-LPRDPYTISA-N 330.391 6.840 10 40 EKCB Oc1ccc(Br)cc1CNc1cc(Cl)ccc1Cl 44836208 WCNUYAWXZLYNFV-UHFFFAOYSA-N 347.039 5.074 10 40 EKCB O=C(O)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21 4714348 YSSDNCFNJKGWHI-DJPFJPOOSA-N 341.410 5.365 10 40 EKCB CCCCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 2666863 ASSGJBRBGYWMBF-VBKFSLOCSA-N 333.522 5.201 10 40 EKCB COC(=O)c1ccc([C@@H]2Nc3c(C(C)C)cccc3[C@H]3C=CC[C@H]32)cc1 6347799 LUZDOJREFRXSBV-ZVDOUQERSA-N 347.458 5.423 10 40 EKCB CC(=C/c1ccccc1)/C=C1\SC(Nc2ccc(C)cc2)=NC1=O 5851945 PQJZDZLDUCXUIF-MIXLFBTASA-N 334.444 5.024 10 40 EKCB CCCOc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 408736478 VLMNQZMFYHSYGB-LQWHRVPQSA-N 349.430 5.000 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@@H]21 409166743 FSVGOGXKWGBDON-JBYIUTFZSA-N 347.458 5.643 10 40 EKCB FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 409166818 GHNPBGOGXGMWNP-IIDMSEBBSA-N 349.783 6.185 10 40 EKCB COc1ccc(Cl)c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 4593477 SELXXTASQCWDBB-IUUKEHGRSA-N 329.802 5.314 10 40 EKCB CCOc1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 6935704 UCXBRQSTDADHCP-NJSLBKSFSA-N 325.839 5.565 10 40 EKCB Brc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 20757724 CXGVSJUNEWDUKZ-JKIFEVAISA-N 326.237 5.276 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 58929007 FQKTVOPZWNGMLL-GLJUWKHASA-N 340.810 5.383 10 40 EKCB Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccc(C(C)C)cc2)o1 426766 ALYBYGQBLCYLIU-UHFFFAOYSA-N 345.446 6.078 10 40 EKCB Cc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1 6966467 UACQIXPDFBOADR-MPGHIAIKSA-N 329.365 5.840 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 8276655 SOWPDFUJTZCUGX-JMERFSKESA-N 330.258 6.128 10 40 EKCB Cc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 226874085 IFKUEBFKMDNXKY-GJYPPUQNSA-N 340.264 5.584 10 40 EKCB Cc1cc2nc(-c3ccc(OCc4ccc(N)cc4)cc3)oc2cc1C 226294720 ZWUDCBDNBAJVEH-UHFFFAOYSA-N 344.414 5.273 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 409155445 PXNGAYRBTNVDIF-FHSNZYRGSA-N 333.328 5.671 10 40 EKCB CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 4172100 AFQXAOUQZPFYDQ-LQWHRVPQSA-N 333.431 5.335 10 40 EKCB Fc1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 32121224 UTTKTVCBGPKFFE-JKIFEVAISA-N 344.227 5.415 10 40 EKCB Oc1ccc(Br)cc1CNc1cc(Cl)cc(Cl)c1 40889 DLEAMTFAGKHVJR-UHFFFAOYSA-N 347.039 5.074 10 40 EKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)ccc1Cl 7098176 ZRLFFZYGBOWOLT-YEWDVWPNSA-N 326.783 5.075 10 40 EKCB COc1cccc(-n2c(C)ccc2-c2cccc(Br)c2)c1 228979415 SPVKQUMDAMZGGT-UHFFFAOYSA-N 342.236 5.224 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@@H]21 409161485 XVRQRZUYVRCPIU-BWACUDIHSA-N 333.328 5.671 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)c1 409162561 FYAHHTVADVIBRK-CPUCHLNUSA-N 344.227 5.415 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 250795035 XCEOLCASSICZGA-FTLABTOESA-N 334.221 5.959 10 40 EKCB Fc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 1418691 VAKKSMGEZXSCQP-RLFDGXBXSA-N 334.221 5.959 10 40 EKCB CCCCN1c2cc(Cl)c(CNC(C)C)cc2C(C)=CC1(C)C 223822442 GLFONFGVGSFQAJ-UHFFFAOYSA-N 334.935 5.640 10 40 EKCB CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C 113747 RYNBQQWODYCGRR-UHFFFAOYSA-N 339.822 5.283 10 40 EKCB Cc1ccsc1/C=C1\C=C(c2ccc(-c3ccccc3)cc2)OC1=O 409053043 JMKMNPVYWQLRPO-XMHGGMMESA-N 344.435 5.705 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc1 6324108 JGCGIDODUGVBGX-QKLQHJQFSA-N 348.446 5.719 10 40 EKCB CCCCCn1nc(C)c(C2Nc3cccc4cccc(c34)N2)c1C 1740257 QSGRAIJICFWQFQ-UHFFFAOYSA-N 334.467 5.380 10 40 EKCB Clc1ccc(Cl)c(/N=N\c2cc3c4c(c2)CCCN4CCC3)c1 104302837 HZLAGPFZLLYVCV-DQRAZIAOSA-N 346.261 6.108 10 40 EKCB Fc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1 4719707 VSARUIOGNCPGGS-HDMKZQKVSA-N 344.227 5.415 10 40 EKCB COc1cccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)c1 6954608 OIVDMALOADVGGF-FCEWJHQRSA-N 345.364 5.541 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 409158441 XKIKCQSQCLZTBD-KEYYUXOJSA-N 344.773 5.214 10 40 EKCB CCc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 8087419 KRAHTRWGCRSXBT-DOXZYTNZSA-N 344.285 6.382 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 20713056 SNOLWMYPGNJCNT-VPZZIHKRSA-N 340.810 5.383 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2 409168824 NVPQHMFPMZWZGE-PSTGCABASA-N 344.773 5.214 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 6715050 MIUBSDCCDUMSBA-QMTMVMCOSA-N 339.822 5.173 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 409156640 SXYMNJNQNIZTGX-TYILLQQXSA-N 329.365 5.840 10 40 EKCB CC[C@H](c1ccc(O)c(CN(C)C)c1)[C@@H](CC)c1ccc(OC)cc1 1616030 YKKNAUUKHXFHON-LEWJYISDSA-N 341.495 5.150 10 40 EKCB COc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 6954848 VALWTPIONXDUMR-JCGVRSQUSA-N 345.364 5.541 10 40 EKCB Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 39986623 FTECXPRLNJWMNX-BOPFTXTBSA-N 339.485 5.018 10 40 EKCB O=C1/C(=C\c2cccc3ccccc23)SC(=S)N1c1ccccc1 5006982 DRDRHPPOMAWDOA-QGOAFFKASA-N 347.464 5.246 10 40 EKCB Fc1cccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 5946104 JXXTVJTZLCBGMT-BWACUDIHSA-N 344.227 5.415 10 40 EKCB CCc1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1 408968476 ZIAAGJHGCSYVOK-UHFFFAOYSA-N 340.264 5.778 10 40 EKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 409158677 SBDDBJSDBXAFFZ-IGCXYCKISA-N 349.783 6.185 10 40 EKCB CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(C)o2)SC1=S 5862605 VIFJAQHNQASWNL-LERPTODRSA-N 337.510 5.006 10 40 EKCB C[N+](C)(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21 520423 MEGKGFLRLJLXDL-NVNXTCNLSA-N 330.904 5.333 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 4623290 QOIJPAQWTJOHSL-CKEIUWERSA-N 326.783 5.075 10 40 EKCB O=C1OCC/C1=C\c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1 18151970 INXIOKNAUPYOLQ-QBTFCZSESA-N 344.370 5.291 10 40 EKCB CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(C)cc1 12447470 LFSNCQPMLWJDOX-IDUWFGFVSA-N 345.229 5.108 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 409155453 PXNGAYRBTNVDIF-SNUQEOBHSA-N 333.328 5.671 10 40 EKCB CCN(CC)c1ccc(/C=C(/C)c2nc3cc(Cl)ccc3[nH]2)cc1 4824577 XJIJZZBPKWKBDO-OWBHPGMISA-N 339.870 5.623 10 40 EKCB FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 409152185 JIWGXEVLAVSATH-IIDMSEBBSA-N 349.783 6.185 10 40 EKCB Cc1ccc(C)n1-c1ccc(-c2ccc(-n3c(C)ccc3C)cc2)cc1 991373 YTQVDWWQMDDJOD-UHFFFAOYSA-N 340.470 6.169 10 40 EKCB CCCCN1C(C)=CC(=Cc2sc3ccccc3[n+]2C)C=C1C 3218723 MRZVWXXIKABTLB-UHFFFAOYSA-N 325.501 5.033 10 40 EKCB Cc1cccc(C)c1-n1c(C)cc(-c2nc3ccccc3s2)c1C 6968552 OZQXPJFPUYAYKC-UHFFFAOYSA-N 332.472 5.988 10 40 EKCB COc1ccc(Cl)c2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 59267050 LOQFRSMQFWDUQO-GLJUWKHASA-N 346.257 5.829 10 40 EKCB FC(F)(F)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 408737911 ZWIULTHAVQQAHF-KEYYUXOJSA-N 349.783 6.185 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 409175501 RYMJEQZBCQDNMS-JTDSTZFVSA-N 339.822 5.173 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 409158198 XUWXYHSBSSCURJ-SIFCLUCFSA-N 344.285 6.382 10 40 EKCB Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 4718762 IZSABPHCHBLJMD-VNBZBWLYSA-N 334.221 5.959 10 40 EKCB O=C1N=C(Nc2ccc3ccccc3c2)S/C1=C\C=C\c1ccco1 5520431 WAGGELNLFVJMCQ-XZNZVPEWSA-N 346.411 5.071 10 40 EKCB FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@@H]21 409168599 MSSFGSHQZFXNQE-FHSNZYRGSA-N 349.783 6.185 10 40 EKCB Oc1ccc2ccccc2c1/N=N/c1ccc(Br)cc1 18036648 RIOZOASPCSFDHC-VHEBQXMUSA-N 327.181 5.723 10 40 EKCB O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1ccccc1O 211353460 VHSXUCRUAKLJFC-XSFVSMFZSA-N 340.378 5.041 10 40 EKCB Cc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc1 409165158 UACQIXPDFBOADR-VKJFTORMSA-N 329.365 5.840 10 40 EKCB Cc1ccc(C)c([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)c1 408736139 HSUIJPKUMXUQCB-BIENJYKASA-N 344.285 6.437 10 40 EKCB CCOc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 6935676 JZLBYRZUPPYQMQ-TXPKVOOTSA-N 325.839 5.565 10 40 EKCB Cc1cccc(Cl)c1/N=N\c1c(C)nc(N)nc1-c1ccccc1 16951211 APIQMGJNWOHEBI-VHXPQNKSSA-N 337.814 5.411 10 40 EKCB CCN1C=C/C(=C\c2ccc3cc(C)ccc3[n+]2CC)c2ccccc21 4178580 GCZBXQZAWKSXKU-UHFFFAOYSA-N 341.478 5.350 10 40 EKCB Cc1cc2nc(/C=C/c3ccc(N4CCCCC4)cc3)sc2cc1C 5934782 JSLFDAZSXOMZDI-DHZHZOJOSA-N 348.515 6.074 10 40 EKCB Cc1ccc(Cl)c2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 4320929 JOGOJDAYENVHIR-DOXZYTNZSA-N 339.822 5.173 10 40 EKCB Cc1cc(Br)cc(/N=N/c2cccc3ccccc23)c1O 4657154 GKLZHXSFWWNFHU-FMQUCBEESA-N 341.208 6.032 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 5536834 GWTKXDBWMKGEHN-YZVOILCLSA-N 340.810 5.383 10 40 EKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccccc1 33818220 XRVGUIZOIKWVIC-XDJHFCHBSA-N 340.378 5.460 10 40 EKCB c1ccc(-c2ccc(/N=N\c3ccc(-c4ccccc4)cc3)cc2)cc1 100212905 KXXMEJSOPZIZAD-QPLCGJKRSA-N 334.422 7.436 10 40 EKCB CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 1408608 RWGOYNCGDIHCFK-DBXWQHBBSA-N 333.431 5.335 10 40 EKCB Fc1cccc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 5243043 FJVYZNUTOQCQBB-BWACUDIHSA-N 333.328 5.671 10 40 EKCB CC(C)c1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1 13615174 VDVBCWXUQYUOGF-ATVHPVEESA-N 345.533 5.344 10 40 EKCB Fc1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21 409150787 DRRBOMYDEVHTAG-VNBZBWLYSA-N 334.221 5.959 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4183915 XRFOGCLJQPTYEP-QMTMVMCOSA-N 340.810 5.383 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 4498455 GWTBAIHFEJIJHZ-VBQJREDUSA-N 326.783 5.075 10 40 EKCB CC(=C/c1ccccc1)/C=C1\SC(Nc2ccc(C)cc2C)=NC1=O 5850456 PDFYMQPBFCWICH-MLBUPBODSA-N 348.471 5.332 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 20699405 KSMYSCWVYCPUTL-GPMSIDNRSA-N 340.810 5.383 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 59267149 CXZMNIBQLKPBQI-VKJFTORMSA-N 340.264 5.584 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@@H]21 226731581 DAAKVIHLYVAONQ-XQBPLPMBSA-N 348.446 5.853 10 40 EKCB FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@H]21 409152597 KJERCJOYANCGAH-PSTGCABASA-N 349.783 6.185 10 40 EKCB CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1cccc(C)c1C 1878923 XTPAZRMNSUKYIE-UHFFFAOYSA-O 343.903 5.736 10 40 EKCB Cc1cc(C)c2c(c1)N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 4309778 JKDMOWOSUDQFLW-AVYPCKFXSA-N 344.285 6.437 10 40 EKCB CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 5633635 PNYVCWWLDSTXRU-LQWHRVPQSA-N 334.419 5.545 10 40 EKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 4363090 VBRRXVCEHHNNNO-BWACUDIHSA-N 343.785 5.004 10 40 EKCB CCc1ccc2oc(-c3ccc(OCc4ccc(N)cc4)cc3)nc2c1 226294710 WNKPNLWWMGGWNX-UHFFFAOYSA-N 344.414 5.218 10 40 EKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 13764578 RYGLAPVZTGQRFT-CJLVFECKSA-N 338.410 5.160 10 40 EKCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2c(C)noc2C)cc1 102324313 YJERPWFXSOVECT-GHVJWSGMSA-N 348.406 5.576 10 40 EKCB CC(C)c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1 226707050 ZGGMOSBLBPCHOK-GPXNEJASSA-N 339.482 6.790 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 409153420 HYPRJHPVTSLJHW-CPUCHLNUSA-N 326.783 5.075 10 40 EKCB CN(C)c1ccc(/C=C/N=N/c2ccc(Br)cc2)cc1 13282671 CFLNSXZUTJPSKS-UAHTYSLZSA-N 330.229 5.270 10 40 EKCB CCCCCCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 2666875 GWYQBHCPIIFPGO-LGMDPLHJSA-N 347.549 5.592 10 40 EKCB Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1ccc(Cl)cc1 6961650 NMBNFMSPPJYYBS-UHFFFAOYSA-N 338.863 6.024 10 40 EKCB Cc1c(Cl)cccc1NC(=O)c1cccc(-n2c(C)ccc2C)c1 7468135 ZXISYQZILPRJKW-UHFFFAOYSA-N 338.838 5.308 10 40 EKCB c1ccc(Cc2[nH]nc(-c3ccccc3)c2/N=N/c2ccccc2)cc1 18101737 PRIKJSKWEINIFC-WNAAXNPUSA-N 338.414 6.083 10 40 EKCB Cc1ccc2nc(-c3ccc(C)o3)c(Nc3cccc(Cl)c3)n2c1 35616230 BNZJERMPJUOKHO-UHFFFAOYSA-N 337.810 5.608 10 40 EKCB CCc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 409159646 RQAVFWBJOKADEC-NBQZKYEYSA-N 344.285 6.382 10 40 EKCB Cc1cccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]32)c1 37613803 IZUOHUNJPKZQET-GLJUWKHASA-N 339.822 5.173 10 40 EKCB Cc1cc(C)c2c(c1)N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21 6962653 YNWKTZSODGXJPZ-AVYPCKFXSA-N 343.392 6.149 10 40 EKCB Cc1ccc(Cl)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 7468142 RJSHCTLUBNVUGC-UHFFFAOYSA-N 338.838 5.308 10 40 EKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)ccc1Cl 226736286 GJRRXPCSCIKNIM-PEBVRCNWSA-N 344.773 5.214 10 40 EKCB C1=C[C@@H]2c3c(ccc4ccccc34)N[C@H](c3cccc4ccccc34)[C@@H]2C1 4321257 KXJJUWSWIKOUNP-POGFHVCPSA-N 347.461 6.820 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2 4321263 DXRNIHSFUZJKKE-LRXVAGHRSA-N 342.398 5.575 10 40 EKCB O=C(Nc1c2ccccc2nc2ccccc12)c1ccc(Cl)cc1 4871453 LRDVNPLNINXXLZ-UHFFFAOYSA-N 332.790 5.294 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 58929320 UNEOWVZKSSJVKI-PEBVRCNWSA-N 326.783 5.075 10 40 EKCB CC(C)c1ccc2c(c1)CCCN2Cc1c(O)ccc2ccccc12 89893467 PRXYVAQCMBWFPA-UHFFFAOYSA-N 331.459 5.622 10 40 EKCB Fc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 16949829 FJVYZNUTOQCQBB-JKDFXYPNSA-N 333.328 5.671 10 40 EKCB FC(F)(F)Oc1ccc(C2Nc3cccc4cccc(c34)N2)cc1 70453988 PZUXWYADBJEMTE-UHFFFAOYSA-N 330.309 5.275 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(ccc3ccccc23)[C@@H]2C=CC[C@@H]21 226893398 HUMCEGZJYXGFIV-IEGUWTFLSA-N 327.427 5.675 10 40 EKCB CC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccccc3Cl)c2C1 6708987 CJVQLNSRZJDGGD-UHFFFAOYSA-N 349.861 5.953 10 40 EKCB CCc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 6944794 RQAVFWBJOKADEC-IIMJZQEZSA-N 344.285 6.382 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 14471660 IIZDTBJJAVTGMF-QMTMVMCOSA-N 340.810 5.383 10 40 EKCB Clc1ccc(Cl)c(/N=N/Nc2cc(Cl)ccc2Cl)c1 17354831 IXFYOYIBCYZWJS-UHFFFAOYSA-N 335.021 6.411 10 40 EKCB Fc1cccc(Cl)c1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@@H]21 58850728 JXEVDMSTRZUZSI-KWFDTGPKSA-N 334.221 5.959 10 40 EKCB Oc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 15276168 HBESOAZVTUCMGT-PBFPGSCMSA-N 332.230 5.526 10 40 EKCB COc1ccc(-c2cnc(SCc3cccc(Cl)c3)n2C)cc1 7423746 ZJWNDMGYWBIUNY-UHFFFAOYSA-N 344.867 5.041 10 40 EKCB COc1ccccc1/N=N/c1c(-c2ccccc2)cc2ccccn12 18191729 XPJJDPJHYWNVBK-GHVJWSGMSA-N 327.387 6.030 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 20713481 FGDCYLBYXWWYPQ-XPIZARPCSA-N 334.419 5.545 10 40 EKCB Fc1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 32121226 UTTKTVCBGPKFFE-CKEIUWERSA-N 344.227 5.415 10 40 EKCB Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 20712210 XHXRXCFZSQMDRF-MDOVXXIYSA-N 344.285 6.437 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 226744681 UNEOWVZKSSJVKI-QFSBIZTOSA-N 326.783 5.075 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 409151095 ABXYIXFQCGWGNI-JZKQVHKSSA-N 344.285 6.382 10 40 EKCB CCCC[C@@H](CC)CN1C(=O)/C(=C\c2ccc(C)o2)SC1=S 5862476 VIFJAQHNQASWNL-QQFZQELXSA-N 337.510 5.006 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc1 6966466 CXZMNIBQLKPBQI-MPGHIAIKSA-N 340.264 5.584 10 40 EKCB Fc1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 7092775 FBIMYVXCMDIONZ-VEVIJQCQSA-N 333.328 5.671 10 40 EKCB COc1ccc(-c2nc([C@H]3CC=CCC3)[nH]c2-c2ccccc2)cc1 8914978 NFKMQXTUJUIJCI-SFHVURJKSA-N 330.431 5.576 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC3CSC3)cc1)N2 36080595 UXHGQKGLFJNKKT-DXIQSLLYSA-N 349.499 5.316 10 40 EKCB FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 409166827 GHNPBGOGXGMWNP-RVKKMQEKSA-N 349.783 6.185 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@H]21 8336056 PADBRLDYNQFHRI-CNNODRBYSA-N 337.894 6.598 10 40 EKCB Fc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 4286315 IFPNQZNVTLNVKT-ZQIUZPCESA-N 334.221 5.959 10 40 EKCB O=C(c1cc2c(cc1/N=N/c1ccc(Cl)cc1)OCCO2)C1CC1 20096411 GSLANQZSOXUARP-QZQOTICOSA-N 342.782 5.119 10 40 EKCB Cc1ccc(Cl)c2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 226676249 SUOMDRVXSVDQSS-VCBZYWHSSA-N 330.258 6.128 10 40 EKCB N=C(N)c1ccc(/N=N/c2cc(/N=N/c3ccccc3)ccc2O)cc1 5518718 NKLDVTYKPPGNGG-BQASJOSNSA-N 344.378 5.507 10 40 EKCB in-vivo O=[N+]([O-])c1cc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)ccc1Cl 14470595 CXPAZWNIFRNBBB-LXIYXOSZSA-N 344.773 5.214 10 40 EKCB COc1cccc(-n2c(C)ccc2-c2ccc(OC(F)(F)F)cc2)c1 199732870 XOGKOFVQDICYNQ-UHFFFAOYSA-N 347.336 5.360 10 40 EKCB O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@H]21 4866571 NJPIZHHLAIMUSN-JCGVRSQUSA-N 326.783 5.075 10 40 EKCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)cc1C 575014 LSNFQPUKBQJVJH-FYJGNVAPSA-N 342.442 5.204 10 40 EKCB COc1ccccc1CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 6274792 OVDYNNQZENCENP-WCWDXBQESA-N 345.402 5.292 10 40 EKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 6962713 GDKBNKSMMDICMP-LAPQFRIASA-N 344.285 6.437 10 40 EKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)ccc1Cl 14470847 GJRRXPCSCIKNIM-PRXAMGSTSA-N 344.773 5.214 10 40 EKCB CC(=O)c1ccc(/N=N\c2ccc(N3Cc4ccccc4C3)cc2)cc1 104260831 DOJCRFBRKUBSNL-VHXPQNKSSA-N 341.414 5.825 10 40 EKCB CN(C)c1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1 6381379 ICAYWZVOQUDCDT-UHFFFAOYSA-N 345.471 5.538 10 40 EKCB Fc1cccc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 6528313 QNFUZBQMMRSRRW-JKDFXYPNSA-N 334.221 5.959 10 40 EKCB Nc1ccc2cc3ccccc3cc2c1/N=N\c1ccc([N+](=O)[O-])cc1 104260524 HAHAZTBWZBDHQZ-FCQUAONHSA-N 342.358 5.899 10 40 EKCB O=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccccc1 408977183 UTEZOYHXCBQUDI-UHFFFAOYSA-N 349.393 5.189 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@@H]2C=CC[C@@H]21 409156898 UDASVPTYZHGHNG-VAXXYWNWSA-N 341.429 6.319 10 40 EKCB CC[n+]1c(-c2ccc(C)cc2)csc1Nc1ccc(Cl)cc1 1878927 QUVSJMSSMNSCDP-UHFFFAOYSA-O 329.876 5.428 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)c1 4975199 AKDONNMSBGSFAF-ZJNRKIDTSA-N 344.773 5.214 10 40 EKCB c1ccc2c(NC[C@H]3CCCN4CCCC[C@H]34)c3ccccc3nc2c1 5875735 FPAWCCDZRXZGTH-VGOFRKELSA-N 345.490 5.064 10 40 EKCB Cc1ccc(NC(=S)Nc2ccccc2C(=O)c2ccccc2)cc1 13812678 PBYQSRVTNZQXIN-UHFFFAOYSA-N 346.455 5.035 10 40 EKCB CCc1ccccc1-n1c(C)ccc1-c1ccc(Br)cc1 408968488 ZNEKPEPWXPSLMM-UHFFFAOYSA-N 340.264 5.778 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)cc1 6324073 IWNUEZBTQIZNSA-QKLQHJQFSA-N 339.429 6.089 10 40 EKCB Cc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 6966456 MMLBRMONMFCDPB-FBLLAGFSSA-N 337.466 6.489 10 40 EKCB CCOc1cccc(CNc2ccc(Cl)c(C(F)(F)F)c2)c1O 44836443 FNUBFASTODOORD-UHFFFAOYSA-N 345.748 5.075 10 40 EKCB Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 5740256 BSTCQUUIQSJXHQ-ZRGWGRIASA-N 340.810 5.383 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)c1 13389367 FEBOSHKPJVMMLR-DFHBCGBQSA-N 326.783 5.075 10 40 EKCB Cc1ccc(C)c(C2=C/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)c1 33922184 HKLPEXJCMNSEAX-UKTHLTGXSA-N 345.225 5.592 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 409171514 CRWHCJBYGMSYQE-OPYAIIAOSA-N 337.894 6.464 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1 197877 VSARUIOGNCPGGS-DAYGRLMNSA-N 344.227 5.415 10 40 EKCB CN(C)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 13207619 BUEZUAOVMMOSGA-UHFFFAOYSA-N 337.426 5.602 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 14477437 FZIAMMPTPHHNMO-FHSNZYRGSA-N 334.221 5.959 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 14471657 IIZDTBJJAVTGMF-YZVOILCLSA-N 340.810 5.383 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2 6962858 OXUZNLHCHBBKQR-PJIJBLCYSA-N 338.382 5.177 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 7096703 ITZUDXBPACTJRD-DPLHUUCSSA-N 341.429 6.319 10 40 EKCB COc1ccc(Cl)c2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 408737361 MNAGXDNOYCTADO-GLJUWKHASA-N 346.257 5.829 10 40 EKCB Cc1ccc(Cl)c2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 226732817 KUGHXMAWGLLHJQ-VCBZYWHSSA-N 330.258 6.128 10 40 EKCB CCOc1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1 226866663 ZKWVYVWFHOVMEI-GIWBLDEGSA-N 341.454 6.065 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 8371318 RNBVETHUSVWMBL-JMERFSKESA-N 330.258 6.128 10 40 EKCB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)CN=[N+]=[N-] 122115047 NUOUFIXLUAPRPT-PAPWGAKMSA-N 331.504 5.461 10 40 EKCB CN(C)Cc1cc(C(C)(C)CC(C)(C)C)cc(C2CCCCC2)c1O 1599853 LKZNVXYACGLYGY-UHFFFAOYSA-N 345.571 6.215 10 40 EKCB CCCCOc1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1 206277125 BCVUWEZOEIEBDG-RGEXLXHISA-N 334.415 5.155 10 40 EKCB Cc1cc(N=Nc2ccccc2)c(C(C)C)cc1N=Nc1ccccc1 245238758 AOCSNOPVOYYRAN-UHFFFAOYSA-N 342.446 7.949 10 40 EKCB Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 4501469 BSTCQUUIQSJXHQ-VCBZYWHSSA-N 340.810 5.383 10 40 EKCB Fc1cccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)c1 6970118 HDJQUGUPWOYXIM-MPGHIAIKSA-N 344.227 5.415 10 40 EKCB COc1cc2c(cc1NC[C@@H]1CC1(Cl)Cl)oc1ccccc12 32899537 GUUQODAESLRYAI-JTQLQIEISA-N 336.218 5.200 10 40 EKCB Cc1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 408737669 UIIQEGMGTFYZCU-ZUEVXXBESA-N 330.258 6.128 10 40 EKCB Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1ccc(N(C)C)cc1 6961719 DPISEKIVKHQVMY-UHFFFAOYSA-N 347.487 5.437 10 40 EKCB Fc1cccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@H]32)c1 7097747 MZLAPNHWIUXPHX-XJUOHMSHSA-N 341.429 6.319 10 40 EKCB Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(C)c2C)cc1 94833 URKAHCOPFWIFHT-UHFFFAOYSA-N 333.431 5.087 10 40 EKCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 1416356 FTECXPRLNJWMNX-GZTJUZNOSA-N 339.485 5.018 10 40 EKCB O=[N+]([O-])c1ccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1 4156795 XYVREAVYUWSPEO-JJRVBVJISA-N 326.783 5.075 10 40 EKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 226829169 GDKBNKSMMDICMP-CKNLXJGOSA-N 344.285 6.437 10 40 EKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 14477421 NIFBZZKVAAEENM-QEEYODRMSA-N 344.285 6.437 10 40 EKCB Cc1cc2c(cc1/N=N/c1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2 100816027 ISOLDHAMKHKUIN-VIQONRLZSA-N 338.411 6.016 10 40 EKCB Cc1cc(Br)ccc1-n1c(C)ccc1-c1ccccc1 8413358 PPMRLCKXNORKBU-UHFFFAOYSA-N 326.237 5.524 10 40 EKCB Cc1ccc(C)c2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 409152617 KNMFIPDIGZBKAN-SIFCLUCFSA-N 343.392 6.149 10 40 EKCB Brc1cccc(/N=N\c2cccc(Br)c2)c1 100187061 VEVQNDVHZNOSHX-NXVVXOECSA-N 340.018 5.627 10 40 EKCB CC[C@@H](C)N1C(C)=CC(=Cc2sc3ccccc3[n+]2CC)C=C1C 3179365 LVCYYMOOYNXYJI-OAHLLOKOSA-N 339.528 5.514 10 40 EKCB O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1cccs1 136457244 FMCSQOMKBGAXPA-QGOAFFKASA-N 330.408 5.396 10 40 EKCB Fc1cccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)c1 409158587 XRSOVDKRHLOLFY-GLJUWKHASA-N 334.221 5.959 10 40 EKCB COc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)c1 20755016 IZPTXHVCHQTKPX-RKVPGOIHSA-N 346.257 5.829 10 40 EKCB O=C1OC(c2cccc3ccccc23)=C/C1=C/c1ccccc1Cl 408723294 STNPMHKBFFFHKM-VBKFSLOCSA-N 332.786 5.475 10 40 EKCB CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1c[nH]c2ccccc12 35622961 GCNHAQAGDDCUNT-AQTBWJFISA-N 343.430 5.000 10 40 EKCB S=C(C=C1S[C@H]2CCCC[C@@H]2S1)c1ccc(Cl)cc1 2179614 VNUQLXKQHQYYAB-KBPBESRZSA-N 326.939 5.691 10 40 EKCB COc1ccccc1-n1c(C)ccc1-c1ccc(Br)cc1 408965553 IRKQWCWGCIDGGY-UHFFFAOYSA-N 342.236 5.224 10 40 EKCB O=C1c2ccccc2-c2onc3ccc(NCCC4=CCCCC4)c1c23 508080 BADWLDURXXIJGJ-UHFFFAOYSA-N 344.414 5.342 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc1 1026802 BCFPQQDDNLGFIC-VKJFTORMSA-N 349.327 5.551 10 40 EKCB Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 4501468 RPWYODFGQXXUKX-VCBZYWHSSA-N 340.810 5.383 10 40 EKCB C/C(=C\Nc1ccccc1)C(=S)c1ccc(Br)cc1 16136515 QWHFGOUZVFXSAJ-VAWYXSNFSA-N 332.266 5.183 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 409168820 NVPQHMFPMZWZGE-BWACUDIHSA-N 344.773 5.214 10 40 EKCB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC(C)C)cc1)N2 58928658 UMCNBJHXBCNAAK-QTEQDKRBSA-N 347.458 5.503 10 40 EKCB Nc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1 226294749 HTGJDPNRPNDPRH-UHFFFAOYSA-N 332.428 5.125 10 40 EKCB Cc1ccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)cc1 139102606 UHXJAOJSBRHWEC-UHFFFAOYSA-N 329.443 5.608 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 409156754 TTWBDPRUKCQTGC-GPMSIDNRSA-N 330.258 6.128 10 40 EKCB CCCCN(C)/N=N/c1c(-c2ccccc2)n[nH]c1-c1ccccc1 104127871 OOIXUXQTRGSHMH-WCWDXBQESA-N 333.439 5.474 10 40 EKCB Cc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 226672600 HRNBFWCPTFPHIK-GJYPPUQNSA-N 340.264 5.584 10 40 EKCB COc1ccc2c(c1)CCc1c-2n(-c2ccccc2)c2ccccc12 1236487 AXRFELJBEXBSFY-UHFFFAOYSA-N 325.411 5.405 10 40 EKCB CCn1c2ccccc2c2ccc(/N=N/c3ccc(N(C)C)cc3)cc21 18155576 DQMSBDWRHXIVML-WCWDXBQESA-N 342.446 6.296 10 40 EKCB Cc1ccc(-n2cnc3cc(NCc4ccc(Cl)cc4)ccc32)cc1 233944 GLNSAOTWGWQURG-UHFFFAOYSA-N 347.849 5.599 10 40 EKCB Oc1ccccc1C1=NNC2(CCCCCCCCCCC2)S1 3176573 DRBAGGUHMYMHOF-UHFFFAOYSA-N 332.513 5.391 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 409171211 ZJHAXPIFBUMFEH-PBFPGSCMSA-N 344.773 5.214 10 40 EKCB COc1ccc(-n2c(-c3ccc(C)cc3)cc3c2C[C@@H](C)CC3=O)cc1 2512792 LSPHITCDWYSHPG-MRXNPFEDSA-N 345.442 5.226 10 40 EKCB Cc1cc(N(C)C)ccc1/N=N/c1c(C)c(C)c([N+](=O)[O-])c(C)c1C 4774658 MSPOEHLRWULPPV-QZQOTICOSA-N 340.427 5.618 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@H]21 6963478 DAAKVIHLYVAONQ-CNNODRBYSA-N 348.446 5.853 10 40 EKCB Cc1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@H]32)cc1 20058202 PUHNXMQLZRMICU-HLIPFELVSA-N 334.419 5.347 10 40 EKCB Cc1ccc(C)c2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 409152618 KNMFIPDIGZBKAN-SXGZJXTBSA-N 343.392 6.149 10 40 EKCB C1=C[C@H]2c3cc(Oc4ccccc4)ccc3N[C@@H](c3ccccc3)[C@H]2C1 408736032 BDWGKDMCWWITBO-DPLHUUCSSA-N 339.438 6.305 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 409153423 HYPRJHPVTSLJHW-JKIFEVAISA-N 326.783 5.075 10 40 EKCB Cc1ccc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)cc1 408726385 RDVIKEDGJIHSRW-MTJSOVHGSA-N 326.395 5.438 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 7097066 ITZUDXBPACTJRD-HFMPRLQTSA-N 341.429 6.319 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 59267148 CXZMNIBQLKPBQI-RKVPGOIHSA-N 340.264 5.584 10 40 EKCB Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccc(Cl)cc1Cl 225326700 ZWAJMHNXBMZVCW-UHFFFAOYSA-N 336.140 5.146 10 40 EKCB Fc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)c1 409162709 HDJQUGUPWOYXIM-RKVPGOIHSA-N 344.227 5.415 10 40 EKCB COc1ccc(CNc2ccc(/N=N/c3ccccc3)cc2)cc1OC 72334068 JGEHKQISTOJMMU-WCWDXBQESA-N 347.418 5.731 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 20295446 GWTKXDBWMKGEHN-ZRGWGRIASA-N 340.810 5.383 10 40 EKCB CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C/C=C\c1ccccc1 100302678 BJEBBXQAQBREAV-LPDGQVOVSA-N 330.431 5.075 10 40 EKCB O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc2ccccc2c1 408951379 TWUSXMANCFHCTK-UHFFFAOYSA-N 341.410 5.315 10 40 EKCB COc1cc(Cl)cc2c1Sc1ccccc1/C2=C/CCN(C)C 33306244 KXECCBGQPJGJGD-ZSOIEALJSA-N 345.895 5.197 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc1 409173521 JGCGIDODUGVBGX-UWVAXJGDSA-N 348.446 5.719 10 40 EKCB Fc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@@H]32)cc1 4718767 SVIXQZGYDRQRMJ-DCGLDWPTSA-N 334.221 5.959 10 40 EKCB Cc1ccc([C@@H]2Nc3c(cc(Cl)cc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)cc1 6214892 BDITUEXWDHOJFJ-VKJFTORMSA-N 340.810 5.383 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58929002 WIQDDCQTFLPECL-IGCXYCKISA-N 326.783 5.075 10 40 EKCB CCCCc1ccc(/N=N/c2ccc(OC(=O)CC(C)C)cc2)cc1 3848689 ZCGSDADZAOOOHB-GHVJWSGMSA-N 338.451 6.396 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)c1 4975196 AKDONNMSBGSFAF-VEVIJQCQSA-N 344.773 5.214 10 40 EKCB CCc1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 6944863 ZYOSNOKLQQTJQL-AKCHCHLHSA-N 344.285 6.382 10 40 EKCB Cc1cc(C2Nc3cccc4cccc(c34)N2)c(C)n1Cc1ccco1 70453949 KLWJITIQPAAHAL-UHFFFAOYSA-N 343.430 5.436 10 40 EKCB CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1 100302684 BJEBBXQAQBREAV-JLEGNJKJSA-N 330.431 5.075 10 40 EKCB Oc1nc2ccccc2c(O)c1/N=N\c1cccc(C(F)(F)F)c1 104045345 ORYPRHGBFOTRPT-DQRAZIAOSA-N 333.269 5.080 10 40 EKCB Oc1c([C@H](Nc2ccccc2)c2ccccc2)ccc2cccnc12 37823 OTNAVATYWOEDMK-HXUWFJFHSA-N 326.399 5.142 10 40 EKCB OC1=NC(=S)S/C1=C/c1cc(/N=N/c2ccccc2)ccc1O 3900314 KTPJNMCGSNXXTD-VJUOCIDTSA-N 341.417 5.137 10 40 EKCB COc1ccc(N2COc3ccc(/N=N/c4ccccc4)cc3C2)cc1 4116425 MBRAMSKXQPRQKT-GHVJWSGMSA-N 345.402 5.467 10 40 EKCB CCc1ccc(/N=N/c2c(F)c(F)c(N(C)C)c(F)c2F)cc1 18069010 WURNNCUOZCORLT-QURGRASLSA-N 325.309 5.287 10 40 EKCB FC(F)Oc1ccc(Cl)cc1C1Nc2cccc3cccc(c23)N1 70453958 OGCVZJPDECXZOL-UHFFFAOYSA-N 346.764 5.631 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21 409165240 VDUDVYLAZNSNCE-WJPUGNRLSA-N 333.431 5.335 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@H]21 6955667 UVIJTESVECERER-VEVIJQCQSA-N 345.364 5.541 10 40 EKCB CCc1ccc(/N=N\c2c(F)c(F)c(NC(C)=O)c(F)c2F)cc1 104091538 QKTHHZWMKXATSB-FCQUAONHSA-N 339.292 5.179 10 40 EKCB CC(C)c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc1 6347623 DTJDNEADVADQGH-QKLQHJQFSA-N 334.419 5.545 10 40 EKCB CCC(C)(C)c1cc(CN2CCCCC2)c(O)c(C(C)(C)CC)c1 1662241 LXMNZWODXSOCHS-UHFFFAOYSA-N 331.544 5.753 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 6944000 DADDUHAYNSSTBF-SXGZJXTBSA-N 344.285 6.382 10 40 EKCB CCN(C)c1cccc(NC(=O)c2ccccc2-c2ccccc2)c1 58157422 LHJGGQDGKZHBPF-UHFFFAOYSA-N 330.431 5.062 10 40 EKCB Cc1ccc(-c2ccc(-c3cccc(Cl)c3)o2)n1-c1ccccc1 199746417 NMMYMYDQXDFTOF-UHFFFAOYSA-N 333.818 6.366 10 40 EKCB Fc1cc(Br)cc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 409167567 IQWJWWZBPUIEQD-JKIFEVAISA-N 344.227 5.415 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 4623291 QOIJPAQWTJOHSL-JKIFEVAISA-N 326.783 5.075 10 40 EKCB CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 4758437 QXCVXDWBEVDVHY-QKLQHJQFSA-N 325.839 5.565 10 40 EKCB CC[n+]1c(-c2ccc(Cl)cc2)csc1Nc1ccc(C)cc1 26570101 CCWWJOFXZBVECC-UHFFFAOYSA-O 329.876 5.428 10 40 EKCB CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1 33939513 BJEBBXQAQBREAV-CUZICJGVSA-N 330.431 5.075 10 40 EKCB [O-]/[N+](=N\c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 96191671 XQZPHFBWWQUCRC-DQRAZIAOSA-N 334.219 5.650 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21 409158616 XSPQCFVVYLTAPN-NQCMUKECSA-N 339.822 5.173 10 40 EKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 2478171 XIMHWDQOXFCVJX-IGCXYCKISA-N 343.785 5.004 10 40 EKCB Fc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@H]32)cc1 7097723 CTJQJNQDWWSJDB-XJUOHMSHSA-N 341.429 6.319 10 40 EKCB COc1ccc(NC(=O)Nc2c3ccccc3nc3ccccc23)cc1 4830953 UQAVJXFBFYYDFK-UHFFFAOYSA-N 343.386 5.041 10 40 EKCB Fc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)cc1 6971352 YDGZALBXLXGXFA-VBQJREDUSA-N 344.227 5.415 10 40 EKCB Clc1cccc(Nc2c(-c3ccco3)nc3ccc(Cl)cn23)c1 35616172 CNCADUHLHMDHLA-UHFFFAOYSA-N 344.201 5.645 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 409171702 FLKFTUMRESLJJL-GPMSIDNRSA-N 340.810 5.383 10 40 EKCB Fc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@H]32)cc1 197866 SVIXQZGYDRQRMJ-AHIWAGSCSA-N 334.221 5.959 10 40 EKCB Cc1ccc(C2=C/C(=C3\Cc4cccc5cccc3c45)C(=O)O2)c(C)c1 1439284 UJUZXCKZQFPEMT-MRCUWXFGSA-N 338.406 5.364 10 40 EKCB Cc1ccc(C)n1-c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72216789 SVAYTTYVPQLFDH-JOCHJYFZSA-N 345.490 5.216 10 40 EKCB CN(C)c1ccc(/N=N\c2ccc3c4c(cccc24)-c2ccccc2-3)cc1 104202388 BCUQMDVAURETHX-QPLCGJKRSA-N 349.437 6.969 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 5536842 GWTKXDBWMKGEHN-QMTMVMCOSA-N 340.810 5.383 10 40 EKCB Fc1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 4658868 UTTKTVCBGPKFFE-KEYYUXOJSA-N 344.227 5.415 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 6721372 LZPULCMYARCGBK-YZVOILCLSA-N 339.822 5.173 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 8276534 KNELOOYDIZEVJM-YZVOILCLSA-N 330.258 6.128 10 40 EKCB c1ccc(/N=N\c2cnc(-c3ccccc3)nc2-c2ccco2)cc1 100430352 GMWMPDMGQSHDIK-VHXPQNKSSA-N 326.359 5.819 10 40 EKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1S 408965055 GAIPIHJXGGZUFK-UHFFFAOYSA-N 344.277 5.504 10 40 EKCB CCc1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)cc1 409154047 FQOOELCVCYXFEV-LQWHRVPQSA-N 348.446 5.601 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 409157701 WIQDDCQTFLPECL-PBFPGSCMSA-N 326.783 5.075 10 40 EKCB CSc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 58850596 RRWOCPHFEXOOPF-GJYPPUQNSA-N 327.880 5.888 10 40 EKCB Fc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 13600847 IFPNQZNVTLNVKT-CPUCHLNUSA-N 334.221 5.959 10 40 EKCB CCCCCN(CCCCC)Cc1cc(Cl)c2cccnc2c1O 21486589 CGBMAQBSVNGNBR-UHFFFAOYSA-N 348.918 5.776 10 40 EKCB biogenic CC1(C)CC2=Nc3ccccc3N[C@H](c3ccccc3O)C2=C(O)C1 101901660 YIUOPUMQKIHLQP-HXUWFJFHSA-N 334.419 5.264 10 40 EKCB Cc1ccc(C2=C/C(=C\c3c(O)ccc4ccccc34)C(=O)O2)c(C)c1 409054113 RLDKXXPLGUGVJI-SFQUDFHCSA-N 342.394 5.144 10 40 EKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 4172177 LPMBESPHZMRLCH-GJYPPUQNSA-N 339.822 5.173 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 409152577 JOWOWNWIHNARPN-DAYGRLMNSA-N 340.810 5.383 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 409155460 PXNGAYRBTNVDIF-VFVRVIDISA-N 333.328 5.671 10 40 EKCB CCCCN1C(C)=CC(=Cc2sc3ccccc3[n+]2CC)C=C1C 5503556 CNUIBMYAKBDLIT-UHFFFAOYSA-N 339.528 5.515 10 40 EKCB O=[N+]([O-])c1ccccc1[C@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@H]21 302459 KBMHBMPVHXODCA-JKDFXYPNSA-N 326.783 5.075 10 40 EKCB CC(C)CC[C@H]1C[C@@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 100499954 YTEMARBLDWMTHY-QOTVRNNISA-N 335.451 6.113 10 40 EKCB COc1ccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)cc1 60355 LNGJYRFOURFRFZ-UHFFFAOYSA-N 345.442 5.308 10 40 EKCB biogenic CCCCN1c2cc(OC)c(CNC(C)C)cc2[C@@H](C)CC1(C)C 223790838 PRIXULSRIMWGQZ-INIZCTEOSA-N 332.532 5.086 10 40 EKCB Cc1cccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)c1 32189221 IZUOHUNJPKZQET-IYOUNJFTSA-N 339.822 5.173 10 40 EKCB Cc1ccc(-c2ccccc2C(F)(F)F)n1-c1ccc(C(C)C)cc1 199733685 BIVCXFGEJPREKI-UHFFFAOYSA-N 343.392 6.595 10 40 EKCB Cc1ccc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1 409058121 RKVUFULKPAHEAL-PXLXIMEGSA-N 338.406 5.643 10 40 EKCB C(=C/c1nc(-c2ccccc2)cs1)\c1ccc(N2CCCCC2)cc1 12536559 SYGRIPBNCVHYOF-SDNWHVSQSA-N 346.499 5.971 10 40 EKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@H]32)ccc1Cl 250851855 CXPAZWNIFRNBBB-VFVRVIDISA-N 344.773 5.214 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 409161706 YSMZVRGYUNOZES-UWVAXJGDSA-N 337.894 6.464 10 40 EKCB Cc1ccccc1/N=N/C(C(=O)c1ccccc1)C(=O)c1ccccc1 102977539 URUHRRSCTBUPDX-WCWDXBQESA-N 342.398 5.213 10 40 EKCB Cc1ccccc1/N=N\c1ccc(/N=N\c2ccc(O)cc2O)c(C)c1 104366909 IEAVHKYXMGYCCH-ICHHBZPXSA-N 346.390 6.545 10 40 EKCB Cc1ccc2c(c1C)N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 408737122 KDXZXNZBWXKPFN-SIFCLUCFSA-N 344.285 6.437 10 40 EKCB CN(Cc1c(O)ccc2ccccc12)Cc1c(O)ccc2ccccc12 4706015 GVMWKDGCAWXZTK-UHFFFAOYSA-N 343.426 5.036 10 40 EKCB Cc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 409171158 YHWZSPFORQQEOH-PJFSTRORSA-N 330.258 6.128 10 40 EKCB CC(/C=C1\SC(=S)N(C2CCCCC2)C1=O)=C\c1ccccc1 13776859 XKSQHZXDDYGMGP-PZAFVPBJSA-N 343.517 5.167 10 40 EKCB O=C(Nc1cccc(Cl)c1)Nc1c2ccccc2nc2ccccc12 19015422 GMHBGNXMMPBWGJ-UHFFFAOYSA-N 347.805 5.685 10 40 EKCB Fc1ccc([C@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@H]32)cc1 4718765 SVIXQZGYDRQRMJ-OGHNNQOOSA-N 334.221 5.959 10 40 EKCB COc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)c1 14550095 IZPTXHVCHQTKPX-DAYGRLMNSA-N 346.257 5.829 10 40 EKCB CCCCOc1ccc(/C=C2\C=C(c3ccc(C)c(C)c3)OC2=O)cc1 409060421 ZVCUELCOMHDKSD-XSFVSMFZSA-N 348.442 5.464 10 40 EKCB CCc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 409164023 BGRULYLJWHWHBB-KPHUOKFYSA-N 344.285 6.382 10 40 EKCB Cc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc1 20692008 IOCGWRQQDHGLNY-CLCXKQKWSA-N 330.258 6.128 10 40 EKCB Cc1ccc(C2=C/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)c(C)c1 34106351 HMRNHPRMIFEDOX-RIYZIHGNSA-N 345.225 5.592 10 40 EKCB Fc1cccc(Cl)c1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@@H]21 58850592 CAMIKJRMSWQDPL-FTLABTOESA-N 334.221 5.959 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 409161594 WEZLBKIVUDIZDD-PBFPGSCMSA-N 344.773 5.214 10 40 EKCB O=C(O)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21 4714347 YSSDNCFNJKGWHI-YRISNDGFSA-N 341.410 5.365 10 40 EKCB C[C@@]12C(=O)c3ccccc3C(=O)[C@H]1[C@H]1CCCCC1=C1CCCC[C@@H]12 5181350 IKKHLNNPRCUHEM-GJPCKUABSA-N 334.459 5.379 10 40 EKCB 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Cc1cc(C)c2c(c1)N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 13634754 JKDMOWOSUDQFLW-SIFCLUCFSA-N 344.285 6.437 10 40 EKCB CCN(CC)c1ccc(/C=C(\C)c2nc3cc(Cl)ccc3[nH]2)cc1 17014656 XJIJZZBPKWKBDO-WYMLVPIESA-N 339.870 5.623 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 229953920 ZVATYNIUFRUSQL-JTDSTZFVSA-N 340.264 5.584 10 40 EKCB Cc1cc(C)c2c(c1)N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 409162218 YNWKTZSODGXJPZ-SXGZJXTBSA-N 343.392 6.149 10 40 EKCB CSc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 58850980 FGZDSVVZQGCJLJ-GJYPPUQNSA-N 338.432 5.143 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 409160153 PTPKBGAIRBMCOK-JTDSTZFVSA-N 338.382 5.177 10 40 EKCB N=C(N)c1ccc(/N=N\c2cc(/N=N/c3ccccc3)ccc2O)cc1 104231119 NKLDVTYKPPGNGG-KUXGFVDGSA-N 344.378 5.507 10 40 EKCB Cc1ccc(/N=N/c2cc3c4c(cccc4c2N)-c2ccccc2-3)cc1 5258561 IRIHZMXIUCPUNZ-OCEACIFDSA-N 335.410 6.793 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 58850807 ALBLFGDPHYUUOA-FHSNZYRGSA-N 344.227 5.415 10 40 EKCB Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2 1017691 OBNCSWAOEBOXHV-ZWCUEREDSA-N 331.846 6.320 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 8276786 YXPCAYLZZRDPFE-QMTMVMCOSA-N 330.258 6.128 10 40 EKCB Cc1ccccc1Nc1c(-c2ccccn2)nc2ccc(Cl)cn12 201206 URIJSQKQBIFLLA-UHFFFAOYSA-N 334.810 5.102 10 40 EKCB Oc1ccc(/N=N/c2ccc(Br)cc2)c2ccccc12 18156135 DFWSNPWQTITSLU-VHEBQXMUSA-N 327.181 5.723 10 40 EKCB CCn1c(-c2ccc(OC)cc2)cnc1SCc1ccc(F)cc1 44085632 GUSDXROLBZOQEU-UHFFFAOYSA-N 342.439 5.010 10 40 EKCB Cc1ccc(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)cc1 6966500 AVWBRVPNFSXHGY-NRFANRHFSA-N 347.487 5.099 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 6963514 KSMYSCWVYCPUTL-FRQCXROJSA-N 340.810 5.383 10 40 EKCB CCc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)cc1 409156716 GUWAUZSWBMUJSI-VCBZYWHSSA-N 344.285 6.382 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc1 15218684 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Cc1c(Cl)cccc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 7468129 GZWUJTMUDUDBGE-UHFFFAOYSA-N 338.838 5.308 10 40 EKCB Cc1ccc(C)n1-c1ccc(OC(=O)c2ccc3ccccc3c2)cc1 408738082 IUEDKCCQAOKVHV-UHFFFAOYSA-N 341.410 5.467 10 40 EKCB CCc1ccc(/N=N\c2ccc(-c3ccc(NC(C)=O)cc3)cc2)cc1 104089618 NXVVPPAUEPHMJZ-IZHYLOQSSA-N 343.430 6.290 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)cc1 409161701 YSMZVRGYUNOZES-HLIPFELVSA-N 337.894 6.464 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc1 4661123 DCLASWZOVIRYAF-MPGHIAIKSA-N 333.328 5.671 10 40 EKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)ccc1Cl 7098193 ZRLFFZYGBOWOLT-WRSAYESZSA-N 326.783 5.075 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 6943914 DADDUHAYNSSTBF-SIFCLUCFSA-N 344.285 6.382 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 409163686 WIIBDLVLCILWFT-LQWHRVPQSA-N 348.446 5.719 10 40 EKCB CCc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1 6943691 DAAWXZHTYYZPFN-BXWFABGCSA-N 343.392 6.094 10 40 EKCB Cc1ccccc1-n1c(C)cc([C@@H]2NN=C(c3ccccc3)S2)c1C 6969367 NRLAIOPPRDXQOM-OAQYLSRUSA-N 347.487 5.099 10 40 EKCB Fc1ccc(-c2nc(C3CCCCC3)[nH]c2-c2ccc(F)cc2)cc1 548874 UWIQWVBSRZOAEC-UHFFFAOYSA-N 338.401 6.070 10 40 EKCB CCc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc1 8087369 ULIJJUQFYSLWEE-YRNRMSPPSA-N 344.285 6.382 10 40 EKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1Cl 408968238 XMNYALMCJCDPDP-UHFFFAOYSA-N 346.655 5.869 10 40 EKCB CCCN(CCC)c1ccc(/N=N/c2ccccc2C(=O)O)cc1 3894832 LIIDWKDFORMMDQ-QZQOTICOSA-N 325.412 5.427 10 40 EKCB O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 36080786 GXMLEMDQLWITRI-GRDNDAEWSA-N 344.773 5.214 10 40 EKCB COc1cccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)c1 409168969 OIVDMALOADVGGF-GJYPPUQNSA-N 345.364 5.541 10 40 EKCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2 14463699 DKKDJYZWZIUTAI-IZIIKQMZSA-N 341.454 6.065 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 101130413 VSARUIOGNCPGGS-VKJFTORMSA-N 344.227 5.415 10 40 EKCB CCc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 409154676 KRAHTRWGCRSXBT-VCBZYWHSSA-N 344.285 6.382 10 40 EKCB Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 296137 BVWHDELMXLOWLL-SOZUMNATSA-N 331.246 5.402 10 40 EKCB Brc1ccccc1N=Nc1ccccc1Br 263605213 PLBYCASTSHVECW-UHFFFAOYSA-N 340.018 5.627 10 40 EKCB COc1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 409151078 AAIIZNBFPYTRHH-SNUQEOBHSA-N 346.257 5.829 10 40 EKCB Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 227157498 XLIMAUZUXMCVTL-UHFFFAOYSA-N 347.201 5.088 10 40 EKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@H]21 4181764 KBMHBMPVHXODCA-XWCIJXRUSA-N 326.783 5.075 10 40 EKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 408968499 ZSPYSGQXLKFFII-UHFFFAOYSA-N 330.200 5.354 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21 20059027 DARCHSDNEVZDJJ-QWFCFKBJSA-N 333.431 5.335 10 40 EKCB Cc1ccc(C(=O)c2ccccc2NC(=S)Nc2ccccc2)cc1 385916 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COc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1OC 226859228 SZRIAAROGNMWPW-TYILLQQXSA-N 341.838 5.184 10 40 EKCB c1ccc(/N=N/c2c(OC[C@H]3CCCNC3)ccc3ccccc23)cc1 100058843 ZQHRCSGRGBEING-QDVZYSMTSA-N 345.446 5.634 10 40 EKCB Cc1ccc(/C=C2\SC(Nc3ccc4ccccc4c3)=NC2=O)cc1 5584002 STMONKONLHGOSP-UNOMPAQXSA-N 344.439 5.231 10 40 EKCB COc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1 6848106 IZPTXHVCHQTKPX-VKJFTORMSA-N 346.257 5.829 10 40 EKCB CCCN(CCC)/N=N/c1c(-c2ccccc2)n[nH]c1-c1ccccc1 104127854 XVMIRGXLNBXHKN-OCOZRVBESA-N 347.466 5.864 10 40 EKCB Cc1cc(-c2csc(N)n2)c(C)n1-c1ccc(Cl)c(Cl)c1 3335993 SPMHUFMDOBXEMK-UHFFFAOYSA-N 338.263 5.107 10 40 EKCB in-vitro Cc1ccc(C)c(-c2[nH]c(C3CCCCC3)nc2-c2ccccc2)c1 4909589 GTISPKOFSCKIBX-UHFFFAOYSA-N 330.475 6.408 10 40 EKCB CCCCOc1ccc(N=[N+]([O-])c2ccc(OCCCC)cc2)cc1 299888309 DWRXFZDFCLDVQG-UHFFFAOYSA-N 342.439 5.970 10 40 EKCB c1ccc(/N=N/c2ccc(Nc3nc4ccccc4s3)cc2)cc1 17951202 SOMCPFZQSDWBLK-GHVJWSGMSA-N 330.416 6.455 10 40 EKCB CCN(CC)c1ccc(/C=C\c2ccc3cc(C)ccc3[n+]2CC)cc1 4522530 UFSQBUFCXOJMIA-UHFFFAOYSA-N 345.510 5.472 10 40 EKCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1 226789530 WXEVQSIAUHAZPR-DYXWJJEUSA-N 342.398 5.575 10 40 EKCB CC(C)c1ccc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)cc1 408722922 OKMXNPLZCNQWRM-ZHZULCJRSA-N 340.422 5.945 10 40 EKCB Cc1ccc(N2COc3ccc(/N=N/c4ccccc4)cc3C2)cc1 4817392 RWJWCGPVBNNLCW-GHVJWSGMSA-N 329.403 5.767 10 40 EKCB CCn1c2ccccc2c2cc(/N=N/c3cc4ccccc4[nH]3)ccc21 104208632 QGCIMZUXOFTJDI-OCOZRVBESA-N 338.414 6.711 10 40 EKCB CCOC(=O)Nc1cc2ccccc2c(/N=N\c2ccccc2)c1O 104250053 GRKADAZUWRLCSL-DQRAZIAOSA-N 335.363 5.529 10 40 EKCB Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 4112561 MYYNCBWMQYJPGO-VEVIJQCQSA-N 331.246 5.402 10 40 EKCB Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 4348236 BVWHDELMXLOWLL-IUUKEHGRSA-N 331.246 5.402 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@H]21 7092847 KSTBWQDYGITTJK-XWCIJXRUSA-N 344.227 5.415 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(F)cccc1Cl)N2 58850976 OPXWQAXOSANMTP-FTLABTOESA-N 344.773 5.214 10 40 EKCB COc1cccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)c1 226900355 DGYYEJMNWSGRLY-URVUXULASA-N 327.427 5.675 10 40 EKCB Cc1cc(CO)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 9264356 KZFWSWACZZPUTO-UHFFFAOYSA-N 335.491 5.054 10 40 EKCB Fc1cccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@H]32)c1 409159822 VDAPGRSFKLRFKI-XNJGSVPQSA-N 334.221 5.959 10 40 EKCB Cc1ccc(-n2c(C)cc([C@@H]3NN=C(c4ccccc4)S3)c2C)cc1 6966499 AVWBRVPNFSXHGY-OAQYLSRUSA-N 347.487 5.099 10 40 EKCB N=C(N)c1ccc(/N=N\c2cc(/C=C\c3ccccc3)ccc2O)cc1 104231131 HKRFQXBNVMEPED-ZAGDRFNGSA-N 342.402 5.262 10 40 EKCB Cc1ccc2nc(-c3ccc(C)o3)c(Nc3ccc(Cl)cc3)n2c1 426800 UFTBXTUKAKCNAF-UHFFFAOYSA-N 337.810 5.608 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 14477501 JABZQUBEGGXNJJ-BIENJYKASA-N 330.258 6.128 10 40 EKCB [N-]=[N+]=NCCCCCCCCCCCN1C(=O)c2ccccc2C1=O 1775971226 YHRXXVUCBNCHHT-UHFFFAOYSA-N 342.443 5.104 10 40 EKCB Brc1cccc(Nc2c3ccccc3nc3ccccc23)c1 4358607 GECSCZAXMGZROI-UHFFFAOYSA-N 349.231 5.894 10 40 EKCB COc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 409162774 HOFHYZAOUOUXBO-TXPKVOOTSA-N 325.839 5.484 10 40 EKCB Cc1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 5495453 SUYRYQPXJMNDTI-UHFFFAOYSA-N 344.502 5.307 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 409160152 PTPKBGAIRBMCOK-GPMSIDNRSA-N 338.382 5.177 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)cc1 6324146 BXEMYFIDOUOVGK-WFXMLNOXSA-N 347.458 5.509 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@H]21 4690188 XYISEQVAWNYYNK-YZVOILCLSA-N 339.822 5.173 10 40 EKCB C1=C[C@@H]2c3c(ccc4ccccc34)N[C@@H](c3cccc4ccccc34)[C@H]2C1 4321259 KXJJUWSWIKOUNP-KJOQGJGQSA-N 347.461 6.820 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 409152525 FQKTVOPZWNGMLL-IYOUNJFTSA-N 340.810 5.383 10 40 EKCB COc1c(C(C)(C)C(C)C)c2nc3ccccc3nc2c2ccccc12 68601963 FKGZYYVXWSHGFI-UHFFFAOYSA-N 344.458 5.878 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@H]32)c1 409151898 CONBKWJIBOYFGK-XNJGSVPQSA-N 334.221 5.959 10 40 EKCB O=C1/C(=C/c2ccc3ccccc3c2)SC(=S)N1c1ccccc1 1001035 ZXXZLGOFTGGZOG-AQTBWJFISA-N 347.464 5.246 10 40 EKCB C[C@@H]1N(C)c2ccc(/C=C/c3nc4ccccc4s3)cc2C1(C)C 5173890 CNQWFRBCZOAYME-WONIAPNHSA-N 334.488 5.583 10 40 EKCB CCN(CC)c1ccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1 6869661 CJMXVXYMYBVBPL-UUVJWNOVSA-N 340.555 5.371 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 36081175 FYGICWNDGQPAPI-KNOQFWTLSA-N 337.466 6.073 10 40 EKCB COc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OC(C)C 70453935 JVHFGFFQBIPUCF-UHFFFAOYSA-N 334.419 5.172 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2 4321265 DXRNIHSFUZJKKE-LQBOVUBWSA-N 342.398 5.575 10 40 EKCB O=C(O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 103558665 XIMHWDQOXFCVJX-IIYDPXPESA-N 343.785 5.004 10 40 EKCB C1=C[C@H]2c3ccc4ccccc4c3N[C@@H](c3ccc4c(c3)OCO4)[C@H]2C1 408736217 MBOSOKOXRUGTLU-FGSXEWAUSA-N 341.410 5.395 10 40 EKCB Cc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 103323612 IYDZVZFHUWPZEE-DHDCSXOGSA-N 345.876 5.054 10 40 EKCB CCOc1ccc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)cc1 408722098 DNVCRMRANVVMSA-JXAWBTAJSA-N 342.394 5.220 10 40 EKCB CSc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc1 14551757 FPCBZUPOYVDTCX-LQWHRVPQSA-N 335.472 5.438 10 40 EKCB CCCCCC[n+]1c(-c2ccccc2)csc1Nc1ccccc1 2676775 XHCNCWPBQPUGMV-UHFFFAOYSA-O 337.512 6.027 10 40 EKCB COc1cccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@@H]32)c1 8336125 FOFCCIQLSTUKHL-ZWOKBUDYSA-N 325.839 5.484 10 40 EKCB Cc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 409163150 MMLBRMONMFCDPB-RQTOMXEWSA-N 337.466 6.489 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)c1 302474 FEBOSHKPJVMMLR-RVZJWNSFSA-N 326.783 5.075 10 40 EKCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2ccc(C)cc2)cc1 4674804 OTESCQBFCZUSFB-OCOZRVBESA-N 343.430 6.280 10 40 EKCB Fc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 4719708 VSARUIOGNCPGGS-RLFYNMQTSA-N 344.227 5.415 10 40 EKCB Cc1ccc(Nc2c(-c3ccccn3)nc3ccc(Cl)cn23)cc1 201207 PRTLUAWESRXQKJ-UHFFFAOYSA-N 334.810 5.102 10 40 EKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@@H]21 6275633 ORPLRCWQJZYHQC-DXIQSLLYSA-N 347.458 5.643 10 40 EKCB CC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3cccc(Cl)c3)c2C1 16605245 QOGZVVOWWHDZGT-UHFFFAOYSA-N 349.861 5.953 10 40 EKCB Clc1cccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)c1 226724895 HETXMVXQMTUNRZ-DYXWJJEUSA-N 331.846 6.320 10 40 EKCB Cc1nc2ccc(/N=N/c3c(C)nn(-c4ccccc4)c3O)cc2s1 5753274 ZFOHANXHGJFBTK-QZQOTICOSA-N 349.419 5.220 10 40 EKCB Cc1cc(C)c2c(c1)N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 6962646 CVHGTFHKJMDSPF-YRVVQQKDSA-N 344.285 6.437 10 40 EKCB CC(=O)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 408974844 HKRQSVAYSZSQGC-UHFFFAOYSA-N 338.366 5.015 10 40 EKCB Cc1ccccc1/N=N\c1ccc(/N=N\c2ccc(N)nc2N)c(C)c1 104229762 ZWQHEBNEUHKFCC-RUFRKCMOSA-N 345.410 5.694 10 40 EKCB CCCCOc1ccc(/C=C2\C=C(c3ccc(C)cc3C)OC2=O)cc1 409052905 BKJLMHWALGWULZ-XMHGGMMESA-N 348.442 5.464 10 40 EKCB Cc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 9188713 TYCLKUPMRHIHSC-GDNBJRDFSA-N 345.876 5.054 10 40 EKCB CCN(CC)CC/C=C1\c2ccccc2Sc2ccc(Cl)cc21 31361172 UPHGTYDNGXFISV-CXUHLZMHSA-N 343.923 5.968 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 4719710 VSARUIOGNCPGGS-MPGHIAIKSA-N 344.227 5.415 10 40 EKCB CCCCC(=O)Oc1ccc(/N=N/c2ccc(CCCC)cc2)cc1 3848686 VQOHPPNHNSMNDN-GHVJWSGMSA-N 338.451 6.540 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 58929023 WEZLBKIVUDIZDD-IIYDPXPESA-N 344.773 5.214 10 40 EKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(C)c(C)c1 112113936 GCUWLHGHVLOWHG-FXBPSFAMSA-N 347.462 5.192 10 40 EKCB Clc1ccc(-c2nc(C3CCCCC3)[nH]c2-c2ccccc2)cc1 5729594 FKILTKOLPFHQLO-UHFFFAOYSA-N 336.866 6.445 10 40 EKCB Cc1cccc(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)c1 6967817 CYCZMSQVPHTNHV-NRFANRHFSA-N 347.487 5.099 10 40 EKCB C1=C[C@H]2c3ccccc3N[C@@H](c3ccc(OC4CSC4)cc3)[C@H]2C1 36080585 HBAMQFMOHKAIGE-CUWPLCDZSA-N 335.472 5.007 10 40 EKCB Cc1ccc(C)n1-c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72216788 SVAYTTYVPQLFDH-QFIPXVFZSA-N 345.490 5.216 10 40 EKCB Cc1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1C 408967747 UKFOKLOLFHBZEN-UHFFFAOYSA-N 340.264 5.832 10 40 EKCB CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 4140486 OXQOEHFBIMXJJM-BXTJHSDWSA-N 325.839 5.565 10 40 EKCB CCc1ccc([C@@H]2Nc3c(ccc(C(=O)OC)c3C)[C@H]3C=CC[C@@H]32)cc1 6943673 RCBPDMMUWLMOCC-IPJJNNNSSA-N 347.458 5.171 10 40 EKCB COc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@H]32)c1 20755362 NCVJEFCEEDKRDR-LBTNJELSSA-N 346.257 5.829 10 40 EKCB Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2 101125368 OBNCSWAOEBOXHV-LZNRXBQRSA-N 331.846 6.320 10 40 EKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1 408965142 HAWCKZGGCXDKNV-UHFFFAOYSA-N 346.655 5.869 10 40 EKCB CC(C)(C)c1cc(Br)c(O)c(CNc2ccccc2)c1 1680954 CEMWOIWYHCKGAD-UHFFFAOYSA-N 334.257 5.064 10 40 EKCB Cc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 20711341 MRKUSDUSHRZHGD-MNVSYLFESA-N 344.285 6.437 10 40 EKCB Clc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)cc1 4309485 UKVXEQUUZSTQOW-DXIQSLLYSA-N 331.846 6.320 10 40 EKCB Cc1ccc(-c2ccc(F)c(Cl)c2)n1-c1ccc(C(C)C)cc1 199743735 SCBMGZOWYCMFFR-UHFFFAOYSA-N 327.830 6.369 10 40 EKCB O=[N+]([O-])c1cccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)c1 4492020 QTCBVCMEJTUCSW-RLFYNMQTSA-N 326.783 5.075 10 40 EKCB Cc1cc2c(cc1/N=N\c1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2 4774679 ISOLDHAMKHKUIN-MPKYYTFTSA-N 338.411 6.016 10 40 EKCB CCCN(CCC)c1ccc(/N=N\c2ccccc2C(=O)O)cc1 33246169 LIIDWKDFORMMDQ-MRCUWXFGSA-N 325.412 5.427 10 40 EKCB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 226838120 UZHGAKDYGWGITB-NQCMUKECSA-N 346.257 5.829 10 40 EKCB CN(C)c1ccc(/C=C\N=N\c2ccc(Br)cc2)cc1 13282672 CFLNSXZUTJPSKS-JVGYGJGRSA-N 330.229 5.270 10 40 EKCB S=C1/C(=C/Nc2ccc(Br)cc2)Sc2ccccc21 100056632 HCCFGDBONKKKNX-ZROIWOOFSA-N 348.290 5.226 10 40 EKCB COc1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 3998632 HUEJRZIDSOSUHH-VNBZBWLYSA-N 346.257 5.829 10 40 EKCB COc1cc(/N=N\c2ccc3c(c2)Cc2ccccc2-3)c(OC)cc1N 104084172 VKXWFCLAWFAWPO-VHXPQNKSSA-N 345.402 5.273 10 40 EKCB CC[C@H](C)N1C(C)=CC(=Cc2sc3ccccc3[n+]2CC)C=C1C 3179366 LVCYYMOOYNXYJI-HNNXBMFYSA-N 339.528 5.514 10 40 EKCB CCn1c2ccccc2c2cc(/N=N\c3cc4ccccc4[nH]3)ccc21 104208628 QGCIMZUXOFTJDI-IZHYLOQSSA-N 338.414 6.711 10 40 EKCB CCCOc1ccc(-c2ccc(C)n2-c2ccc(N(C)C)cc2)cc1 228928868 WEDTWJKUADOBFN-UHFFFAOYSA-N 334.463 5.308 10 40 EKCB C1=C[C@H]2c3ccccc3N[C@@H](c3cccc(OC4CSC4)c3)[C@H]2C1 4151373 YNTGJDVQAGJDTA-CUWPLCDZSA-N 335.472 5.007 10 40 EKCB CCN(CC)c1ccc(/C=C\c2cc(C)c3cc(C)ccc3n2)cc1 8581118 GLWRYJUYFWCCNB-FLIBITNWSA-N 330.475 5.868 10 40 EKCB Fc1cccc(Cl)c1CNc1ccc(Nc2ccccc2)cc1 16490528 MDONGWLKDCBJFJ-UHFFFAOYSA-N 326.802 5.835 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 4718506 ONJUTHIWGVUHNE-HDMKZQKVSA-N 326.783 5.075 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 6944024 XUWXYHSBSSCURJ-STXHMFSFSA-N 344.285 6.382 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 8336074 CFOKWBYRLKCLIJ-NJSLBKSFSA-N 330.258 6.128 10 40 EKCB Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 20712201 XHXRXCFZSQMDRF-SIFCLUCFSA-N 344.285 6.437 10 40 EKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(Cl)cc1 4426175 HIQRVAVFPXJGND-ZROIWOOFSA-N 349.242 5.076 10 40 EKCB CCc1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@@H]32)cc1 6943589 FQOOELCVCYXFEV-WFXMLNOXSA-N 348.446 5.601 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 8371323 KXSLNEFGMGVLOH-JMERFSKESA-N 340.810 5.383 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 409163687 WIIBDLVLCILWFT-OPYAIIAOSA-N 348.446 5.719 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 6943957 ABXYIXFQCGWGNI-LAPQFRIASA-N 344.285 6.382 10 40 EKCB CCc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@H]2c1ccccc1O 17072562 SIRZIHWJQKFKPI-SFHVURJKSA-N 349.409 5.043 10 40 EKCB C1=C[C@H]2c3ccccc3N[C@@H](c3cccc(OC4CSC4)c3)[C@@H]2C1 4151375 YNTGJDVQAGJDTA-DSKINZAPSA-N 335.472 5.007 10 40 EKCB Cc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 6968694 IIFXGXUGZVTJEC-MUKKUYKPSA-N 329.365 5.840 10 40 EKCB CCCOc1ccc(C2Nc3cccc4cccc(c34)N2)cc1OC 70453936 TZPFJSHKWKXUQO-UHFFFAOYSA-N 334.419 5.173 10 40 EKCB Nc1ncc(/N=N\c2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1 100425543 WFDANDRDWSZUTF-IZHYLOQSSA-N 343.312 5.160 10 40 EKCB COc1ccc(Cl)c2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@@H]21 4362921 JQRBCYRXMJSMHL-GLJUWKHASA-N 329.802 5.314 10 40 EKCB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 6954235 JFAGLZABTTXQKF-PJIJBLCYSA-N 345.364 5.541 10 40 EKCB Cc1cccn2c(Nc3ccc(C(C)C)cc3)c(-c3ccccn3)nc12 201169 SLTIWWHPZXONNJ-UHFFFAOYSA-N 342.446 5.572 10 40 EKCB Clc1ccc(CNc2ccc3c(c2)ncn3C2CCCCC2)cc1 4901570 VBOANDZMUZGJFT-UHFFFAOYSA-N 339.870 5.807 10 40 EKCB Cc1ccn2c(Nc3ccc(C(C)C)cc3)c(-c3ccco3)nc2c1 426782 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10 40 EKCB Oc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 95351622 GDVLXNQFILRYQG-OCOZRVBESA-N 340.386 5.865 10 40 EKCB COc1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1 408966746 NVWHSAKULQRXNX-UHFFFAOYSA-N 342.236 5.224 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 6943978 LDVSISJNFFENMD-QEEYODRMSA-N 343.392 6.094 10 40 EKCB CCc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc1 409163924 ZRAOADWHLOUMSP-UWVAXJGDSA-N 343.392 6.094 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)c1 4975236 VBHKJPDDOFQAHX-PRXAMGSTSA-N 344.773 5.214 10 40 EKCB Cc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 409159045 MJSOHUMANNVPFL-ZBQZNYHESA-N 340.810 5.383 10 40 EKCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)c(C)c1 4868982 YKRNFADFCFXGBS-MHWRWJLKSA-N 342.851 5.039 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@H]32)c1 6970112 FYAHHTVADVIBRK-VBQJREDUSA-N 344.227 5.415 10 40 EKCB Clc1ccc(Nc2c3ccccc3nc3ccccc23)cc1Cl 3909555 LPETYCFVRJJRIU-UHFFFAOYSA-N 339.225 6.438 10 40 EKCB CCc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 8087380 KWNDRZWYSBJIJA-FCEWJHQRSA-N 344.285 6.382 10 40 EKCB COc1cccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@H]3C=CC[C@H]32)c1 8336155 FOFCCIQLSTUKHL-QKLQHJQFSA-N 325.839 5.484 10 40 EKCB Oc1cc2c(cc1CN1CCC[C@@H](C(F)(F)F)C1)oc1ccccc12 57535379 CWAIJMMWEOSQDA-CYBMUJFWSA-N 349.352 5.066 10 40 EKCB Cc1cccc2c1N[C@@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@@H]21 58928521 OEGBGGXGQYSVRB-VCOUNFBDSA-N 349.499 5.316 10 40 EKCB Cc1cc(/N=N/c2ccccc2C)ccc1/N=N\c1ccc(O)cc1O 104366914 IEAVHKYXMGYCCH-ZCAPXNBXSA-N 346.390 6.545 10 40 EKCB C[C@]12C(=O)c3ccccc3C(=O)[C@H]1[C@H]1CCCCC1=C1CCCC[C@@H]12 5181348 IKKHLNNPRCUHEM-XATUQGEJSA-N 334.459 5.379 10 40 EKCB Cc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 5371173 CMQKBFHXJIZRBL-BOPFTXTBSA-N 339.485 5.018 10 40 EKCB CN(C)c1ccc(/N=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 96191716 NXFIDTMHRKWVNL-OCOZRVBESA-N 341.418 5.711 10 40 EKCB Cc1ccc(C)c(C2=C/C(=C\c3c(O)ccc4ccccc34)C(=O)O2)c1 409055527 ZDTIWSNUUYELGL-SFQUDFHCSA-N 342.394 5.144 10 40 EKCB CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@H](c1ccccc1O)N2 4498713 UVCNDDNTCQRUKV-IBGZPJMESA-N 325.452 5.490 10 40 EKCB Cc1ccc2c(c1S/C(Cl)=C\Cl)C(=O)c1ccccc1C2=O 13403395 IDWQMGIDWXFRRP-JYRVWZFOSA-N 349.238 5.139 10 40 EKCB COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 970817 OAORQAINFAGFIL-IQUTYRLHSA-N 346.257 5.829 10 40 EKCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCC1CCCC1 16450873 YTEHFPLUGAWFDE-PWFSRHFBSA-N 343.517 5.024 10 40 EKCB CCCN1C(C)=CC(=Cc2sc3ccccc3[n+]2CC)C=C1C 26770994 FTXQCHIUVCGMFQ-UHFFFAOYSA-N 325.501 5.125 10 40 EKCB CCCCN1c2cc(Cl)c(CNC(C)C)cc2[C@@H](C)CC1(C)C 223789878 RDNGRWFQFIMYCE-HNNXBMFYSA-N 336.951 5.730 10 40 EKCB CC(C)(C)OC(=O)NCCCCCCCCCCCCN=[N+]=[N-] 1542984427 LWDCZEHAJMAHHK-UHFFFAOYSA-N 326.485 5.722 10 40 EKCB CC[n+]1c(/C=C2\C=Cc3cccc(C)c3N2C)sc2ccccc21 4123265 GCMCNRXQNUVCJZ-UHFFFAOYSA-N 333.480 5.021 10 40 EKCB O=C(CCOc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 5858927 LYIOBNDUWDZQQL-WCWDXBQESA-N 345.402 5.510 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 20694936 YXPCAYLZZRDPFE-SPYBWZPUSA-N 330.258 6.128 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 409152578 JOWOWNWIHNARPN-MPGHIAIKSA-N 340.810 5.383 10 40 EKCB Cc1cc(-c2csc(-c3ccccc3)n2)c(C)n1-c1ccccc1 3206391 VNXLZGVDKQRIDY-UHFFFAOYSA-N 330.456 5.885 10 40 EKCB Oc1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 101708884 ATEQMZYYZRYXHI-OCOZRVBESA-N 340.386 5.865 10 40 EKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2ccccc2)C1=O 4645163 OIXVUAZKSWKCJB-SWZGKVDCSA-N 337.469 5.039 10 40 EKCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 1450835 KPTZVDTVGZIFAC-GDNBJRDFSA-N 345.876 5.054 10 40 EKCB COc1ccc(Cl)c2c1N[C@H](c1cccc(F)c1)[C@H]1CC=C[C@H]21 8115858 GUBWJSHDWVKGDJ-SUNYJGFJSA-N 329.802 5.314 10 40 EKCB Fc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 16949827 FJVYZNUTOQCQBB-QFSBIZTOSA-N 333.328 5.671 10 40 EKCB Cc1ccc2c(c1C)N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 6967084 XXOISNXVPYLOOM-YRVVQQKDSA-N 344.285 6.437 10 40 EKCB O=C(Nc1ccccc1)c1ccc2nc3ccc4ccccc4c3nc2c1 408721274 GFIYIQDGDGIUGN-UHFFFAOYSA-N 349.393 5.189 10 40 EKCB Oc1ccccc1C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1 4419765 FWCUYPZPXATWFB-FQEVSTJZSA-N 348.833 5.401 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1 6324173 YSMZVRGYUNOZES-ZWOKBUDYSA-N 337.894 6.464 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 20699414 KNELOOYDIZEVJM-ZRGWGRIASA-N 330.258 6.128 10 40 EKCB O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1ccccc1Cl 408722752 MWLJAVUEEKQTPY-PDGQHHTCSA-N 332.786 5.475 10 40 EKCB Cc1ccc(C2=C/C(=C\c3cccc4ccccc34)C(=O)O2)c(C)c1 409055497 IYGIVMXANOAYSO-CPNJWEJPSA-N 326.395 5.438 10 40 EKCB Cc1ccc(C)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl 2638145 HJIXWPDYYFFCOQ-UHFFFAOYSA-N 344.241 5.632 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)c1 4959507 FEBOSHKPJVMMLR-UVBSCNOISA-N 326.783 5.075 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 4690191 XYISEQVAWNYYNK-QMTMVMCOSA-N 339.822 5.173 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 4623288 QOIJPAQWTJOHSL-GRDNDAEWSA-N 326.783 5.075 10 40 EKCB CCOc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 20695082 JZLBYRZUPPYQMQ-GPMSIDNRSA-N 325.839 5.565 10 40 EKCB Fc1cccc(Cl)c1[C@@H]1Nc2c(ccc3ccccc23)[C@@H]2C=CC[C@@H]21 58851019 MISVXKKHLYLUQH-ZMPRRUGASA-N 349.836 6.459 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 4713380 ZVATYNIUFRUSQL-MDZRGWNJSA-N 340.264 5.584 10 40 EKCB C[C@]12C(=O)c3ccccc3C(=O)[C@H]1[C@H]1CCCCC1=C1CCCC[C@H]12 5181345 IKKHLNNPRCUHEM-FDSZKQNJSA-N 334.459 5.379 10 40 EKCB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 14546578 CQCLFCZVPLBWLL-QHRIQVFBSA-N 346.257 5.829 10 40 EKCB Cc1cccc2nc(-c3ccco3)c(Nc3ccc(C(C)C)cc3)n12 426765 ZSDHZVBTWUAUDV-UHFFFAOYSA-N 331.419 5.770 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 6962810 PTPKBGAIRBMCOK-GJYPPUQNSA-N 338.382 5.177 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 409167345 IGYGTCPQRYWSBI-JTDSTZFVSA-N 330.258 6.128 10 40 EKCB Cc1cccc(C)c1Nc1c(-c2ccccn2)nc2c(C)cccn12 201172 UUJCCYUBRXDUEN-UHFFFAOYSA-N 328.419 5.065 10 40 EKCB c1ccc(Cc2[nH]nc(-c3ccccc3)c2/N=N\c2ccccc2)cc1 104129688 PRIKJSKWEINIFC-RWEWTDSWSA-N 338.414 6.083 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 4168325 DARCHSDNEVZDJJ-NLWGTHIKSA-N 333.431 5.335 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 5337711 CDXYLJKHFQKHMA-VLXJIEOASA-N 330.258 6.128 10 40 EKCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)c1 226748027 DRXABWVRGDLOCX-DYXWJJEUSA-N 342.398 5.575 10 40 EKCB Brc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 7096296 CXGVSJUNEWDUKZ-JJRVBVJISA-N 326.237 5.276 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21 12628212 XYISEQVAWNYYNK-SPYBWZPUSA-N 339.822 5.173 10 40 EKCB CN(C)c1ccc(/N=N/c2ccc3c4c(cccc24)-c2ccccc2-3)cc1 18102015 BCUQMDVAURETHX-OCEACIFDSA-N 349.437 6.969 10 40 EKCB Cc1ccccc1/N=N\c1ccc(/N=N/c2ccc(O)cc2O)c(C)c1 104366917 IEAVHKYXMGYCCH-KATZTRTISA-N 346.390 6.545 10 40 EKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@H]21 229884945 KBMHBMPVHXODCA-PSTGCABASA-N 326.783 5.075 10 40 EKCB COc1ccc(Cl)c2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@@H]21 409151427 GUBWJSHDWVKGDJ-HBUWYVDXSA-N 329.802 5.314 10 40 EKCB Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 4348239 BVWHDELMXLOWLL-OAVHHTNSSA-N 331.246 5.402 10 40 EKCB CC(=O)c1ccc(/N=N/c2ccc(N3Cc4ccccc4C3)cc2)cc1 4774677 DOJCRFBRKUBSNL-WCWDXBQESA-N 341.414 5.825 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 8336060 QVSLMHWONDMOKI-TXPKVOOTSA-N 340.810 5.383 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 20713478 FGDCYLBYXWWYPQ-WJPUGNRLSA-N 334.419 5.545 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 34118365 CSENCKNYCFJEOY-TYILLQQXSA-N 340.264 5.584 10 40 EKCB Fc1cc(Br)cc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21 409167564 IQWJWWZBPUIEQD-JJRVBVJISA-N 344.227 5.415 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 4713378 ZVATYNIUFRUSQL-GJYPPUQNSA-N 340.264 5.584 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@@H]32)c1 14165856 VBHKJPDDOFQAHX-BWACUDIHSA-N 344.773 5.214 10 40 EKCB COc1cccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)c1 139102332 TXXDVFUXUBZCAK-UHFFFAOYSA-N 345.442 5.308 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)c1 409151895 CONBKWJIBOYFGK-IGCXYCKISA-N 334.221 5.959 10 40 EKCB Cc1ccc(-c2ccccc2C(F)(F)F)n1-c1ccc(N(C)C)cc1 228928396 DUXDCSQXZNLXEY-UHFFFAOYSA-N 344.380 5.538 10 40 EKCB Oc1c(/N=N/c2ccccc2)c2ccccc2c2ccc3ccccc3c12 18059006 FPYVIHBFSAEKPV-OCEACIFDSA-N 348.405 7.267 10 40 EKCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 94397 OXQOEHFBIMXJJM-SIFCLUCFSA-N 325.839 5.565 10 40 EKCB CCN(CC)c1ccc(/C=C2/C=C(c3ccc(C)c(C)c3)OC2=O)cc1 408973832 CBNAZOZPDGUBEZ-ZHZULCJRSA-N 347.458 5.131 10 40 EKCB Cc1ccc(C(=O)C(=O)C(c2ccccc2)c2ccccc2)c(Cl)c1 409204807 KUFXDMKNOBVTNC-UHFFFAOYSA-N 348.829 5.232 10 40 EKCB O=C(/C=C/c1ccccn1)Nc1ccc(/N=N/c2ccccc2)cc1 84517696 QOUMQCIWDRDHDN-KFGDZIEPSA-N 328.375 5.149 10 40 EKCB COc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 226779799 BVBBYUSNFKCYLO-VKJFTORMSA-N 346.257 5.829 10 40 EKCB CN(C)CC/C=C1/c2ccccc2Sc2ccc(C(F)(F)F)cc21 1713966 XVQXETRXWKTQSQ-AUWJEWJLSA-N 349.421 5.553 10 40 EKCB Cc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc1 14458335 IOCGWRQQDHGLNY-KHYOSLBOSA-N 330.258 6.128 10 40 EKCB Cc1cc(C)c2c(c1)N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 6962669 YNWKTZSODGXJPZ-MDOVXXIYSA-N 343.392 6.149 10 40 EKCB Fc1cccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)c1 7097658 MZLAPNHWIUXPHX-FUDKSRODSA-N 341.429 6.319 10 40 EKCB Cc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 20711338 MRKUSDUSHRZHGD-JZKQVHKSSA-N 344.285 6.437 10 40 EKCB Cc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 409167511 IIFXGXUGZVTJEC-RFUYNDQBSA-N 329.365 5.840 10 40 EKCB Oc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1 359730 IZBIQMFFLMEQFH-UHFFFAOYSA-N 339.822 5.237 10 40 EKCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 4140483 OXQOEHFBIMXJJM-QEEYODRMSA-N 325.839 5.565 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 6324160 WIIBDLVLCILWFT-WFXMLNOXSA-N 348.446 5.719 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)c1 409151891 CONBKWJIBOYFGK-DCGLDWPTSA-N 334.221 5.959 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21 8169407 WTFHVSQCLCMTMD-VNBZBWLYSA-N 346.257 5.829 10 40 EKCB FC(F)(F)c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 409168550 MKZPMYGXIWTRDV-PEBVRCNWSA-N 349.783 6.185 10 40 EKCB CC[N+](C)(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21 1774119 SILHECPPOKQRBA-SXGWCWSVSA-N 344.931 5.723 10 40 EKCB CC(C)CC[C@H](CCNCc1ccc(N(C)C)cc1)c1ccco1 4000305 XKXQLXGLMXTLEN-LJQANCHMSA-N 328.500 5.045 10 40 EKCB biogenic CCc1ccc(/N=N\c2c(F)c(F)c(N(C)C)c(F)c2F)cc1 104091546 WURNNCUOZCORLT-DQRAZIAOSA-N 325.309 5.287 10 40 EKCB Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1ccc2c(c1)OCO2 6961928 XHKMMAJWWIZUHF-UHFFFAOYSA-N 348.427 5.100 10 40 EKCB CC(C)CC[C@H]1C[C@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 100499959 YTEMARBLDWMTHY-GUVYZIOHSA-N 335.451 6.113 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 409163388 QVSLMHWONDMOKI-JTDSTZFVSA-N 340.810 5.383 10 40 EKCB CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 44085452 CYJJBCNAOAXREO-UHFFFAOYSA-N 349.286 5.627 10 40 EKCB Cc1ccc(C2=C/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1C 409052283 JCUKIFHEXZBWQS-OVCLIPMQSA-N 345.225 5.592 10 40 EKCB FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 409166831 GHNPBGOGXGMWNP-VKJFTORMSA-N 349.783 6.185 10 40 EKCB Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72216848 BJBKWCHCRNDHCF-QFIPXVFZSA-N 345.490 5.216 10 40 EKCB COc1ccc2ccccc2c1/C=C1\C=C(c2ccc(C)cc2)OC1=O 16292150 XUEGPKVEEUWMCY-QGOAFFKASA-N 342.394 5.138 10 40 EKCB CCc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1 8087375 KRAHTRWGCRSXBT-KHYOSLBOSA-N 344.285 6.382 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 20694923 YUDDPQBUMAOMEO-GPMSIDNRSA-N 340.810 5.383 10 40 EKCB Fc1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 103554395 ZJOZRARVXSEVIT-KEYYUXOJSA-N 344.227 5.415 10 40 EKCB CCc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@@H]32)cc1 8087447 GUWAUZSWBMUJSI-DOXZYTNZSA-N 344.285 6.382 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 5331521 UNEOWVZKSSJVKI-JKDFXYPNSA-N 326.783 5.075 10 40 EKCB CCCCc1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 5371552 GFIJREXSBHQDHC-FOWTUZBSSA-N 343.473 5.028 10 40 EKCB Cc1ccc(C2=C/C(=C\c3c(O)ccc4ccccc34)C(=O)O2)cc1C 409051737 FZFCRYYPGOZUJA-LDADJPATSA-N 342.394 5.144 10 40 EKCB Cc1cccc(C)c1Nc1scc(-c2ccc(Cl)cc2)[n+]1C 162736 SDZNYMJZJIRHJO-UHFFFAOYSA-O 329.876 5.253 10 40 EKCB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 409173516 JFAGLZABTTXQKF-LPMFXHHGSA-N 345.364 5.541 10 40 EKCB O=[N+]([O-])c1cccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)c1 4156835 HIYKAPSJQREYHP-JJRVBVJISA-N 326.783 5.075 10 40 EKCB N=C(N)c1ccc(/N=N/c2cc(/C=C/c3ccccc3)ccc2O)cc1 6578340 HKRFQXBNVMEPED-ZLQQAHHZSA-N 342.402 5.262 10 40 EKCB in-vivo CCCN(CCC)/N=N\c1c(-c2ccccc2)n[nH]c1-c1ccccc1 16953122 XVMIRGXLNBXHKN-IZHYLOQSSA-N 347.466 5.864 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 6347703 QCLJOZSHPCFPNS-CMKODMSKSA-N 334.419 5.545 10 40 EKCB Cc1ccc(C)n1-c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 1410371 XHAFIDHBIYQZDQ-UHFFFAOYSA-N 326.443 5.860 10 40 EKCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 6056115 JVPBXXAVRZEUKX-XNTDXEJSSA-N 345.876 5.054 10 40 EKCB Brc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 13638424 AQPKXKDEGOFNPF-ZVZYQTTQSA-N 326.237 5.276 10 40 EKCB O=C1OCC/C1=C/c1ccc(/N=N/c2c(O)ccc3ccccc23)cc1 17156710 INXIOKNAUPYOLQ-XJOHWSCLSA-N 344.370 5.291 10 40 EKCB Cn1c2ccccc2c2ccc(CC(=O)C/N=N/c3ccccc3)cc21 97940123 SRHAWMYYHVWYSP-WCWDXBQESA-N 341.414 5.227 10 40 EKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccco1 5151740 OLRVKWLSMSMVSE-DTQAZKPQSA-N 330.339 5.053 10 40 EKCB CCC1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 390823252 WYYWMSIPTOQHNQ-UHFFFAOYSA-N 348.446 5.205 10 40 EKCB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)[C@@H](C)n2cccn2)cc1 28193487 IYYGRBFSIBGGOS-QOJBGXHZSA-N 347.422 5.115 10 40 EKCB Cc1cc(/N=N/c2ccccc2C)ccc1/N=N\c1ccc(N)nc1N 104229766 ZWQHEBNEUHKFCC-RIIXPHEHSA-N 345.410 5.694 10 40 EKCB CCc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc1 409158952 ULIJJUQFYSLWEE-QINHECLXSA-N 344.285 6.382 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 6962822 OXUZNLHCHBBKQR-BIENJYKASA-N 338.382 5.177 10 40 EKCB CCCN1C=C/C(=C\c2sc3ccccc3[n+]2C)c2ccccc21 90448527 SRUFJYGZWRFDHS-UHFFFAOYSA-N 333.480 5.010 10 40 EKCB Cc1ccccc1/N=N\C(C(=O)c1ccccc1)C(=O)c1ccccc1 104290092 URUHRRSCTBUPDX-VHXPQNKSSA-N 342.398 5.213 10 40 EKCB C[C@@H]1N(C)c2ccc(/C=C/c3sc4ccccc4[n+]3C)cc2C1(C)C 5173798 DLURDNCTABOMCB-HNNXBMFYSA-N 349.523 5.012 10 40 EKCB Fc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 19890256 FXSAPFFJWKDYGD-PEBVRCNWSA-N 334.221 5.959 10 40 EKCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccccc3Cl)S2)cc1C 35647360 NVODVXWGWNDUGM-MHWRWJLKSA-N 342.851 5.039 10 40 EKCB Brc1ccccc1/N=N\c1ccccc1Br 104147692 PLBYCASTSHVECW-NXVVXOECSA-N 340.018 5.627 10 40 EKCB COc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)c1 8168395 NCVJEFCEEDKRDR-IYOUNJFTSA-N 346.257 5.829 10 40 EKCB Fc1cccc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 43769718 FJVYZNUTOQCQBB-PSTGCABASA-N 333.328 5.671 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 12628342 ITWOEUKZIACVRE-CKEIUWERSA-N 344.773 5.214 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 5331523 UNEOWVZKSSJVKI-PRXAMGSTSA-N 326.783 5.075 10 40 EKCB Brc1cccc2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@H]21 7096349 CXGVSJUNEWDUKZ-GRDNDAEWSA-N 326.237 5.276 10 40 EKCB Cc1ccc(-c2ccc(F)c(Cl)c2)n1-c1ccc(N(C)C)cc1 228925961 LSIBRHAMPYXSNB-UHFFFAOYSA-N 328.818 5.311 10 40 EKCB Cc1ccc(C)c2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21 409152615 KNMFIPDIGZBKAN-AVYPCKFXSA-N 343.392 6.149 10 40 EKCB FC(F)(F)c1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 409168551 MKZPMYGXIWTRDV-QFSBIZTOSA-N 349.783 6.185 10 40 EKCB Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(C)cc2C)cc1 94836 VTNHGHNFDYSYPL-UHFFFAOYSA-N 333.431 5.087 10 40 EKCB C[C@H]1N(C)c2ccc(/C=C/c3sc4ccccc4[n+]3C)cc2C1(C)C 5173794 DLURDNCTABOMCB-OAHLLOKOSA-N 349.523 5.012 10 40 EKCB Cc1ccccc1/N=N/c1ccc(/N=N/c2ccc(O)cc2)c(C)c1 104366904 NJMJSHLPJWODPM-MDNZCRNZSA-N 330.391 6.840 10 40 EKCB Cc1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1 408966553 NDUQLZARPVSDAV-UHFFFAOYSA-N 326.237 5.524 10 40 EKCB FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 409164100 CKARVLBUFHPZIG-SNUQEOBHSA-N 349.783 6.185 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 4007989 YWKBTFYWHHQQLN-VEVIJQCQSA-N 326.783 5.075 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 409153873 ITHRBPDEIDRBSG-GPMSIDNRSA-N 338.382 5.177 10 40 EKCB CC(=C/c1ccccc1)/C=C1\SC(=S)N(C2=CCCC=C2)C1=O 26779792 DBOSGQMMZKJWFV-PNKQLNASSA-N 339.485 5.068 10 40 EKCB Cc1cc(/[N+]([O-])=N/c2ccccc2)ccc1/[N+]([O-])=N\c1ccccc1 100369100 BDPMBHISELKTSQ-KEEJTVGESA-N 332.363 5.846 10 40 EKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 409172866 GEVLJELTOZVTGW-SXGZJXTBSA-N 343.392 6.149 10 40 EKCB COc1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 4718522 KJBXMONKDMKDMS-ZJNRKIDTSA-N 346.257 5.829 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 20713319 KXSLNEFGMGVLOH-NQCMUKECSA-N 340.810 5.383 10 40 EKCB Cc1cc(C)c2oc(-c3ccc(OCc4ccc(N)cc4)cc3)nc2c1 226294728 JROWRBMVEFPYBS-UHFFFAOYSA-N 344.414 5.273 10 40 EKCB Cc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1 226872960 DCZGUEJDWGRTIN-VKJFTORMSA-N 330.258 6.128 10 40 EKCB Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 250807327 IXSLULBINMGVDS-VKJFTORMSA-N 326.237 5.276 10 40 EKCB Cc1ccc(N2C(=O)/C(=C/c3sccc3C)SC2=S)cc1C 1412497 VYYICVVCAQMSIJ-DHDCSXOGSA-N 345.514 5.079 10 40 EKCB COc1cc(-c2ccc(/N=N\c3ccc(O)cc3)c(OC)c2)ccc1N 104388944 KTJMRHBUIPWLRP-FCQUAONHSA-N 349.390 5.074 10 40 EKCB Fc1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@@H]21 7096824 TZZIQOIZIGLBPE-YDIMBITNSA-N 341.429 6.319 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 6721373 LZPULCMYARCGBK-QMTMVMCOSA-N 339.822 5.173 10 40 EKCB O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1ccc(Cl)cc1 408723145 QQIOKLOLTRRADC-WQRHYEAKSA-N 332.786 5.475 10 40 EKCB O=C1OC(c2ccc(F)cc2)=C/C1=C\c1ccc(Cl)cc1Cl 409054903 WFWDYDJWDUIBRB-KPKJPENVSA-N 335.161 5.114 10 40 EKCB O=[N+]([O-])c1ccc(/N=N/[C@H](Oc2ccccc2)c2ccccc2)cc1 4065096 RHWFJUUGTWOTRX-UOFXHNCJSA-N 333.347 5.456 10 40 EKCB CCc1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21 6944765 ZYOSNOKLQQTJQL-PTSWNOGYSA-N 344.285 6.382 10 40 EKCB Cc1ccc(C)c2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 14463816 OWPYFIVGPXSORK-IZIIKQMZSA-N 325.455 6.283 10 40 EKCB CC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2C1 184091 MBGMZKBHLBAAKW-UHFFFAOYSA-N 349.861 5.953 10 40 EKCB biogenic O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc2nccn2c1 60376542 KKWMCCFOEOZDRJ-WCWDXBQESA-N 341.374 5.002 10 40 EKCB COc1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@H]32)c1OC 409154871 KTLFVBOSIPJKMS-SNUQEOBHSA-N 341.838 5.184 10 40 EKCB Oc1ccc(NCc2cccc(OCc3ccc(Cl)cc3)c2)cc1 3644680 RMKOWJNNBPTOTD-UHFFFAOYSA-N 339.822 5.237 10 40 EKCB COc1ccccc1N1COc2ccc(/N=N/c3ccccc3)cc2C1 4116426 CKBAJXICUIYUHW-GHVJWSGMSA-N 345.402 5.467 10 40 EKCB COc1ccc(-c2nc([C@@H]3CC=CCC3)[nH]c2-c2ccccc2)cc1 8914030 NFKMQXTUJUIJCI-GOSISDBHSA-N 330.431 5.576 10 40 EKCB CC(C)c1ccc(/C=C2\C=C(c3ccc4ccccc4c3)OC2=O)cc1 1667461 NTKKXMINIPBLPE-LPYMAVHISA-N 340.422 5.945 10 40 EKCB in-vitro Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@H]21 15227922 ORPLRCWQJZYHQC-JQVVWYNYSA-N 347.458 5.643 10 40 EKCB Cc1ccc(C2=NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S2)cc1 36226564 KAEZKHZJCPGKHW-QGOAFFKASA-N 335.472 5.354 10 40 EKCB Cc1ccc(C(=O)C(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 8369818 VHERASPNNWZRJP-UHFFFAOYSA-N 327.594 5.021 10 40 EKCB COc1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 409151075 AAIIZNBFPYTRHH-FHSNZYRGSA-N 346.257 5.829 10 40 EKCB Cc1cccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1 5548071 OXRGUUUHDFGRBB-GDNBJRDFSA-N 345.876 5.054 10 40 EKCB CCCCN1c2cc(Cl)c(CNCCC)cc2[C@@H](C)CC1(C)C 223787645 YVNJLPXKHDGUTR-HNNXBMFYSA-N 336.951 5.732 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)c1 409159375 TWAUNHZYGPIFAB-VBQJREDUSA-N 334.221 5.959 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)c1 302464 AKDONNMSBGSFAF-FHSNZYRGSA-N 344.773 5.214 10 40 EKCB Fc1cccc2c1N[C@@H](c1ccc3c4c(cccc14)CC3)[C@H]1CC=C[C@@H]21 408737898 ZBFMNZJLJAYXHC-WLENULPWSA-N 341.429 5.904 10 40 EKCB Cc1sc(Nc2cccc(C(F)(F)F)c2)[n+](C)c1-c1ccccc1 1019206 KFUZUHLUYLBDGY-UHFFFAOYSA-O 349.401 5.310 10 40 EKCB Brc1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21 4004160 BPTGFMCTVQMOHX-XAYKYTGQSA-N 326.237 5.276 10 40 EKCB CC(=O)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 4363656 PMEPTDBLTUQVKP-UHFFFAOYSA-N 337.382 5.048 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(C)cc(Cl)cc2[C@@H]2C=CC[C@H]21 409150996 FUEYWMBOSHYQAF-STXHMFSFSA-N 325.839 5.484 10 40 EKCB COc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 409160624 VALWTPIONXDUMR-VBHSOAQHSA-N 345.364 5.541 10 40 EKCB O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccco1 408985552 MVWVJGPJJSDRGK-GHRIWEEISA-N 347.801 5.404 10 40 EKCB Cc1ccc(Cl)cc1-n1c(CCC(=O)O)ccc1-c1ccccc1 94923 MGHTWSXWVBDTGI-UHFFFAOYSA-N 339.822 5.123 10 40 EKCB Cc1ccc(C2=C/C(=C/c3cccc4ccccc34)C(=O)O2)cc1C 2058788 KUGYURGYNYRVEH-MOSHPQCFSA-N 326.395 5.438 10 40 EKCB CCOc1cccc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 6935756 UCXBRQSTDADHCP-KSMMKXTCSA-N 325.839 5.565 10 40 EKCB N=C(N)c1ccc(/N=N/c2cc(/C=C\c3ccccc3)ccc2O)cc1 104231136 HKRFQXBNVMEPED-RLJZSINYSA-N 342.402 5.262 10 40 EKCB Cc1cc(/N=N/c2ccc(/N=N\c3ccccc3C)cc2C)ccc1O 104366960 BVFQNOYGMVCKDW-XNMKTSCDSA-N 344.418 7.148 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2 409168822 NVPQHMFPMZWZGE-PEBVRCNWSA-N 344.773 5.214 10 40 EKCB CCCCCCC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 1600260 YGIZRIQLALIQCR-UHFFFAOYSA-N 338.539 5.921 10 40 EKCB Cc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O 113834944 ZIIPVKVINKEMDY-GDNBJRDFSA-N 345.876 5.054 10 40 EKCB COc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@H]32)c1OC 409157815 NONUBNFJDDEJJJ-PJIJBLCYSA-N 341.838 5.184 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@@H]21 409165241 VDUDVYLAZNSNCE-XPIZARPCSA-N 333.431 5.335 10 40 EKCB Cc1ccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)c(C)c1 979431 NEGBAPJRRPAVNC-UHFFFAOYSA-N 343.470 5.916 10 40 EKCB O=[N+]([O-])c1cccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)c1 4492019 QTCBVCMEJTUCSW-HDMKZQKVSA-N 326.783 5.075 10 40 EKCB Cc1cccc(-n2c(C)ccc2-c2ccc(Br)cc2)c1 408966004 KVOSXKFDSBSZDB-UHFFFAOYSA-N 326.237 5.524 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 409152580 JOWOWNWIHNARPN-VKJFTORMSA-N 340.810 5.383 10 40 EKCB Cc1ccccc1-n1c(-c2ccccc2)cc2c1CC(C)(C)CC2=O 6815270 FVOITTUPLQSGEA-UHFFFAOYSA-N 329.443 5.608 10 40 EKCB CCCCN1c2cc(Cl)c(CNCCC)cc2[C@H](C)CC1(C)C 260726511 YVNJLPXKHDGUTR-OAHLLOKOSA-N 336.951 5.732 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 59267190 ITWOEUKZIACVRE-KEYYUXOJSA-N 344.773 5.214 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(ccc(Cl)c2Cl)[C@@H]2C=CC[C@@H]21 408736246 NQRALESXIDZOBQ-VGTOOOLASA-N 334.221 5.959 10 40 EKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 4561451 ZQUSXLXQKOEONP-CKFHNAJUSA-N 339.822 5.173 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 6963533 DQIGGDHUJDKSCI-KSMMKXTCSA-N 340.810 5.383 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)c1 6970126 FYAHHTVADVIBRK-ZQIUZPCESA-N 344.227 5.415 10 40 EKCB COc1ccc(CNc2ccc3c(c2)ncn3C2CCCCC2)cc1 204089 HUAAGNQVAWWPLR-UHFFFAOYSA-N 335.451 5.162 10 40 EKCB Oc1c(/N=N\c2ccccc2)c2ccccc2c2ccc3ccccc3c12 104252496 FPYVIHBFSAEKPV-QPLCGJKRSA-N 348.405 7.267 10 40 EKCB CC(C)Oc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 408736385 RIUUXOQLMZQBJC-LQWHRVPQSA-N 339.866 5.954 10 40 EKCB Fc1cccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)c1 409159820 VDAPGRSFKLRFKI-IGCXYCKISA-N 334.221 5.959 10 40 EKCB Cc1ccc(C)n1-c1ccc(Oc2ccc(Cl)cc2Cl)cc1 7468540 YWRRYDMTIIYYNX-UHFFFAOYSA-N 332.230 6.193 10 40 EKCB COc1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 6955656 OWNVRYSLEXSWJQ-IQUTYRLHSA-N 345.364 5.541 10 40 EKCB O=[N+]([O-])c1cccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)c1 4156840 HIYKAPSJQREYHP-GRDNDAEWSA-N 326.783 5.075 10 40 EKCB Cc1ccc(Cl)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4183911 XRFOGCLJQPTYEP-DOXZYTNZSA-N 340.810 5.383 10 40 EKCB CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@H](c1ccccc1O)N2 4498718 UVCNDDNTCQRUKV-LJQANCHMSA-N 325.452 5.490 10 40 EKCB O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1 253567503 KCWJVGZGANKSEN-ZVZYQTTQSA-N 326.783 5.075 10 40 EKCB Fc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@H]3C=CC[C@@H]32)cc1 7097641 CTJQJNQDWWSJDB-FUDKSRODSA-N 341.429 6.319 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(C)cc(Cl)cc2[C@H]2C=CC[C@H]21 8336166 FUEYWMBOSHYQAF-BXTJHSDWSA-N 325.839 5.484 10 40 EKCB Cc1cccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)c1 38568652 IZUOHUNJPKZQET-DEYYWGMASA-N 339.822 5.173 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 409168826 NVPQHMFPMZWZGE-QFSBIZTOSA-N 344.773 5.214 10 40 EKCB CC[n+]1c(/C=C2\C=Cc3cccc(C)c3N2C)ccc2cc(C)ccc21 5027455 LWTULWYMORIGEI-UHFFFAOYSA-N 341.478 5.268 10 40 EKCB Brc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H]([C@H]1CC=CCC1)N2 257979 SIBQPRMYIDHIQZ-OGIUKLMXSA-N 330.269 5.259 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 6347753 FGDCYLBYXWWYPQ-CEQIKUNHSA-N 334.419 5.545 10 40 EKCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2 111441588 VBRRXVCEHHNNNO-PSTGCABASA-N 343.785 5.004 10 40 EKCB Cc1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@H]32)cc1 4151408 PUHNXMQLZRMICU-QKLQHJQFSA-N 334.419 5.347 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 13389364 XRFOGCLJQPTYEP-ZRGWGRIASA-N 340.810 5.383 10 40 EKCB Cc1c(C2=CC=CCC2=S)c(=O)oc2c(Cl)cc(Cl)cc12 71404978 ZTHYBVLPRRUSHU-UHFFFAOYSA-N 337.227 5.121 10 40 EKCB CCCCCCSc1nnc(-c2ccco2)c(-c2ccco2)n1 2215946 UGJWOPPNOOTXQZ-UHFFFAOYSA-N 329.425 5.064 10 40 EKCB COc1ccc([C@@H]2Nc3c(C)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 58928611 LUMHJDYPCVSPDR-GUXCAODWSA-N 325.839 5.484 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2 58929020 WFPGZINONMCWQD-VGTOOOLASA-N 344.773 5.214 10 40 EKCB Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 4718764 IZSABPHCHBLJMD-OAVHHTNSSA-N 334.221 5.959 10 40 EKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(F)c1 408966375 MHWOLUWMTPXPTA-UHFFFAOYSA-N 330.200 5.354 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 229961592 IZSABPHCHBLJMD-SEDUGSJDSA-N 334.221 5.959 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 36081419 MOSDCACNSSJKQF-TYILLQQXSA-N 330.258 6.128 10 40 EKCB CN(C)c1ccc(/C=C/N=N\c2ccc(Br)cc2)cc1 104039259 CFLNSXZUTJPSKS-VHLPMZHRSA-N 330.229 5.270 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2 409157931 WFPGZINONMCWQD-AGKHESDQSA-N 344.773 5.214 10 40 EKCB CN1/C(=C\C(=S)c2cccc3ccccc23)Sc2ccccc21 101168359 NGVJZWPPTYYNPO-DEDYPNTBSA-N 333.481 5.641 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 4199907 MIUBSDCCDUMSBA-VCBZYWHSSA-N 339.822 5.173 10 40 EKCB Cc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 6968686 YHWZSPFORQQEOH-TVZGQMOCSA-N 330.258 6.128 10 40 EKCB Oc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 15276166 HBESOAZVTUCMGT-IIYDPXPESA-N 332.230 5.526 10 40 EKCB Cc1nc(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cs1 21356125 CZMKVQMPGSFSGY-QURGRASLSA-N 336.420 5.048 10 40 EKCB Cc1cccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)c1C 1001713 UUTSZPYYMUUYCP-UHFFFAOYSA-N 343.470 5.916 10 40 EKCB biogenic COc1cccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1 409166639 FOFCCIQLSTUKHL-UWVAXJGDSA-N 325.839 5.484 10 40 EKCB Fc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 14549601 ITBYMZMMTQASQH-DEYYWGMASA-N 334.221 5.959 10 40 EKCB c1ccc(-c2ccc(/N=N/c3ccc(-c4ccccc4)cc3)cc2)cc1 18098834 KXXMEJSOPZIZAD-OCEACIFDSA-N 334.422 7.436 10 40 EKCB c1ccc(/N=N/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 18088078 YFMFSCRSAWIWOP-CYYJNZCTSA-N 348.449 6.762 10 40 EKCB N=C(N)c1ccc(/N=N\c2cc(/N=N\c3ccccc3)ccc2O)cc1 104231116 NKLDVTYKPPGNGG-HKOLQMFGSA-N 344.378 5.507 10 40 EKCB FC(F)(F)c1cccc(Nc2c3ccccc3nc3ccccc23)c1 3909549 HIRXKQUEQXKPCJ-UHFFFAOYSA-N 338.332 6.150 10 40 EKCB Fc1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@H]2C=CC[C@@H]21 7097156 TZZIQOIZIGLBPE-AXHZCLLHSA-N 341.429 6.319 10 40 EKCB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 409173517 JFAGLZABTTXQKF-TYILLQQXSA-N 345.364 5.541 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 6962806 ITHRBPDEIDRBSG-GJYPPUQNSA-N 338.382 5.177 10 40 EKCB Nc1ccc(N=Nc2ccc([N+]([O-])=Nc3ccc(N)cc3)cc2)cc1 245240632 QVHOCYVXLLNMPB-UHFFFAOYSA-N 332.367 5.192 10 40 EKCB O=C1c2ccc(F)cc2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 5002549 RZBDYSNOKMEXES-GHVJWSGMSA-N 345.333 5.042 10 40 EKCB COc1ccc(N/C=C/C(=S)c2ccc(C(C)(C)C)cc2)cc1 16323171 BRILFQMXDWLWKK-BUHFOSPRSA-N 325.477 5.337 10 40 EKCB Brc1cccc2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 20757729 CXGVSJUNEWDUKZ-CKEIUWERSA-N 326.237 5.276 10 40 EKCB Nc1ccc(/N=N/c2ccc(/[N+]([O-])=N\c3ccc(N)cc3)cc2)cc1 100368352 QVHOCYVXLLNMPB-RLPYSRNMSA-N 332.367 5.192 10 40 EKCB Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 4112558 MYYNCBWMQYJPGO-ZJNRKIDTSA-N 331.246 5.402 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 229961597 IZSABPHCHBLJMD-SOZUMNATSA-N 334.221 5.959 10 40 EKCB Fc1cccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@@H]32)c1 409159818 VDAPGRSFKLRFKI-DCGLDWPTSA-N 334.221 5.959 10 40 EKCB CCCCN(CCCC)c1ccc(/C=C2\C=Cc3ccccc32)cc1 1627413 FDZIYCHATWJZCH-ZBJSNUHESA-N 331.503 6.661 10 40 EKCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccccc3)S2)cc1 35042430 GLKNQDYZBGHKQJ-NBVRZTHBSA-N 336.460 5.112 10 40 EKCB Cc1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 409158630 RQLIEBFPAKXTTQ-KVSKMBFKSA-N 340.264 5.584 10 40 EKCB Fc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 4268923 FXSAPFFJWKDYGD-JKDFXYPNSA-N 334.221 5.959 10 40 EKCB Cc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 20711332 MRKUSDUSHRZHGD-CKNLXJGOSA-N 344.285 6.437 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 102955414 ITWOEUKZIACVRE-JKIFEVAISA-N 344.773 5.214 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 409185044 QNCUFNLWLSNYAR-VKJFTORMSA-N 339.822 5.173 10 40 EKCB CSc1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1 4517533 BYGSROFLQZBNFJ-GHVJWSGMSA-N 347.443 6.076 10 40 EKCB Cc1ccc(Cl)c2c1N[C@@H](c1c(F)cccc1Cl)[C@H]1CC=C[C@@H]21 58850887 PBROEBAWFJBRPM-UYSIFFEZSA-N 348.248 6.267 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 409151557 CFOKWBYRLKCLIJ-LPMFXHHGSA-N 330.258 6.128 10 40 EKCB COc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1OC 409157808 NONUBNFJDDEJJJ-BIENJYKASA-N 341.838 5.184 10 40 EKCB Clc1cc(Cl)cc(/N=N/Nc2cc(Cl)cc(Cl)c2)c1 4549111 AROVBGKZGLRKCZ-UHFFFAOYSA-N 335.021 6.411 10 40 EKCB O=C1OC(c2ccccc2)=C/C1=C/c1c2ccccc2cc2ccccc12 3664075 OTWVMENAUIHMSX-HKWRFOASSA-N 348.401 5.974 10 40 EKCB CC(=O)Nc1ccccc1Nc1c2ccccc2nc2ccccc12 5313835 PNFNIBHFZTVEJF-UHFFFAOYSA-N 327.387 5.090 10 40 EKCB COc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 409162772 HOFHYZAOUOUXBO-GPMSIDNRSA-N 325.839 5.484 10 40 EKCB Cc1ccc2c(c1C)N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 6967097 XXOISNXVPYLOOM-MNVSYLFESA-N 344.285 6.437 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 8336087 TTWBDPRUKCQTGC-FRQCXROJSA-N 330.258 6.128 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 226691526 IIZDTBJJAVTGMF-ZRGWGRIASA-N 340.810 5.383 10 40 EKCB c1ccc2c(NC[C@@H]3CCCN4CCCC[C@H]34)c3ccccc3nc2c1 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C1=C[C@@H]2c3ccccc3N[C@@H](c3cccc(OC4CSC4)c3)[C@H]2C1 4151374 YNTGJDVQAGJDTA-LMNJBCLMSA-N 335.472 5.007 10 40 EKCB CCOc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc1 58928648 KLIBYGWIRMZVEU-DXIQSLLYSA-N 333.431 5.114 10 40 EKCB CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccccc2)SC1=S 2696950 SXDTYMIQWDPEIE-IZCBMXNHSA-N 333.522 5.104 10 40 EKCB CCc1cc2c(s1)sc1c3c(nc(CC)c12)-c1ccccc1C3=O 1276131 SWHFNKIRPHHEMR-UHFFFAOYSA-N 349.480 5.847 10 40 EKCB COc1cccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 4718524 KJBXMONKDMKDMS-VEVIJQCQSA-N 346.257 5.829 10 40 EKCB CCCOc1c(OCC)cccc1C1Nc2cccc3cccc(c23)N1 70453965 IVCWLDUNNGNSJU-UHFFFAOYSA-N 348.446 5.564 10 40 EKCB Oc1ccc(/N=N\c2ccc(Br)cc2)c2ccccc12 104393097 DFWSNPWQTITSLU-HNENSFHCSA-N 327.181 5.723 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)c1 409151888 CONBKWJIBOYFGK-AHIWAGSCSA-N 334.221 5.959 10 40 EKCB FC(F)(F)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 6970021 RUYVZZCYGDKTSJ-GRDNDAEWSA-N 349.783 6.185 10 40 EKCB CC[n+]1c(/C=C/C=C/c2ccc(N(C)C)cc2)sc2ccccc21 1532306 NRPYYACQUPIKLE-UHFFFAOYSA-N 335.496 5.001 10 40 EKCB in-vitro CCN1/C(=C\c2ccc3cc(C)ccc3[n+]2CC)Sc2ccccc21 1804384 PJPAFLGFCXGCRU-UHFFFAOYSA-N 347.507 5.386 10 40 EKCB Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 4959513 UCRPOEDVGWUPTC-CKFHNAJUSA-N 340.810 5.383 10 40 EKCB Cc1ccc2c(c1C)N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 20711498 XXOISNXVPYLOOM-CKNLXJGOSA-N 344.285 6.437 10 40 EKCB CCCCN1c2cc(OC)c(CNC(C)C)cc2[C@H](C)CC1(C)C 260722538 PRIXULSRIMWGQZ-MRXNPFEDSA-N 332.532 5.086 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 14546654 MYLYOKSQIKYZNO-QHRIQVFBSA-N 330.258 6.128 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 8336107 XSCPUKDKUIHBLI-KSMMKXTCSA-N 340.810 5.383 10 40 EKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@H]21 33694970 ORPLRCWQJZYHQC-IPJJNNNSSA-N 347.458 5.643 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 409151092 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O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 58928999 WIQDDCQTFLPECL-IIYDPXPESA-N 326.783 5.075 10 40 EKCB Fc1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@H]2C=CC[C@H]21 7097317 TZZIQOIZIGLBPE-XLNZFTOWSA-N 341.429 6.319 10 40 EKCB c1ccc2cc3nc4c5ccccc5c5ccccc5c4nc3cc2c1 4539133 FFPIYZFDQBPGCZ-UHFFFAOYSA-N 330.390 6.243 10 40 EKCB Cc1ccc(C)n1-c1cc(C(F)(F)F)ccc1OCC(F)(F)F 3359234 RMVLLSWRMYWFDZ-UHFFFAOYSA-N 337.263 5.054 10 40 EKCB CC1=NN(c2ccc3ccccc3c2)C(=O)/C1=C\c1ccc(C)s1 15016034 AHZHZZNSPQSEGR-UNOMPAQXSA-N 332.428 5.016 10 40 EKCB Cc1ccc(C)n1-c1ncccc1[C@H]1CCCCN1Cc1ccccc1 72216849 BJBKWCHCRNDHCF-JOCHJYFZSA-N 345.490 5.216 10 40 EKCB COc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 226778940 XOVKJSMNGCXOQD-GLJUWKHASA-N 346.257 5.829 10 40 EKCB COc1ccc2cc(C3=C/C(=C/c4ccc(C)cc4)C(=O)O3)ccc2c1 408723621 YFCMVPDIULHDCS-JAIQZWGSSA-N 342.394 5.138 10 40 EKCB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1cccc2ccccc12 100547089 DYPOZQBKPNWONR-RGEXLXHISA-N 343.455 5.359 10 40 EKCB O=C(O)c1cccc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 1013842 YSSDNCFNJKGWHI-PLMTUMEDSA-N 341.410 5.365 10 40 EKCB COc1ccc(-c2csc(Nc3ccccc3)[n+]2C(C)C)cc1 1466371 HGFOTGGLUOIAAI-UHFFFAOYSA-O 325.457 5.036 10 40 EKCB O=C(O)c1ccccc1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 102182155 GVJYWFZLMDJIMA-FCQUAONHSA-N 345.358 5.053 10 40 EKCB CCc1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 409159459 ZYOSNOKLQQTJQL-DKICVRJWSA-N 344.285 6.382 10 40 EKCB Cc1cccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)c1 5548069 MYNRABIDIZQOSC-GDNBJRDFSA-N 345.876 5.054 10 40 EKCB CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\C=C/c1ccccc1 35225490 BJEBBXQAQBREAV-WCZBEGGKSA-N 330.431 5.075 10 40 EKCB c1ccc2c(Nc3ccc4nsnc4c3)c3ccccc3nc2c1 4797535 WHPKVELZURZCIE-UHFFFAOYSA-N 328.400 5.136 10 40 EKCB O=C1OC(c2ccc3c(c2)CCCC3)=C/C1=C/C=C/c1ccccc1 17289308 JXBQREPWTRNTQW-MIAABOGCSA-N 328.411 5.103 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 229961586 IZSABPHCHBLJMD-FMTVUPSXSA-N 334.221 5.959 10 40 EKCB Cc1ccc(C2=C/C(=C\c3ccc(OCC(C)C)cc3)C(=O)O2)cc1 408742292 ODZYPIRQOYUKGE-XDHOZWIPSA-N 334.415 5.011 10 40 EKCB CN(C)CC/C=C1/c2ccc(F)cc2Sc2ccc(Cl)cc21 346577 AYELFEVAWGRWJK-CPSFFCFKSA-N 333.859 5.327 10 40 EKCB Cc1ccc(C)c([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)c1 408872381 MFOFNHLEJFGSFO-LLGFUMIMSA-N 333.431 5.137 10 40 EKCB Fc1cccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 33689801 UTTKTVCBGPKFFE-VBQJREDUSA-N 344.227 5.415 10 40 EKCB O=C(Nc1ccc(/N=N\c2ccccc2)cc1)c1ccc(Cl)cc1 100490250 FHIQJJSQNOTYPS-FCQUAONHSA-N 335.794 6.008 10 40 EKCB Fc1cccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)c1 409167592 IWBGPKNYDIIHGU-RKVPGOIHSA-N 333.328 5.671 10 40 EKCB CC(C)n1c(NCc2c(O)ccc3ccccc23)nc2ccccc21 554304 NWDDDNJZUJVTMY-UHFFFAOYSA-N 331.419 5.088 10 40 EKCB Brc1cccc(C2Nc3cccc4cccc(c34)N2)c1 4133161 XJCHTIZCYSTVTG-UHFFFAOYSA-N 325.209 5.139 10 40 EKCB CN(C)c1ccc(/C=C/C2=Nc3ccc4ccccc4c3C2(C)C)cc1 6996195 PQQVNKIQVQJCIJ-LFIBNONCSA-N 340.470 5.983 10 40 EKCB Cc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 58929391 MMLBRMONMFCDPB-SLSDLSHTSA-N 337.466 6.489 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 20705411 QCLJOZSHPCFPNS-WSTZPKSXSA-N 334.419 5.545 10 40 EKCB CCOP(=O)(CCCCCCCCCCCN=[N+]=[N-])OCC 627276263 UMWZZMOUWONBBY-UHFFFAOYSA-N 333.413 6.074 10 40 EKCB CCN1/C(=C/c2sc3ccccc3[n+]2CC)C=Cc2ccc(C)cc21 4123264 AOTHBGIUDBEFII-UHFFFAOYSA-N 347.507 5.411 10 40 EKCB CCN(CC)c1ccc(C(=S)c2ccc(N(CC)CC)cc2)cc1 1688128 VDNIJUWUEYQFTQ-UHFFFAOYSA-N 340.536 5.145 10 40 EKCB CCC1(c2ccc(-c3ccccc3)cc2)C(=O)c2ccccc2C1=O 59500831 QWRXFQKEIHHXAV-UHFFFAOYSA-N 326.395 5.081 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 408736145 HZVXQWRTIRAZJJ-VGTOOOLASA-N 334.221 5.959 10 40 EKCB CCCCN1c2cc(OC)c(CNCCC)cc2[C@@H](C)CC1(C)C 223788399 XPFUWVCTVOPLTI-INIZCTEOSA-N 332.532 5.087 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)cc1 6324179 JGCGIDODUGVBGX-ZWOKBUDYSA-N 348.446 5.719 10 40 EKCB CC(C)c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 12401718 CJPYFCVIGTTYFC-ATVHPVEESA-N 339.485 5.216 10 40 EKCB CCCN(CCC)c1ccc(/C=C/c2ccnc3ccccc23)cc1 37868633 KRFJOKOQTQWRKH-FMIVXFBMSA-N 330.475 6.032 10 40 EKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1 408967908 VQPMZBMWLPQRNB-UHFFFAOYSA-N 346.655 5.869 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 20713053 SNOLWMYPGNJCNT-NQCMUKECSA-N 340.810 5.383 10 40 EKCB COc1cc(C)c(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1C(C)C 408744761 ZWJQGDOXGUQGHH-YBFXNURJSA-N 348.442 5.417 10 40 EKCB Oc1ccc2ccccc2c1/N=N/c1ccccc1Oc1ccccc1 4419447 UKGWWKYMULYCKW-WCWDXBQESA-N 340.382 6.753 10 40 EKCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 14460192 LDYWUPLXTFRSEC-UWVAXJGDSA-N 325.839 5.565 10 40 EKCB CCc1ccc([C@@H]2Nc3c(ccc(C(=O)OC)c3C)[C@@H]3C=CC[C@@H]32)cc1 409175378 RCBPDMMUWLMOCC-DXIQSLLYSA-N 347.458 5.171 10 40 EKCB Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 3636277 RPWYODFGQXXUKX-ZRGWGRIASA-N 340.810 5.383 10 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332.230 5.526 10 40 EKCB Cn1c(-c2ccccc2)cnc1SCc1ccc(F)c2cccnc12 24570115 WIDWNFYLTPSMRB-UHFFFAOYSA-N 349.434 5.067 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 20700224 DQIGGDHUJDKSCI-LPMFXHHGSA-N 340.810 5.383 10 40 EKCB CC(C)Oc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 408736301 PKKWEMLXJDRZOM-UWVAXJGDSA-N 339.866 5.954 10 40 EKCB COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 4048162 OAORQAINFAGFIL-CKFHNAJUSA-N 346.257 5.829 10 40 EKCB CCCCN1c2cc(OC)c(CNCCC)cc2[C@H](C)CC1(C)C 260725513 XPFUWVCTVOPLTI-MRXNPFEDSA-N 332.532 5.087 10 40 EKCB COc1ccc(Cl)c2c1N[C@H](c1cccc(F)c1)[C@@H]1CC=C[C@H]21 8115924 GUBWJSHDWVKGDJ-PMUMKWKESA-N 329.802 5.314 10 40 EKCB c1ccc2c(c1)ccc1c3nc4ccccc4nc3c3ccccc3c21 45068494 OHRWCBOROPHUNE-UHFFFAOYSA-N 330.390 6.243 10 40 EKCB Cc1ccc([N+](=O)[O-])cc1/C=C1/C=C(c2ccc(C(C)C)cc2)OC1=O 408976591 RSNWEYYMELFJBA-ZDLGFXPLSA-N 349.386 5.008 10 40 EKCB CCc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 6944818 BGRULYLJWHWHBB-AFBRZQFHSA-N 344.285 6.382 10 40 EKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(C)cc(C)c1 103918714 CXWXAOOHGKZLCS-FXBPSFAMSA-N 347.462 5.192 10 40 EKCB FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@H]21 409168601 MSSFGSHQZFXNQE-VEVIJQCQSA-N 349.783 6.185 10 40 EKCB Fc1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]21 409164216 FBIMYVXCMDIONZ-SNUQEOBHSA-N 333.328 5.671 10 40 EKCB CCc1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@H]32)cc1 6943477 FQOOELCVCYXFEV-UEXGIBASSA-N 348.446 5.601 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 8336077 XSCPUKDKUIHBLI-NJSLBKSFSA-N 340.810 5.383 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)c1 4959509 FEBOSHKPJVMMLR-WPKBUWHJSA-N 326.783 5.075 10 40 EKCB Nc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 227157593 GLKKEUWFSSDXJW-UHFFFAOYSA-N 347.201 5.088 10 40 EKCB CCCN(CCC)c1ccc(/C=C\c2ccnc3ccccc23)cc1 17161641 KRFJOKOQTQWRKH-XFXZXTDPSA-N 330.475 6.032 10 40 EKCB Cc1cc(/N=N/c2ccc(Cl)c(Cl)c2)cc(C(=O)O)c1O 70462746 QWKNCOJDXYZSNF-ISLYRVAYSA-N 325.151 5.121 10 40 EKCB CCc1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 6943493 YGERKLPLLHBMDC-UEXGIBASSA-N 334.419 5.292 10 40 EKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)ccc1Cl 7098204 ZRLFFZYGBOWOLT-IAISJRAMSA-N 326.783 5.075 10 40 EKCB COc1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)c1 6954632 ZOLHHARSBGUCGN-MPGHIAIKSA-N 345.364 5.541 10 40 EKCB COc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 409170978 XQMNOMGPDUMSIW-JTDSTZFVSA-N 325.839 5.484 10 40 EKCB CN(C)c1ccc2sc(SCc3ccccc3Cl)nc2c1 3671882 FYISEKULQLHDGH-UHFFFAOYSA-N 334.897 5.308 10 40 EKCB Fc1cccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 7096747 PUMVJXYEQJSHRZ-DPLHUUCSSA-N 341.429 6.319 10 40 EKCB COc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 409162773 HOFHYZAOUOUXBO-JTDSTZFVSA-N 325.839 5.484 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 6967026 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O=[N+]([O-])c1cc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)ccc1Cl 14470591 CXPAZWNIFRNBBB-JCGVRSQUSA-N 344.773 5.214 10 40 EKCB N=c1[nH]c(-c2ccccc2)c(/N=N/c2c(Cl)cccc2Cl)s1 16926574 HFXZZIOESRRUPI-QZQOTICOSA-N 349.246 5.945 10 40 EKCB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(F)cccc1Cl)N2 58850956 DJQWILJEFJIQQA-LAPQFRIASA-N 341.813 5.508 10 40 EKCB O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1ccc(O)cc1 409051007 GRDFWXUBMOENBG-XSFVSMFZSA-N 340.378 5.041 10 40 EKCB FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@H]21 409152598 KJERCJOYANCGAH-XWCIJXRUSA-N 349.783 6.185 10 40 EKCB CCc1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 409171142 YGERKLPLLHBMDC-OPYAIIAOSA-N 334.419 5.292 10 40 EKCB Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 229972522 BVWHDELMXLOWLL-SEDUGSJDSA-N 331.246 5.402 10 40 EKCB Cc1ccc(Nc2c(-c3ccc(C)o3)nc3ccc(Cl)cn23)cc1 201203 OUGYLEJNBJDYKH-UHFFFAOYSA-N 337.810 5.608 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)c1 4975195 AKDONNMSBGSFAF-JCGVRSQUSA-N 344.773 5.214 10 40 EKCB Fc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 4268918 FXSAPFFJWKDYGD-PRXAMGSTSA-N 334.221 5.959 10 40 EKCB CCCCOc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 4773616 HOTUTKMINQLMTA-UHFFFAOYSA-N 342.442 6.311 10 40 EKCB CCN1C(=Cc2ccc3cccc(C)c3[n+]2CC)Sc2ccccc21 5027457 WNDBSXDDIYRNJG-UHFFFAOYSA-N 347.507 5.386 10 40 EKCB CN(C)c1ccc(/C=C(\c2ccccc2)c2nc3ccccc3[nH]2)cc1 4115282 GTVXBBNRUIYXBC-CAPFRKAQSA-N 339.442 5.218 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 409158422 XKIKCQSQCLZTBD-CKEIUWERSA-N 344.773 5.214 10 40 EKCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1086537 NWOKVVMITQCBBE-XNTDXEJSSA-N 345.876 5.054 10 40 EKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(C2CCCC2)c1C 1408385 NSWSUTIHAPMGMI-KGENOOAVSA-N 347.462 5.026 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 4007991 YWKBTFYWHHQQLN-ZJNRKIDTSA-N 326.783 5.075 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@H]2C=CC[C@H]21 7097778 UDASVPTYZHGHNG-DRMXPCRNSA-N 341.429 6.319 10 40 EKCB CC1CCN([C@@H](c2ccccc2)c2ccc3ccccc3c2O)CC1 1639780 JAXNHDMBTCJTSO-QFIPXVFZSA-N 331.459 5.367 10 40 EKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cccnc1Cl 4751124 MOOFBJGZLNUDDJ-GHVJWSGMSA-N 336.782 5.403 10 40 EKCB COc1ccccc1[C@H]1Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1 2190045 LEUVAYZMWHVPGH-FQEVSTJZSA-N 339.479 5.793 10 40 EKCB COc1cccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)c1OC 8169002 KTLFVBOSIPJKMS-ZJNRKIDTSA-N 341.838 5.184 10 40 EKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cn2ccccc2n1 84517707 ZHBZELKWMKSMDA-WCWDXBQESA-N 341.374 5.002 10 40 EKCB COc1cc(-c2ccc(/N=N/c3ccc(O)cc3)c(OC)c2)ccc1N 18011114 KTJMRHBUIPWLRP-GHVJWSGMSA-N 349.390 5.074 10 40 EKCB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CN=[N+]=[N-] 122115709 NUOUFIXLUAPRPT-IJMQKCTASA-N 331.504 5.461 10 40 EKCB O=[N+]([O-])c1cc(Cl)cc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@@H]21 19887059 GXMLEMDQLWITRI-CKEIUWERSA-N 344.773 5.214 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2 58928927 OXUZNLHCHBBKQR-TYILLQQXSA-N 338.382 5.177 10 40 EKCB Oc1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccccc2-n2cccc21 137187 TWIGDZGBHDQKOR-INIZCTEOSA-N 331.202 5.005 10 40 EKCB CCCCCn1c(NCc2cc(Cl)ccc2O)nc2ccccc21 13536722 CNSKAHYZQSZQMY-UHFFFAOYSA-N 343.858 5.198 10 40 EKCB CCc1ccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@@H]3C=CC[C@H]32)cc1 409150761 DRMCFRVGMOCQOK-LZJOCLMNSA-N 333.431 5.082 10 40 EKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2 14463692 KVNDOWPDOGPFBC-IZIIKQMZSA-N 325.455 6.283 10 40 EKCB Cc1ccc(/N=N\C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 104290085 GBVMRMUXLFFIFZ-VHXPQNKSSA-N 342.398 5.213 10 40 EKCB Cc1cc(/[N+]([O-])=N/c2ccccc2)ccc1/[N+]([O-])=N/c1ccccc1 17889385 BDPMBHISELKTSQ-YEUCEMRASA-N 332.363 5.846 10 40 EKCB CCc1ccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)cc1 409175081 PPUJWEHSFVYSPQ-LQWHRVPQSA-N 333.431 5.082 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 4140558 CSENCKNYCFJEOY-BIENJYKASA-N 340.264 5.584 10 40 EKCB Cc1ccc(C)c2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 36081737 ZFPYTYBHPBQMJZ-SIFCLUCFSA-N 344.285 6.437 10 40 EKCB CCN(CC)c1ccc(CNc2cc(C)nc3ccc(OC)cc23)cc1 1592013 DSLRVLCJIZGDPH-UHFFFAOYSA-N 349.478 5.010 10 40 EKCB Fc1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)c1 6970114 XTSMZNZYPVJSOT-VBQJREDUSA-N 333.328 5.671 10 40 EKCB Cc1cc(/N=N/c2ccccc2C)ccc1/N=N\c1ccc(O)cc1 104366898 NJMJSHLPJWODPM-IKXBEZASSA-N 330.391 6.840 10 40 EKCB Oc1c(-c2cccc(F)c2)c2nc3ccccc3nc2c2ccccc12 4119498 KUGMZUZXIQHFBR-UHFFFAOYSA-N 340.357 5.448 10 40 EKCB Brc1ccccc1[C@@H]1Nc2ccccc2[C@H]2C=CC[C@H]21 4151372 BPTGFMCTVQMOHX-RVZJWNSFSA-N 326.237 5.276 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 6721371 AYUZAOKWKBOCBY-VPZZIHKRSA-N 339.822 5.173 10 40 EKCB Cc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21 6968669 IIFXGXUGZVTJEC-WTANOLMUSA-N 329.365 5.840 10 40 EKCB Cc1ccc(C)c([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)c1 408736648 YRUDINJGOCMCRU-JXALWOEJSA-N 325.455 6.283 10 40 EKCB Fc1cccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)c1 6970105 HDJQUGUPWOYXIM-DAYGRLMNSA-N 344.227 5.415 10 40 EKCB Cc1cccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)c1 35038724 NPLOHNLJAVROBL-GZTJUZNOSA-N 339.485 5.018 10 40 EKCB Clc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)cc1 4309488 UKVXEQUUZSTQOW-JQVVWYNYSA-N 331.846 6.320 10 40 EKCB COc1cccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)c1 6954626 OIVDMALOADVGGF-BXWFABGCSA-N 345.364 5.541 10 40 EKCB COc1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21 8169414 UCKDJCCDVSIOLB-WTOJCKNJSA-N 346.257 5.829 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 8276856 SNOLWMYPGNJCNT-QUJCMNEKSA-N 340.810 5.383 10 40 EKCB Fc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)cc1 101125394 SVIXQZGYDRQRMJ-IGCXYCKISA-N 334.221 5.959 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 409171513 CRWHCJBYGMSYQE-LQWHRVPQSA-N 337.894 6.464 10 40 EKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 409158680 SBDDBJSDBXAFFZ-XNJGSVPQSA-N 349.783 6.185 10 40 EKCB Clc1ccc(Cl)c(Nc2c3ccccc3nc3ccccc23)c1 3953564 MKNUCNGACYUXJN-UHFFFAOYSA-N 339.225 6.438 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@H]2C=CC[C@@H]21 7093120 KSTBWQDYGITTJK-NVGCLXPQSA-N 344.227 5.415 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 8276671 SNOLWMYPGNJCNT-JMERFSKESA-N 340.810 5.383 10 40 EKCB Fc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 16949826 FJVYZNUTOQCQBB-PEBVRCNWSA-N 333.328 5.671 10 40 EKCB Cc1ccc(C)c(-n2c(C)ccc2-c2ccc(Br)cc2)c1 408965900 JQLRCVASQKOIEC-UHFFFAOYSA-N 340.264 5.832 10 40 EKCB FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 409152196 JIWGXEVLAVSATH-RVKKMQEKSA-N 349.783 6.185 10 40 EKCB FC(F)(F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 409164101 CKARVLBUFHPZIG-VBHSOAQHSA-N 349.783 6.185 10 40 EKCB Cc1ccc(CN(Cc2ccccc2)Cc2ccccc2)c(O)c1C 4180531 JYKXQQJCNNIUSV-UHFFFAOYSA-N 331.459 5.211 10 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Cc1ccc(C)c([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1 408736442 SYNRTXOLACPGCB-ZRGWGRIASA-N 344.285 6.437 10 40 EKCB Oc1ccc2ccccc2c1CN(C1CCCCC1)C1CCCCC1 5604950 NEYIVORLBZRYSY-UHFFFAOYSA-N 337.507 6.013 10 40 EKCB CCc1c(CN=[N+]=[N-])c(CC)c(CN=[N+]=[N-])c(CC)c1CN=[N+]=[N-] 71973182 LOTFAMQIFWUARY-UHFFFAOYSA-N 327.396 5.805 10 40 EKCB CCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 4140484 OXQOEHFBIMXJJM-AUSJPIAWSA-N 325.839 5.565 10 40 EKCB COc1ccc(Cl)c2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4825523 JQRBCYRXMJSMHL-DEYYWGMASA-N 329.802 5.314 10 40 EKCB COC(=O)c1ccc([C@@H]2Nc3ccc(C(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1 36082064 OIZUVDQGRWXGGX-DXIQSLLYSA-N 347.458 5.423 10 40 EKCB COc1ccc(C)c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 409152897 LMZSJDHKDQWGEO-LPMFXHHGSA-N 325.839 5.484 10 40 EKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 4561456 ZQUSXLXQKOEONP-PJIJBLCYSA-N 339.822 5.173 10 40 EKCB Cc1cc(C)c2c(c1)N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 20711326 CVHGTFHKJMDSPF-CKNLXJGOSA-N 344.285 6.437 10 40 EKCB O=C1N=C(Nc2ccc(Cl)c(Cl)c2)S/C1=C/c1ccccc1 34578070 ITAIBXSLBQFTGO-RIYZIHGNSA-N 349.242 5.076 10 40 EKCB Fc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 226908289 ITBYMZMMTQASQH-GLJUWKHASA-N 334.221 5.959 10 40 EKCB CCc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc1 409163923 ZRAOADWHLOUMSP-HLIPFELVSA-N 343.392 6.094 10 40 EKCB S=C(C=C1S[C@H]2CCCC[C@H]2S1)c1ccc(Cl)cc1 17172940 VNUQLXKQHQYYAB-OKILXGFUSA-N 326.939 5.691 10 40 EKCB Cc1cc(N(C)C)ccc1/N=N\c1c(C)c(C)c([N+](=O)[O-])c(C)c1C 104260558 MSPOEHLRWULPPV-MRCUWXFGSA-N 340.427 5.618 10 40 EKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)ccc1Cl 7098210 ZRLFFZYGBOWOLT-DFHBCGBQSA-N 326.783 5.075 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 8371348 KXSLNEFGMGVLOH-QUJCMNEKSA-N 340.810 5.383 10 40 EKCB N=c1[nH]c(-c2ccccc2)c(/N=N\c2cc(Cl)ccc2Cl)s1 104108837 VIWSIRCDSVVHMB-MRCUWXFGSA-N 349.246 5.945 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 409171207 ZJHAXPIFBUMFEH-IGCXYCKISA-N 344.773 5.214 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 4718509 ONJUTHIWGVUHNE-MPGHIAIKSA-N 326.783 5.075 10 40 EKCB Cc1ccc(C2=C/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)c(C)c1 3664709 HMRNHPRMIFEDOX-ZSOIEALJSA-N 345.225 5.592 10 40 EKCB Fc1ccc(Nc2c(-c3ccco3)nc3ccc(Cl)cn23)cc1 3906268 RSZIUOPQGGZASN-UHFFFAOYSA-N 327.746 5.130 10 40 EKCB O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2 4828569 XORRMCWMRYNNOM-WVQJBOLRSA-N 343.785 5.004 10 40 EKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(ccc3ccccc23)[C@@H]2C=CC[C@@H]21 226836726 LBMLQITUMYNDTG-HYFFOGBASA-N 342.398 5.575 10 40 EKCB COc1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)c1 6954617 ZOLHHARSBGUCGN-DAYGRLMNSA-N 345.364 5.541 10 40 EKCB CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2 58928644 XCNFZWXCAJFXSU-QTEQDKRBSA-N 331.459 5.839 10 40 EKCB CCOc1ccc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc1 408722734 MTMSKOSAVSXLSJ-MOSHPQCFSA-N 342.394 5.220 10 40 EKCB Fc1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21 409150783 DRRBOMYDEVHTAG-OAVHHTNSSA-N 334.221 5.959 10 40 EKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 6962746 GEVLJELTOZVTGW-STXHMFSFSA-N 343.392 6.149 10 40 EKCB c1ccc2c(c1)ccc1c3ccccc3c3nc4ccccc4nc3c21 5742929 PGYYGCBWRYLFLJ-UHFFFAOYSA-N 330.390 6.243 10 40 EKCB CCOc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 226868038 NHGDZVJXUHSLPD-UWVAXJGDSA-N 325.839 5.565 10 40 EKCB O=C(O)c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21 29109 YSSDNCFNJKGWHI-CDXJDZJCSA-N 341.410 5.365 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 20694920 YUDDPQBUMAOMEO-JTDSTZFVSA-N 340.810 5.383 10 40 EKCB Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(F)cc2)o1 201205 PMOLGDINPGZZAT-UHFFFAOYSA-N 341.773 5.439 10 40 EKCB Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 4959515 UCRPOEDVGWUPTC-IQUTYRLHSA-N 340.810 5.383 10 40 EKCB FC(F)(F)c1ccccc1/N=N/Nc1ccccc1C(F)(F)F 6594725 LXPAEQQYXWIGNG-UHFFFAOYSA-N 333.235 5.835 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 36081381 BRXCXJJFNJFBJD-GJYPPUQNSA-N 340.264 5.584 10 40 EKCB O=C(O)c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21 4714349 YSSDNCFNJKGWHI-MDKPJZGXSA-N 341.410 5.365 10 40 EKCB Cc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 409171156 YHWZSPFORQQEOH-CFZJUORYSA-N 330.258 6.128 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 6721375 LZPULCMYARCGBK-SPYBWZPUSA-N 339.822 5.173 10 40 EKCB Cn1c(-c2ccccc2)cnc1SCc1ccc(C(F)(F)F)cc1 9572228 QXRAJRZOZKLTBL-UHFFFAOYSA-N 348.393 5.398 10 40 EKCB Cc1cccc(Cl)c1/N=N/c1c(C)nc(N)nc1-c1ccccc1 100458960 APIQMGJNWOHEBI-WCWDXBQESA-N 337.814 5.411 10 40 EKCB CC(=O)c1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 4332023 XNLLUKGSUWZNBI-BXWFABGCSA-N 339.822 5.075 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 8276740 KNELOOYDIZEVJM-QMTMVMCOSA-N 330.258 6.128 10 40 EKCB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 1009745 QJHVVYRAJSYOCQ-GDNBJRDFSA-N 345.876 5.054 10 40 EKCB Cc1ccc(C2=C/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)cc1 4471764 AOIXNWBKVVDOLV-UKTHLTGXSA-N 331.198 5.283 10 40 EKCB Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 227157539 XSKIZPCLWLJHKM-UHFFFAOYSA-N 347.201 5.088 10 40 EKCB Cc1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 6968665 FMOSKNHXZVNOLL-WTANOLMUSA-N 340.264 5.584 10 40 EKCB Fc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc1 14549599 ITBYMZMMTQASQH-IYOUNJFTSA-N 334.221 5.959 10 40 EKCB CCCCOc1cc(C2Nc3cccc4cccc(c34)N2)ccc1OC 70453966 MTJIEGPIGCOWLN-UHFFFAOYSA-N 348.446 5.564 10 40 EKCB Fc1ccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)cc1 409162108 CTJQJNQDWWSJDB-GIWBLDEGSA-N 341.429 6.319 10 40 EKCB COc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 409162771 HOFHYZAOUOUXBO-FRQCXROJSA-N 325.839 5.484 10 40 EKCB Cc1c(Cl)cccc1-n1c(CCC(=O)O)ccc1-c1cccs1 94896 FQBOBXSRUFWFLN-UHFFFAOYSA-N 345.851 5.185 10 40 EKCB Cc1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@H]3C=CC[C@@H]32)cc1 4151410 PUHNXMQLZRMICU-ZWOKBUDYSA-N 334.419 5.347 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 6324152 CRWHCJBYGMSYQE-WFXMLNOXSA-N 337.894 6.464 10 40 EKCB O=C1OCC/C1=C/c1ccc(/N=N\c2c(O)ccc3ccccc23)cc1 104251335 INXIOKNAUPYOLQ-SSAIXIOXSA-N 344.370 5.291 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 111441415 UCRPOEDVGWUPTC-TYILLQQXSA-N 340.810 5.383 10 40 EKCB Cc1cc(C(=O)C(F)(F)F)c(C)n1-c1ccc(Cl)c(Cl)c1 225326629 NSFYKABNKKVEGG-UHFFFAOYSA-N 336.140 5.146 10 40 EKCB Cc1cc(C(=O)OCc2ccccc2Cl)c(C)n1-c1ccccc1 3446935 XIOANQYZEQRNOC-UHFFFAOYSA-N 339.822 5.105 10 40 EKCB Cc1cc(/N=N/c2ccccc2)c(C(C)C)cc1/N=N/c1ccccc1 96168946 AOCSNOPVOYYRAN-OGGGYYITSA-N 342.446 7.949 10 40 EKCB O=C(O)c1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1 4172111 FRULYOFBIGPUNF-DYXWJJEUSA-N 341.410 5.365 10 40 EKCB CCc1ccc(/N=N/c2c(F)c(F)c(NC(C)=O)c(F)c2F)cc1 17426993 QKTHHZWMKXATSB-GHVJWSGMSA-N 339.292 5.179 10 40 EKCB CC(C)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 409158285 YADFRNYTNOBBCR-UWVAXJGDSA-N 325.402 5.915 10 40 EKCB Cc1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 409166735 FMOSKNHXZVNOLL-RFUYNDQBSA-N 340.264 5.584 10 40 EKCB Cc1cc(C)c2c(c1)N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 20711329 CVHGTFHKJMDSPF-JZKQVHKSSA-N 344.285 6.437 10 40 EKCB CCOc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1 226868029 FEXFDZKJMHMPLX-GJYPPUQNSA-N 325.839 5.565 10 40 EKCB Cc1cc(C)c2c(c1)N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 180338 JKDMOWOSUDQFLW-QEEYODRMSA-N 344.285 6.437 10 40 EKCB CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 1082957 RWGOYNCGDIHCFK-LQWHRVPQSA-N 333.431 5.335 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)c1 302485 VBHKJPDDOFQAHX-XWCIJXRUSA-N 344.773 5.214 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 4718508 ONJUTHIWGVUHNE-RLFYNMQTSA-N 326.783 5.075 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 6967021 GYMNOOSLNOCKHR-TYILLQQXSA-N 340.810 5.383 10 40 EKCB CCOc1cccc(CNc2cc(C(F)(F)F)ccc2Cl)c1O 57476963 QVZRHTGHDHVQEC-UHFFFAOYSA-N 345.748 5.075 10 40 EKCB O=C1/C(=C/c2c[nH]c3ccccc23)c2ccccc2N1c1ccccc1 4521063 OWLZBHFUVAZRTG-XSFVSMFZSA-N 336.394 5.387 10 40 EKCB COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 6954225 UZHGAKDYGWGITB-VLXJIEOASA-N 346.257 5.829 10 40 EKCB CCN(CC)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21 1752028 UPHGTYDNGXFISV-SXGWCWSVSA-N 343.923 5.968 10 40 EKCB CC(/C=C1\SC(Nc2cc(C)ccc2C)=NC1=O)=C\c1ccccc1 8410876 DHLBVJRRTIJGJW-PQHZQKCXSA-N 348.471 5.332 10 40 EKCB Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 229972529 BVWHDELMXLOWLL-FTLABTOESA-N 331.246 5.402 10 40 EKCB CCCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 2666915 DPCLAUQEJPEXDG-KAMYIIQDSA-N 339.913 5.122 10 40 EKCB CN(C)CC/C=C1\c2ccccc2Sc2cc(F)c(Cl)cc21 33306245 MCRQBNZKVWYOII-KPKJPENVSA-N 333.859 5.327 10 40 EKCB 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CCCCCC1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O 59500748 WUKNMXPSYARZTO-UHFFFAOYSA-N 326.823 5.237 10 40 EKCB Cc1ccc([C@H](Nc2nccs2)c2ccc3ccccc3c2O)cc1 3009383 AQCFBHPMAKNYHW-IBGZPJMESA-N 346.455 5.512 10 40 EKCB COc1ccc2c(c1)CCCN2c1c2ccccc2nc2ccccc12 4365730 UHMXXWDGLRSYLJ-UHFFFAOYSA-N 340.426 5.481 10 40 EKCB Cc1ccc(-n2c(C)cc([C@@H]3Sc4ccccc4NC3=O)c2C)cc1 27753784 UWQOQYDMOPEFDL-FQEVSTJZSA-N 348.471 5.188 10 40 EKCB Cc1cc(/N=N\c2ccccc2)c(C(C)C)cc1/N=N/c1ccccc1 96168945 AOCSNOPVOYYRAN-MRAZZECGSA-N 342.446 7.949 10 40 EKCB Fc1cccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 32181122 JXXTVJTZLCBGMT-NVGCLXPQSA-N 344.227 5.415 10 40 EKCB Brc1cccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)c1 36082138 VCPQKOGBKDNWHV-ZVZYQTTQSA-N 326.237 5.276 10 40 EKCB CC(C)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc1 409158276 YADFRNYTNOBBCR-HLIPFELVSA-N 325.402 5.915 10 40 EKCB COc1ccc(Cl)c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 409159609 OCVGPVLFGQBNSX-FMTVUPSXSA-N 346.257 5.829 10 40 EKCB COc1cccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)c1 8168428 FOUXZTFOXLIZCI-DOXZYTNZSA-N 346.257 5.829 10 40 EKCB C[C@H]1N(C)c2ccc(/C=C/c3ccc4ccccc4n3)cc2C1(C)C 6962182 SHGDMJFXWJPMOJ-ONOODXEBSA-N 328.459 5.521 10 40 EKCB Cc1cccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)c1 226878845 OJCFGKIZPLHBPP-GLJUWKHASA-N 330.258 6.128 10 40 EKCB COC(=O)c1ccc([C@@H]2Nc3c(C(C)C)cccc3[C@@H]3C=CC[C@H]32)cc1 252253004 LUZDOJREFRXSBV-SBHAEUEKSA-N 347.458 5.423 10 40 EKCB Cc1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 408737868 YVAMJWUXNRYNMU-IEZWGBDMSA-N 340.264 5.584 10 40 EKCB Cc1cc(C)c2c(c1)N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 409162217 YNWKTZSODGXJPZ-SIFCLUCFSA-N 343.392 6.149 10 40 EKCB CCN1/C(=C\c2ccc3ccccc3[n+]2CC)Sc2cc(C)ccc21 3656557 RBRVMADVSBTEGC-UHFFFAOYSA-N 347.507 5.386 10 40 EKCB Cc1ccc(/N=N/c2ccccc2)c(NC(=O)Nc2ccccc2F)c1 4797310 UCZLQEUDKKWVIO-OCOZRVBESA-N 348.381 6.194 10 40 EKCB Cc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc1 6966463 BACGYYGUFCUIRE-BXWFABGCSA-N 329.365 5.840 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)cc1 409173520 JGCGIDODUGVBGX-HLIPFELVSA-N 348.446 5.719 10 40 EKCB COc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21 4852944 SKKQABGIWDFDEH-KPLVRAHFSA-N 327.427 5.675 10 40 EKCB CCOc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 6935732 JZLBYRZUPPYQMQ-FRQCXROJSA-N 325.839 5.565 10 40 EKCB CC(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 226677337 MTRRWPVUHNJTNL-LQWHRVPQSA-N 334.419 5.545 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 409165134 SZBBPTVFVLCXGA-QMHWCDLVSA-N 345.873 6.628 10 40 EKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1F 408964679 FDJFBIWGRVKRAP-UHFFFAOYSA-N 330.200 5.354 10 40 EKCB Cc1ccc(Cl)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4183916 XRFOGCLJQPTYEP-KHYOSLBOSA-N 340.810 5.383 10 40 EKCB Cc1ccc(Cl)c2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 4320931 JOGOJDAYENVHIR-KHYOSLBOSA-N 339.822 5.173 10 40 EKCB Cc1noc(/C=C/c2ccc(N(C)C)cc2)c1/N=N/c1ccccc1 5003169 NHCJNWZVZFZTBU-LOINWKKQSA-N 332.407 5.635 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(C)cc(Cl)cc2[C@H]2C=CC[C@@H]21 8336136 FUEYWMBOSHYQAF-AUSJPIAWSA-N 325.839 5.484 10 40 EKCB O=C1/C(=C\c2ccccc2)SC(=S)N1c1cccc2ccccc12 16887820 LSKKIFFKZRYXTM-QGOAFFKASA-N 347.464 5.246 10 40 EKCB Cc1cccc(Oc2ccc3noc4c3c2C(=O)c2ccccc2-4)c1 508042 ZFAWIUBJXCJRKS-UHFFFAOYSA-N 327.339 5.140 10 40 EKCB Cc1ccc(C2=C/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)cc1C 59425569 SQTRCPHWWQCDAY-NTEUORMPSA-N 345.225 5.592 10 40 EKCB CC(C)c1ccc(-c2ccc(/C=C3\SC(=O)NC3=S)o2)cc1 12414282 CKRDIWUZZSYHNY-DHDCSXOGSA-N 329.446 5.195 10 40 EKCB CCN(Cc1c(O)ccc2ccccc12)c1cccc2ccccc12 39379259 YKHZHRAURIBMHO-UHFFFAOYSA-N 327.427 5.725 10 40 EKCB CCc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 409164022 BGRULYLJWHWHBB-AGKSTNPPSA-N 344.285 6.382 10 40 EKCB Cc1ccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)cc1 549260 HUMXPASVXGPBQJ-NRFANRHFSA-N 340.426 5.450 10 40 EKCB in-vitro CCN(CC)c1ccc(CNc2ccc(Br)cc2C)cc1 19233167 QFEUARNYTNUOTA-UHFFFAOYSA-N 347.300 5.216 10 40 EKCB COc1ccc(C)c2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 36081087 POXMFYSMBQPWNX-RFWXGWTQSA-N 341.454 5.983 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 226652816 POAQHBWHGDURCK-GLJUWKHASA-N 330.258 6.128 10 40 EKCB COc1ccc(C)c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 409152906 LMZSJDHKDQWGEO-TYILLQQXSA-N 325.839 5.484 10 40 EKCB C(\Nc1ccccc1)=C1\Sc2ccccc2N=C1c1ccccc1 19819378 MTXGYYLJJTWLQR-HKWRFOASSA-N 328.440 5.867 10 40 EKCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)N1CCCSCC1 84517704 SDCJXSRPJAYSRL-QZQOTICOSA-N 340.452 5.073 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 6967029 SXYMNJNQNIZTGX-PJIJBLCYSA-N 329.365 5.840 10 40 EKCB Cc1ccccc1/N=N/c1ccc(/N=N/c2ccc(N)nc2N)c(C)c1 18153169 ZWQHEBNEUHKFCC-QSZPNPOGSA-N 345.410 5.694 10 40 EKCB Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc13)N2 409151211 ANLCUVJSQBNHLY-PLMTUMEDSA-N 333.381 5.945 10 40 EKCB COc1ccc2ccccc2c1/C=C1/C=C(c2ccc(C)cc2)OC1=O 6814393 XUEGPKVEEUWMCY-AQTBWJFISA-N 342.394 5.138 10 40 EKCB Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 3097226 ZVATYNIUFRUSQL-FCEWJHQRSA-N 340.264 5.584 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 226862194 WTFHVSQCLCMTMD-FTLABTOESA-N 346.257 5.829 10 40 EKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 6962721 GEVLJELTOZVTGW-QEEYODRMSA-N 343.392 6.149 10 40 EKCB Fc1cccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)c1 7097256 PUMVJXYEQJSHRZ-IMSXRSKXSA-N 341.429 6.319 10 40 EKCB COc1ccc(Cl)c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 8115883 OCVGPVLFGQBNSX-PZROIBLQSA-N 346.257 5.829 10 40 EKCB CCc1ccc(N2C(=O)/C(=C/c3sccc3C)SC2=S)cc1 9188798 DFIHAILJUOIHAW-GDNBJRDFSA-N 345.514 5.025 10 40 EKCB COc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)c1 14550096 IZPTXHVCHQTKPX-MPGHIAIKSA-N 346.257 5.829 10 40 EKCB Fc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 226895264 TVVCHPFRZNFHOU-IGCXYCKISA-N 334.221 5.959 10 40 EKCB Cc1ccc(-c2cccc(C(F)F)c2)n1-c1ccc(N(C)C)cc1 390822778 JKPHUXQBIOVSJO-UHFFFAOYSA-N 326.390 5.456 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 8336096 FLKFTUMRESLJJL-FRQCXROJSA-N 340.810 5.383 10 40 EKCB CN(C)c1ccc(CNCCC2(c3ccccc3)CCCCC2)cc1 32092421 VTEVINMCXCVSNA-UHFFFAOYSA-N 336.523 5.134 10 40 EKCB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 6954210 JFAGLZABTTXQKF-BIENJYKASA-N 345.364 5.541 10 40 EKCB Cc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1 6966464 MMLBRMONMFCDPB-HWBMXIPRSA-N 337.466 6.489 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)c1 1461949 AKDONNMSBGSFAF-LXIYXOSZSA-N 344.773 5.214 10 40 EKCB Cc1sc2nc(-c3cc(C)n(-c4ccccc4)c3C)nc(O)c2c1C 408735485 SRWMEMBZKWTRNS-UHFFFAOYSA-N 349.459 5.088 10 40 EKCB Clc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2 101125370 OBNCSWAOEBOXHV-JUXOCIIHSA-N 331.846 6.320 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 226853312 CDXYLJKHFQKHMA-NQCMUKECSA-N 330.258 6.128 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 6721369 AYUZAOKWKBOCBY-QUJCMNEKSA-N 339.822 5.173 10 40 EKCB O=C(O)c1ccccc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 4764016 GVJYWFZLMDJIMA-GHVJWSGMSA-N 345.358 5.053 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)c1 4959506 FEBOSHKPJVMMLR-XAYKYTGQSA-N 326.783 5.075 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 6721370 AYUZAOKWKBOCBY-NQCMUKECSA-N 339.822 5.173 10 40 EKCB O=C1N=C(Nc2ccc(F)cc2)S/C1=C\c1cccc2ccccc12 140534 JCPKVJOOQZTOQJ-PDGQHHTCSA-N 348.402 5.061 10 40 EKCB Oc1nc2ccccc2c(O)c1/N=N/c1cccc(C(F)(F)F)c1 104045351 ORYPRHGBFOTRPT-QURGRASLSA-N 333.269 5.080 10 40 EKCB Cc1cccc([C@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@H]23)c1 43769624 IZUOHUNJPKZQET-QWQRMKEZSA-N 339.822 5.173 10 40 EKCB COc1ccccc1[C@@H]1Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1 2190044 LEUVAYZMWHVPGH-HXUWFJFHSA-N 339.479 5.793 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 4623287 QOIJPAQWTJOHSL-JJRVBVJISA-N 326.783 5.075 10 40 EKCB Fc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 16949822 VAKKSMGEZXSCQP-AGKHESDQSA-N 334.221 5.959 10 40 EKCB CC(C)CC[C@@H]1C[C@@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 100499953 YTEMARBLDWMTHY-BWXASHAWSA-N 335.451 6.113 10 40 EKCB c1ccc(C[n+]2c(-c3ccccc3)csc2Nc2ccccc2)cc1 3019143 UPCXPYPKHNTCAE-UHFFFAOYSA-O 343.475 5.495 10 40 EKCB COc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21 4852940 SKKQABGIWDFDEH-JLMWRMLUSA-N 327.427 5.675 10 40 EKCB Oc1ccc(Cl)cc1CNc1ccc(Cl)cc1C(F)(F)F 20546171 WIMLPBXOPTUVCO-UHFFFAOYSA-N 336.140 5.330 10 40 EKCB COCc1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1 25868949 YQECBNHCLSFVFF-WCWDXBQESA-N 345.402 5.501 10 40 EKCB Clc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 226720243 LGAWKUWFIVZDFQ-MMOPVJDHSA-N 331.846 6.320 10 40 EKCB Cc1cc(C)c2c(c1)N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 4309779 JKDMOWOSUDQFLW-AUSJPIAWSA-N 344.285 6.437 10 40 EKCB CCCCc1ccc(NCc2cc(Br)ccc2O)cc1 44836137 HTFSCWWZGZIPOL-UHFFFAOYSA-N 334.257 5.109 10 40 EKCB O=[N+]([O-])c1ccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1 4156791 XYVREAVYUWSPEO-GRDNDAEWSA-N 326.783 5.075 10 40 EKCB Cc1ccc(-c2cnc(SCC(C)C)n2Cc2ccccc2)cc1 44085433 DOWNPMFMEKBSFI-UHFFFAOYSA-N 336.504 5.655 10 40 EKCB FC(F)(F)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 409160970 RUYVZZCYGDKTSJ-JKIFEVAISA-N 349.783 6.185 10 40 EKCB COc1cccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)c1 409168971 OIVDMALOADVGGF-MDZRGWNJSA-N 345.364 5.541 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 4959512 UCRPOEDVGWUPTC-BIENJYKASA-N 340.810 5.383 10 40 EKCB CCCCOC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 6389844 VDVKYNGBZOSTOA-UHFFFAOYSA-N 333.431 5.410 10 40 EKCB CCc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc1 6943629 ZRAOADWHLOUMSP-ZWOKBUDYSA-N 343.392 6.094 10 40 EKCB Cc1cc(Cl)ccc1-n1c(CCC(=O)O)ccc1-c1ccccc1 408950041 RLIIGDZXFFCYFX-UHFFFAOYSA-N 339.822 5.123 10 40 EKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1cccs1 33818231 QGEQNROLEMDVRB-DTQAZKPQSA-N 346.407 5.522 10 40 EKCB COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 408737392 OJWZIWHRYCDSCO-TYILLQQXSA-N 346.257 5.829 10 40 EKCB CC(C)(C)NCc1cc(C(C)(C)C)cc(-c2ccc(Cl)cc2)c1O 1568065 QXEUTSONLCRQHV-UHFFFAOYSA-N 345.914 5.898 10 40 EKCB Cc1cccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)c1 4363101 WXIRCBZZMUKHCZ-VKJFTORMSA-N 339.822 5.173 10 40 EKCB COc1ccc(Cl)c2c1N[C@H](c1ccccc1F)[C@H]1CC=C[C@H]21 4689721 SELXXTASQCWDBB-PZROIBLQSA-N 329.802 5.314 10 40 EKCB Cc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)cc1 226655487 NOAVUEUTBKZBRW-GLJUWKHASA-N 330.258 6.128 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 409157707 WIQDDCQTFLPECL-XNJGSVPQSA-N 326.783 5.075 10 40 EKCB CCc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 409158945 ULIJJUQFYSLWEE-GUXCAODWSA-N 344.285 6.382 10 40 EKCB FC(F)(F)c1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@@H]21 409168602 MSSFGSHQZFXNQE-ZJNRKIDTSA-N 349.783 6.185 10 40 EKCB Cc1ccccc1NCc1c(O)ccc2cc(Br)ccc12 227388 BMYAUIBRSJJCLM-UHFFFAOYSA-N 342.236 5.228 10 40 EKCB CC(=O)OC(/N=N/c1ccccc1)(c1ccccc1)c1ccccc1 17835718 XSCGWODDSJNARA-GHVJWSGMSA-N 330.387 5.235 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 20295450 GWTKXDBWMKGEHN-SPYBWZPUSA-N 340.810 5.383 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 12628340 ITWOEUKZIACVRE-CPUCHLNUSA-N 344.773 5.214 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 409161595 WEZLBKIVUDIZDD-XNJGSVPQSA-N 344.773 5.214 10 40 EKCB Cc1ccc(C2=C/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1 40865940 ZILPRMPPNAABLS-RIYZIHGNSA-N 331.198 5.283 10 40 EKCB O=C1OC(c2ccc(F)cc2)=C/C1=C\c1c(Cl)cccc1Cl 409052026 PMACKVILJMUEGE-DHZHZOJOSA-N 335.161 5.114 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 4140560 CSENCKNYCFJEOY-PJIJBLCYSA-N 340.264 5.584 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@@H]21 6955696 UVIJTESVECERER-ZJNRKIDTSA-N 345.364 5.541 10 40 EKCB Cc1ccccc1-n1c(C)ccc1-c1ccc(Br)cc1 408968387 YIWQSCLABPFUFT-UHFFFAOYSA-N 326.237 5.524 10 40 EKCB Cc1ccc2c(c1C)N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 409162075 CLAMKTUZNRAEJA-SXGZJXTBSA-N 343.392 6.149 10 40 EKCB COc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)c1 8168445 NCVJEFCEEDKRDR-DEYYWGMASA-N 346.257 5.829 10 40 EKCB Fc1cccc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 4727549 QNFUZBQMMRSRRW-PEBVRCNWSA-N 334.221 5.959 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@H]2C=CC[C@@H]21 7093172 XVRQRZUYVRCPIU-NVGCLXPQSA-N 333.328 5.671 10 40 EKCB Nc1ccc(/N=N\c2ccc(/[N+]([O-])=N/c3ccc(N)cc3)cc2)cc1 100368355 QVHOCYVXLLNMPB-ICHHBZPXSA-N 332.367 5.192 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4183909 XRFOGCLJQPTYEP-YZVOILCLSA-N 340.810 5.383 10 40 EKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(ccc3ccccc23)[C@H]2C=CC[C@@H]21 7098989 LBMLQITUMYNDTG-PNLZDCPESA-N 342.398 5.575 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 250234514 COIGXZAEQJNRCM-VKJFTORMSA-N 344.227 5.415 10 40 EKCB O=[N+]([O-])c1ccccc1[C@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@@H]21 4181767 KBMHBMPVHXODCA-PRXAMGSTSA-N 326.783 5.075 10 40 EKCB CCOc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 20699541 CGZBZPQSGLXTHM-JTDSTZFVSA-N 325.839 5.565 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@H]21 8336086 PADBRLDYNQFHRI-NNMXDRDESA-N 337.894 6.598 10 40 EKCB c1ccc(/N=N\c2cnc(-c3ccccc3)nc2-c2ccccc2)cc1 100059771 MZEGQEZGMZFHAK-QPLCGJKRSA-N 336.398 6.226 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 8336063 IGYGTCPQRYWSBI-TXPKVOOTSA-N 330.258 6.128 10 40 EKCB Cc1ccc2c(c1C)N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 226831637 IWIVLVYUCDDUMZ-QEEYODRMSA-N 344.285 6.437 10 40 EKCB Fc1ccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 4286314 IFPNQZNVTLNVKT-GRDNDAEWSA-N 334.221 5.959 10 40 EKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(ccc3ccccc23)[C@H]2C=CC[C@H]21 7099006 LBMLQITUMYNDTG-GSHUGGBRSA-N 342.398 5.575 10 40 EKCB Cc1ccc(-c2cccc(C(F)F)c2)n1-c1ccc(C(C)C)cc1 390822666 GKEFCTUHXBGKRG-UHFFFAOYSA-N 325.402 6.514 10 40 EKCB CCc1ccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@H]32)cc1 409175082 PPUJWEHSFVYSPQ-OPYAIIAOSA-N 333.431 5.082 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc1 4661121 DCLASWZOVIRYAF-DAYGRLMNSA-N 333.328 5.671 10 40 EKCB Cc1ccc2c(c1C)N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 6967101 CLAMKTUZNRAEJA-MDOVXXIYSA-N 343.392 6.149 10 40 EKCB CCCCN1c2cc(Cl)c(CNC(C)C)cc2[C@H](C)CC1(C)C 260722656 RDNGRWFQFIMYCE-OAHLLOKOSA-N 336.951 5.730 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)c1 4975237 VBHKJPDDOFQAHX-NVGCLXPQSA-N 344.773 5.214 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 12628209 XYISEQVAWNYYNK-ZRGWGRIASA-N 339.822 5.173 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 13389365 XRFOGCLJQPTYEP-SPYBWZPUSA-N 340.810 5.383 10 40 EKCB Clc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)cc1 4309486 UKVXEQUUZSTQOW-IPJJNNNSSA-N 331.846 6.320 10 40 EKCB Oc1ccc(Br)cc1CNc1ccc(Cl)c(Cl)c1 44836212 KZZWQPZILSSHJK-UHFFFAOYSA-N 347.039 5.074 10 40 EKCB Cc1cccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c1 408941539 DVHNQTRHRGBMIJ-UHFFFAOYSA-N 339.822 5.123 10 40 EKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 409158678 SBDDBJSDBXAFFZ-IIYDPXPESA-N 349.783 6.185 10 40 EKCB c1ccc(-c2nc(CN3CCCCCC3)[nH]c2-c2ccccc2)cc1 5532122 UTWARGQQYVQQKM-UHFFFAOYSA-N 331.463 5.120 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 20700495 RNBVETHUSVWMBL-NQCMUKECSA-N 330.258 6.128 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 409153416 HYPRJHPVTSLJHW-CKEIUWERSA-N 326.783 5.075 10 40 EKCB COc1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]21 409154914 OWNVRYSLEXSWJQ-BIENJYKASA-N 345.364 5.541 10 40 EKCB CC(C)(C)c1cc(Br)c(O)c(/N=N/c2ccccc2)c1 100062216 HOPBMWZLWSLZEA-VHEBQXMUSA-N 333.229 5.868 10 40 EKCB FC(F)(F)c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@@H]21 409152595 KJERCJOYANCGAH-BWACUDIHSA-N 349.783 6.185 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 8336104 CFOKWBYRLKCLIJ-KSMMKXTCSA-N 330.258 6.128 10 40 EKCB Cc1ccc(-c2ccc(C(F)F)cc2)n1-c1ccc(C(C)C)cc1 390822920 NIXSFDISRMDPKW-UHFFFAOYSA-N 325.402 6.514 10 40 EKCB CCc1ccc(C2=C/C(=C/c3cccc4ccccc34)C(=O)O2)cc1 2058786 UDWVAYCOVHFQQH-ZHZULCJRSA-N 326.395 5.384 10 40 EKCB CC(C)c1cccc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 6347732 LWVOPZVLLLSZCM-NLWGTHIKSA-N 334.419 5.545 10 40 EKCB Cc1c(Cl)c(-c2sc3ncccc3c2O)nc2ccccc12 6590013 QFJKZXXZXOMXNJ-UHFFFAOYSA-N 326.808 5.179 10 40 EKCB CN(C)c1ccc(/C=C2/C=Cc3ccccc32)cc1Br 17377814 IYQRNZSQZVRJOH-PTNGSMBKSA-N 326.237 5.083 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 409167342 IGYGTCPQRYWSBI-GPMSIDNRSA-N 330.258 6.128 10 40 EKCB CCOc1cccc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 20695078 JZLBYRZUPPYQMQ-JTDSTZFVSA-N 325.839 5.565 10 40 EKCB CC(=C/c1ccccc1)/C=C1\SC(Nc2ccc(C)c(C)c2)=NC1=O 5852842 GBYGLZPVJFPIGF-FLJQVKMMSA-N 348.471 5.332 10 40 EKCB Oc1c(Cl)cc(Cl)cc1C1Nc2cccc3cccc(c23)N1 94435 SVKBFMKMLZRWRS-UHFFFAOYSA-N 331.202 5.388 10 40 EKCB Brc1ccccc1[C@@H]1Nc2ccccc2[C@H]2C=CC[C@@H]21 4151370 BPTGFMCTVQMOHX-UVBSCNOISA-N 326.237 5.276 10 40 EKCB Brc1ccccc1/N=N/c1ccccc1Br 18142035 PLBYCASTSHVECW-FOCLMDBBSA-N 340.018 5.627 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]32)cc1 409151700 BXEMYFIDOUOVGK-OPYAIIAOSA-N 347.458 5.509 10 40 EKCB CC(C)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1 94884 ZOPGVOZYBCXHSX-UHFFFAOYSA-N 339.460 5.346 10 40 EKCB Fc1cccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@@H]32)c1 409158582 XRSOVDKRHLOLFY-DEYYWGMASA-N 334.221 5.959 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 6721374 LZPULCMYARCGBK-ZRGWGRIASA-N 339.822 5.173 10 40 EKCB Cc1ccccc1-n1c(C)cc([C@H]2NN=C(c3ccccc3)S2)c1C 6969369 NRLAIOPPRDXQOM-NRFANRHFSA-N 347.487 5.099 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2 58929018 WFPGZINONMCWQD-RLFDGXBXSA-N 344.773 5.214 10 40 EKCB COc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21 6954834 VALWTPIONXDUMR-LXIYXOSZSA-N 345.364 5.541 10 40 EKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C/c1cccc(Cl)c1 35624699 CTUCPMHEKMUNQP-NTEUORMPSA-N 349.242 5.076 10 40 EKCB Cc1ccc(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 111504650 LNVUHIONWPNETP-UHFFFAOYSA-N 346.257 5.980 10 40 EKCB Cc1ccc(-c2nc3c(C)cccn3c2Nc2c(C)cccc2C)o1 201167 QLNBKQCMJMOFHP-UHFFFAOYSA-N 331.419 5.572 10 40 EKCB Oc1ccc2ccccc2c1/N=N/c1nc(-c2ccccc2)cs1 4016633 ANSFISXLWCECMK-QURGRASLSA-N 331.400 6.084 10 40 EKCB CCN(CC)Cc1cc(C(C)(C)CC)cc(C2CCCCC2)c1O 1683271 MCVLAFQTTBBICT-UHFFFAOYSA-N 331.544 5.969 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 8336090 QVSLMHWONDMOKI-FRQCXROJSA-N 340.810 5.383 10 40 EKCB Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1/N=N/c1ccccc1 40385279 SPDHNYGVLPAJBJ-WCWDXBQESA-N 341.418 5.737 10 40 EKCB CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 13389461 OXQOEHFBIMXJJM-MDOVXXIYSA-N 325.839 5.565 10 40 EKCB Cc1ccccc1/N=N\c1ccc(/N=N/c2ccc(N)nc2N)c(C)c1 104229772 ZWQHEBNEUHKFCC-HXEHWPEMSA-N 345.410 5.694 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(OC(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc1 4117490 BCFPQQDDNLGFIC-DAYGRLMNSA-N 349.327 5.551 10 40 EKCB COc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)c1OC 8168999 NONUBNFJDDEJJJ-CKFHNAJUSA-N 341.838 5.184 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)cc1 409162871 IWNUEZBTQIZNSA-HLIPFELVSA-N 339.429 6.089 10 40 EKCB CCCCCN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 2666907 XVDUPNGGODARJD-SSZFMOIBSA-N 347.549 5.376 10 40 EKCB Fc1ccc([C@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc1 4661122 DCLASWZOVIRYAF-RLFYNMQTSA-N 333.328 5.671 10 40 EKCB Cc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 6968661 YHWZSPFORQQEOH-UHYGZKCKSA-N 330.258 6.128 10 40 EKCB COc1cccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)c1 20755138 FOUXZTFOXLIZCI-CLCXKQKWSA-N 346.257 5.829 10 40 EKCB COc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1OC 226859264 PLYGVCSZODIYCM-SIFCLUCFSA-N 341.838 5.184 10 40 EKCB COc1ccc(Cl)c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 409159611 OCVGPVLFGQBNSX-SOZUMNATSA-N 346.257 5.829 10 40 EKCB Cc1c(-c2ccc(Br)cc2)cn2c1-c1ccc(C)n1CC2 271219 OXYSNZOUDBEMEB-UHFFFAOYSA-N 341.252 5.017 10 40 EKCB CCN(CC)c1ccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 6869709 CUAVEEBTECSEEZ-SZYSYYJISA-N 340.555 5.227 10 40 EKCB COc1ccc(-n2c(-c3ccc(C)cc3)cc3c2C[C@H](C)CC3=O)cc1 6898065 LSPHITCDWYSHPG-INIZCTEOSA-N 345.442 5.226 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 226853328 CDXYLJKHFQKHMA-VPZZIHKRSA-N 330.258 6.128 10 40 EKCB Cc1ccc2nc(-c3ccc(C)o3)c(Nc3ccc(C(C)C)cc3)n2c1 426774 OCIOLJFQSRUPKF-UHFFFAOYSA-N 345.446 6.078 10 40 EKCB Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 4713379 ZVATYNIUFRUSQL-BXWFABGCSA-N 340.264 5.584 10 40 EKCB Cc1ccc(C(=O)C(=O)c2ccccc2-c2ccccc2)c(Cl)c1 409196762 XMSBJOJTJSYUNL-UHFFFAOYSA-N 334.802 5.381 10 40 EKCB C1=C[C@@H]2c3c(ccc4ccccc34)N[C@@H](c3cccc4ccccc34)[C@@H]2C1 2070529 KXJJUWSWIKOUNP-SYVJQLTCSA-N 347.461 6.820 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21 409158547 RJJUJLRQUIQBID-TYILLQQXSA-N 339.822 5.173 10 40 EKCB Cc1ccc(C)c(C2=C/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)c1 4471717 IJNXVYVORMATBX-RIYZIHGNSA-N 345.225 5.592 10 40 EKCB COc1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@H]21 6954838 AAIIZNBFPYTRHH-VEVIJQCQSA-N 346.257 5.829 10 40 EKCB O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)C(F)(F)F 226306822 BQEMEKUCQQFSAC-UHFFFAOYSA-N 331.293 5.133 10 40 EKCB FC(F)(F)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 409158679 SBDDBJSDBXAFFZ-PBFPGSCMSA-N 349.783 6.185 10 40 EKCB Fc1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]21 409150785 DRRBOMYDEVHTAG-SEDUGSJDSA-N 334.221 5.959 10 40 EKCB CCc1ccc(/N=N/c2ccc(-c3ccc(NC(C)=O)cc3)cc2)cc1 18097127 NXVVPPAUEPHMJZ-OCOZRVBESA-N 343.430 6.290 10 40 EKCB Nc1ccc(/N=[N+](\[O-])c2ccc(/N=N/c3ccc(N)cc3)cc2)cc1 18285111 QVHOCYVXLLNMPB-ZCAPXNBXSA-N 332.367 5.192 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 409171212 ZJHAXPIFBUMFEH-XNJGSVPQSA-N 344.773 5.214 10 40 EKCB CCCC[C@H](CC)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 5862601 CPRSWUPLLHYFNH-YSKWHIJTSA-N 347.549 5.413 10 40 EKCB CCOc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1O 44836385 UOZCICNACQELDF-UHFFFAOYSA-N 335.403 5.195 10 40 EKCB Cc1ccc(-c2n[nH]c(N)c2/N=N/c2cccc(Cl)c2C)cc1 96316540 MZEPJOYPJMJTRQ-LSDHQDQOSA-N 325.803 5.345 10 40 EKCB COc1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1 226781939 YJBUWBJXZNVNEO-URVUXULASA-N 327.427 5.675 10 40 EKCB Cc1ccc(-c2nc3cccc(C)n3c2Nc2cccc(Cl)c2)o1 35616129 JZWSKMWKXFIGTC-UHFFFAOYSA-N 337.810 5.608 10 40 EKCB COc1cccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)c1OC 409154867 KTLFVBOSIPJKMS-FHSNZYRGSA-N 341.838 5.184 10 40 EKCB Fc1cccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@H]32)c1 409159816 VDAPGRSFKLRFKI-AHIWAGSCSA-N 334.221 5.959 10 40 EKCB Cc1cc(C)cc(N2COc3ccc(/N=N/c4ccccc4)cc3C2)c1 5054914 BFXMOCKKBYRWAL-WCWDXBQESA-N 343.430 6.075 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 6962842 ITHRBPDEIDRBSG-MDZRGWNJSA-N 338.382 5.177 10 40 EKCB CCCCCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 16790586 UTGZGCBHAGJKJA-SVJYBPAOSA-N 331.506 5.024 10 40 EKCB Cc1cc(/N=N/c2ccc(/N=N/c3ccccc3C)cc2C)ccc1O 17862796 BVFQNOYGMVCKDW-BQASJOSNSA-N 344.418 7.148 10 40 EKCB Cc1ccc(Cl)cc1NC(=O)c1ccccc1-n1c(C)ccc1C 7468149 ISKFBZRCZRMDLV-UHFFFAOYSA-N 338.838 5.308 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 8336093 IGYGTCPQRYWSBI-FRQCXROJSA-N 330.258 6.128 10 40 EKCB Cc1ccc(OCC(=O)Nc2ccc(/N=N\c3ccccc3)cc2)cc1 102801112 ZMJLAQBTHXYVCF-VHXPQNKSSA-N 345.402 5.428 10 40 EKCB CN(C)c1ccc(/C=C\N=N/c2ccc(Br)cc2)cc1 104039256 CFLNSXZUTJPSKS-GMRTXPORSA-N 330.229 5.270 10 40 EKCB Clc1ccc([C@@H]2Nc3c(ccc4ccccc34)[C@@H]3C=CC[C@@H]32)cc1 226732994 NORASXVEFYWTDX-DYXWJJEUSA-N 331.846 6.320 10 40 EKCB Cc1ccc(C)n1-c1ccc(Oc2ccc(Br)cc2)cc1 173104 JIIBPDNQYCXJTK-UHFFFAOYSA-N 342.236 5.649 10 40 EKCB O=C1S/C(=C\c2ccc(Cl)cc2)C(=S)N1c1ccccc1 2711564 PLTLHYIOUZJTTQ-UVTDQMKNSA-N 331.849 5.382 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58929029 WEZLBKIVUDIZDD-IGCXYCKISA-N 344.773 5.214 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)c1 111441376 VBHKJPDDOFQAHX-PSTGCABASA-N 344.773 5.214 10 40 EKCB Cc1ccc(-n2c(C)cc(C(=S)N3CCCCC3)c2C)cc1Cl 409196778 XRKBPOLCDNFGBR-UHFFFAOYSA-N 346.927 5.217 10 40 EKCB Fc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21 1418693 FJVYZNUTOQCQBB-PRXAMGSTSA-N 333.328 5.671 10 40 EKCB CC1=NN(c2cccc(Cl)c2C)C(=O)/C1=C/c1ccc(Cl)cc1 368188 ZVNCIGKEQFWBAM-XNTDXEJSSA-N 345.229 5.108 10 40 EKCB CCCC[C@H](CC)CN1C(=O)/C(=C/c2ccccc2)SC1=S 2696953 SXDTYMIQWDPEIE-QXPQOBGOSA-N 333.522 5.104 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1 7096887 ITZUDXBPACTJRD-LGVFNWMJSA-N 341.429 6.319 10 40 EKCB c1ccc(/N=N\C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100214361 YFMFSCRSAWIWOP-RQZHXJHFSA-N 348.449 6.762 10 40 EKCB O=[N+]([O-])c1cc([C@@H]2Nc3ccc(F)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl 226742649 CXPAZWNIFRNBBB-VBHSOAQHSA-N 344.773 5.214 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1 409159371 TWAUNHZYGPIFAB-KEYYUXOJSA-N 334.221 5.959 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 408736072 DAISSBHJHKOJEQ-YIGJPRQDSA-N 341.429 5.904 10 40 EKCB Oc1c([C@@H](Nc2ccccc2)c2ccccc2)ccc2cccnc12 37822 OTNAVATYWOEDMK-FQEVSTJZSA-N 326.399 5.142 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 6944044 ABXYIXFQCGWGNI-ARGWCVDVSA-N 344.285 6.382 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 409153426 HYPRJHPVTSLJHW-KEYYUXOJSA-N 326.783 5.075 10 40 EKCB Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2 409151209 ANLCUVJSQBNHLY-MMOPVJDHSA-N 333.381 5.945 10 40 EKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)ccc1Cl 14470851 GJRRXPCSCIKNIM-JKDFXYPNSA-N 344.773 5.214 10 40 EKCB Cc1cc(/N=N\c2ccc(/N=N/c3ccccc3C)cc2C)ccc1O 104366956 BVFQNOYGMVCKDW-KUXGFVDGSA-N 344.418 7.148 10 40 EKCB COc1ccc2nc3cc(Cl)ccc3c(Nc3nccs3)c2c1 5488324 ASOFDWBPCAKCCH-UHFFFAOYSA-N 341.823 5.250 10 40 EKCB Fc1cccc([C@@H]2Nc3c(-c4ccccc4)cccc3[C@@H]3C=CC[C@@H]32)c1 409153925 MZLAPNHWIUXPHX-GIWBLDEGSA-N 341.429 6.319 10 40 EKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 4163947 RPXNVRXONVBSFU-GJYPPUQNSA-N 339.822 5.173 10 40 EKCB O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1c1ccccc1 1005527 DRDRHPPOMAWDOA-AQTBWJFISA-N 347.464 5.246 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@H]21 8336083 RYMJEQZBCQDNMS-FRQCXROJSA-N 339.822 5.173 10 40 EKCB CC(C)Oc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 408744166 XFXSAZXRAGRRQR-LFIBNONCSA-N 340.806 5.109 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 409158428 XKIKCQSQCLZTBD-CPUCHLNUSA-N 344.773 5.214 10 40 EKCB Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1ccc(C(=O)O)cc1 409189268 OFNAHXKCFCCTMX-UHFFFAOYSA-N 348.427 5.069 10 40 EKCB Cc1c(C(C)(C)C)cc(C(C)(C)C)c(O)c1CNC1CCCCC1 1679801 BTNFUQQIIWPARS-UHFFFAOYSA-N 331.544 5.718 10 40 EKCB Cc1ccc(/N=N/c2sc(=N)[nH]c2-c2ccc(Cl)cc2)cc1 16956113 XRHHYXLUFCGQKZ-QZQOTICOSA-N 328.828 5.600 10 40 EKCB COc1ccc(Cl)c2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 4825525 JQRBCYRXMJSMHL-IYOUNJFTSA-N 329.802 5.314 10 40 EKCB Fc1cccc2c1N[C@@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 66319766 JXXTVJTZLCBGMT-PSTGCABASA-N 344.227 5.415 10 40 EKCB Cc1ccc(C)c([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)c1 408736076 DCNKXYFKYSBHHI-BIENJYKASA-N 344.285 6.437 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21 409172351 CTMGHAOEWKGNPN-NQCMUKECSA-N 339.822 5.173 10 40 EKCB CCN1/C(=C/c2sc3ccccc3[n+]2CC)C=Cc2ccccc21 3146748 UJCNDPYFYMAVSQ-UHFFFAOYSA-N 333.480 5.103 10 40 EKCB CC(C)c1ccc(-c2ccc(/C=C3/SC(=O)NC3=S)o2)cc1 5032634 CKRDIWUZZSYHNY-OQLLNIDSSA-N 329.446 5.195 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 6324093 WIIBDLVLCILWFT-UEXGIBASSA-N 348.446 5.719 10 40 EKCB CCc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)cc1 409154824 KWNDRZWYSBJIJA-MDZRGWNJSA-N 344.285 6.382 10 40 EKCB Cc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1 6966459 UACQIXPDFBOADR-DAYGRLMNSA-N 329.365 5.840 10 40 EKCB c1ccc2c(NC[C@H]3CCCN4CCCC[C@@H]34)c3ccccc3nc2c1 17610839 FPAWCCDZRXZGTH-VGSWGCGISA-N 345.490 5.064 10 40 EKCB C(\NCc1ccccc1)=C1\Sc2ccccc2N=C1c1ccccc1 21005827 WVEAXPKHEIABGB-PGMHBOJBSA-N 342.467 5.544 10 40 EKCB CN(C)c1ccc(/N=N/c2cc(C(F)(F)F)ccc2Cl)cc1 70461094 JKABUWOKAVANOP-QZQOTICOSA-N 327.737 5.840 10 40 EKCB COc1ccc(C)c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 409152901 LMZSJDHKDQWGEO-NJSLBKSFSA-N 325.839 5.484 10 40 EKCB Cc1ccc(N2C(=O)/C(=C\c3sccc3C)SC2=S)cc1C 9232326 VYYICVVCAQMSIJ-OQLLNIDSSA-N 345.514 5.079 10 40 EKCB CN(C)CC/C=C1/c2ccccc2C(C)(C)c2ccc(Cl)cc21 1718763 XOEORRKMZPENHA-SXGWCWSVSA-N 325.883 5.363 10 40 EKCB Oc1c(/N=N/c2ccc(Br)cc2)ccc2ccccc12 4844122 VDCQPBQRBMKESR-VHEBQXMUSA-N 327.181 5.723 10 40 EKCB O=C(/C=C/c1nccs1)Nc1ccc(/N=N/c2ccccc2)cc1 72270532 ZTJWGFQFDOKFOH-UQFIQJEOSA-N 334.404 5.210 10 40 EKCB Nc1ccc(/N=N\c2ccc(/[N+]([O-])=N\c3ccc(N)cc3)cc2)cc1 100368350 QVHOCYVXLLNMPB-KATZTRTISA-N 332.367 5.192 10 40 EKCB Fc1ccc([C@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3C=CC[C@@H]32)cc1 4718766 SVIXQZGYDRQRMJ-GDZNZVCISA-N 334.221 5.959 10 40 EKCB Brc1ccccc1[C@H]1Nc2ccccc2[C@H]2C=CC[C@H]21 972002 BPTGFMCTVQMOHX-DFHBCGBQSA-N 326.237 5.276 10 40 EKCB Cc1ccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@@H]32)cc1 4501465 PUHNXMQLZRMICU-UWVAXJGDSA-N 334.419 5.347 10 40 EKCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1F 408966008 KWGQHGVCTXPXGC-UHFFFAOYSA-N 348.190 5.493 10 40 EKCB Cc1ccc(Cl)cc1NC(=O)c1cccc(-n2c(C)ccc2C)c1 7468146 HVQFVSMWWXMNQE-UHFFFAOYSA-N 338.838 5.308 10 40 EKCB Cc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1 9188712 OMIQYXYGCAFOIP-BOPFTXTBSA-N 339.485 5.018 10 40 EKCB CCCOc1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 408736433 SNJZJHHUQWSEPT-LQWHRVPQSA-N 339.866 5.955 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 6721368 AYUZAOKWKBOCBY-JMERFSKESA-N 339.822 5.173 10 40 EKCB Fc1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@H]21 7096996 TZZIQOIZIGLBPE-KHCICDEESA-N 341.429 6.319 10 40 EKCB CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc(O)c(CN(C)C)c1 1616031 YKKNAUUKHXFHON-NHCUHLMSSA-N 341.495 5.150 10 40 EKCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccccc3C)SC2=S)c1 5371139 UBZYEWXPHGTTJC-BOPFTXTBSA-N 339.485 5.018 10 40 EKCB Cc1c(Cl)cccc1NC(=O)c1ccccc1-n1c(C)ccc1C 7468138 UXNIBZSAJRUNCE-UHFFFAOYSA-N 338.838 5.308 10 40 EKCB Brc1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]21 4151371 BPTGFMCTVQMOHX-WPKBUWHJSA-N 326.237 5.276 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]32)cc1 409154297 GMYUFYRIIBSCFC-GLJUWKHASA-N 339.822 5.173 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)c1 409159378 TWAUNHZYGPIFAB-ZQIUZPCESA-N 334.221 5.959 10 40 EKCB Cc1ccc(C2=C/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)c(C)c1 38260517 VZNNOJVDUMZXLX-UKTHLTGXSA-N 345.225 5.592 10 40 EKCB CN(C)CC/C=C1\c2ccccc2Sc2ccc(C(F)(F)F)cc21 31545166 XVQXETRXWKTQSQ-VGOFMYFVSA-N 349.421 5.553 10 40 EKCB Cc1nc2c(-c3ccccc3)c(C)nn2c(O)c1/N=N/c1ccccc1 102837762 PBFIGZAZUCCSCT-GHVJWSGMSA-N 343.390 5.134 10 40 EKCB O=C(Nc1ccc(F)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 4015779 DKUJKKGDDYWHID-WCWDXBQESA-N 334.354 5.885 10 40 EKCB COc1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)c1 409165566 ZOLHHARSBGUCGN-VKJFTORMSA-N 345.364 5.541 10 40 EKCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1cccc(Cl)c1 4426172 CTUCPMHEKMUNQP-ZROIWOOFSA-N 349.242 5.076 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@H]21 17703771 BTMMLBOIHZUZIS-SNUQEOBHSA-N 346.257 5.829 10 40 EKCB CC(C)(C)c1ccc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc1 4743229 ZQCAKDUIFZNGQS-VBKFSLOCSA-N 338.834 5.619 10 40 EKCB COc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)c1OC 8168986 NONUBNFJDDEJJJ-IQUTYRLHSA-N 341.838 5.184 10 40 EKCB Fc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc1 20754198 ITBYMZMMTQASQH-LBTNJELSSA-N 334.221 5.959 10 40 EKCB Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 408736487 WITBSGAPHLJGCY-VKJFTORMSA-N 344.227 5.415 10 40 EKCB COc1cc(/N=N/c2ccc3c(c2)Cc2ccccc2-3)c(OC)cc1N 17823869 VKXWFCLAWFAWPO-WCWDXBQESA-N 345.402 5.273 10 40 EKCB Cc1ccc(/N=N\c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 110294188 SRVYOCAKPXVEHK-FCQUAONHSA-N 341.370 5.211 10 40 EKCB Clc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)cc1 4309487 UKVXEQUUZSTQOW-KNKQGSTJSA-N 331.846 6.320 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)cc1 6324082 BXEMYFIDOUOVGK-UEXGIBASSA-N 347.458 5.509 10 40 EKCB c1ccc(/N=N/c2ccc(-n3nncc3-c3ccccc3)cc2)cc1 4930134 QZOSCDLBSHFHKD-GHVJWSGMSA-N 325.375 5.350 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@H]21 6963512 DAAKVIHLYVAONQ-NNMXDRDESA-N 348.446 5.853 10 40 EKCB COc1cccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)c1 8168387 FOUXZTFOXLIZCI-KHYOSLBOSA-N 346.257 5.829 10 40 EKCB COc1cc2c(cc1NC[C@H]1CC1(Cl)Cl)oc1ccccc12 32899538 GUUQODAESLRYAI-SNVBAGLBSA-N 336.218 5.200 10 40 EKCB CCOC(=O)c1ccc(/N=N/c2sc3ccccc3c2O)cc1 102035671 BOOQOUFFCJXTFU-VHEBQXMUSA-N 326.377 5.199 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 409152579 JOWOWNWIHNARPN-RKVPGOIHSA-N 340.810 5.383 10 40 EKCB CCc1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CC=C[C@@H]21 409159460 ZYOSNOKLQQTJQL-YYFZDKIDSA-N 344.285 6.382 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 409171703 FLKFTUMRESLJJL-JTDSTZFVSA-N 340.810 5.383 10 40 EKCB O=C1c2cc(Cl)c(Cl)cc2C(=O)c2cc(Cl)c(Cl)cc21 5002654 BCMITYXXUHCICI-UHFFFAOYSA-N 345.996 5.076 10 40 EKCB Cc1ccc(Cl)c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 8371345 RNBVETHUSVWMBL-QUJCMNEKSA-N 330.258 6.128 10 40 EKCB Cc1cccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)c1 5371159 NPLOHNLJAVROBL-BOPFTXTBSA-N 339.485 5.018 10 40 EKCB O=C(Nc1ccc(Cl)cc1)Nc1c2ccccc2nc2ccccc12 19015420 MPTMBHZGUUOZIM-UHFFFAOYSA-N 347.805 5.685 10 40 EKCB CCN1C(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)c2ccccc21 409202126 ZXWGPJXRAACVSK-XSFVSMFZSA-N 334.463 5.127 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 229953915 ZVATYNIUFRUSQL-GPMSIDNRSA-N 340.264 5.584 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 5741291 GXEYAHWHGILHHG-MMOPVJDHSA-N 342.398 5.575 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 6967024 SXYMNJNQNIZTGX-BIENJYKASA-N 329.365 5.840 10 40 EKCB Cc1ccc(N2COc3ccc(/N=N/c4ccccc4)cc3C2)c(C)c1 4140830 HHBBXYMIXDZYPW-WCWDXBQESA-N 343.430 6.075 10 40 EKCB CC[n+]1c(/C=C2\C=Cc3ccc(C)cc3N2C)ccc2cc(C)ccc21 3656512 CTRFRXQMMRLDRG-UHFFFAOYSA-N 341.478 5.268 10 40 EKCB Cc1cc(C)c2c(c1)N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21 226680160 AVYKCLXYUZMRCC-IZIIKQMZSA-N 325.455 6.283 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(C)cc(Cl)cc2[C@@H]2C=CC[C@@H]21 409150995 FUEYWMBOSHYQAF-QEEYODRMSA-N 325.839 5.484 10 40 EKCB Fc1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 7093075 FBIMYVXCMDIONZ-ZJNRKIDTSA-N 333.328 5.671 10 40 EKCB Cc1cccc(-c2c(O)c3ccccc3c3nc4ccccc4nc23)c1 18179539 HIFMFYDVYQGTMH-UHFFFAOYSA-N 336.394 5.617 10 40 EKCB Fc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 205875609 HDJQUGUPWOYXIM-VKJFTORMSA-N 344.227 5.415 10 40 EKCB CCc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 409152538 BKUKMNFOAQWQKU-NBQZKYEYSA-N 343.392 6.094 10 40 EKCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(-c2ccccc2)o1 5557311 FECLMXXIAKYNPH-AQTBWJFISA-N 346.411 5.029 10 40 EKCB O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cccc3[C@@H]3C=CC[C@H]32)ccc1Cl 250101022 GJRRXPCSCIKNIM-QFSBIZTOSA-N 344.773 5.214 10 40 EKCB CCc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21 6944842 BKUKMNFOAQWQKU-IIMJZQEZSA-N 343.392 6.094 10 40 EKCB Cc1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 6968655 RQLIEBFPAKXTTQ-HHXXYDBFSA-N 340.264 5.584 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@H]21 20749290 WTFHVSQCLCMTMD-SEDUGSJDSA-N 346.257 5.829 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1CC=C[C@@H]21 409175499 RYMJEQZBCQDNMS-GPMSIDNRSA-N 339.822 5.173 10 40 EKCB Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 975486 BVWHDELMXLOWLL-VNBZBWLYSA-N 331.246 5.402 10 40 EKCB Cc1ccc([C@@H](Nc2nccs2)c2ccc3ccccc3c2O)cc1 3009386 AQCFBHPMAKNYHW-LJQANCHMSA-N 346.455 5.512 10 40 EKCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(CC)cc1 103918824 HVJOVUBZYONPHL-PGMHBOJBSA-N 347.462 5.138 10 40 EKCB Cc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 226670111 IOCGWRQQDHGLNY-VCBZYWHSSA-N 330.258 6.128 10 40 EKCB CCCCc1ccc(NC2=NC(=O)/C(=C/c3cccs3)S2)cc1 6569836 CVROSMROYVFAMO-VBKFSLOCSA-N 342.489 5.173 10 40 EKCB Oc1ccc(Cl)cc1CNc1ccc(Cl)c(C(F)(F)F)c1 37009860 OZPRVLZAFYFSGH-UHFFFAOYSA-N 336.140 5.330 10 40 EKCB COc1cccc(-n2c(C)ccc2-c2ccc(Br)cc2)c1 199744768 LOYIPWQQBSAIOF-UHFFFAOYSA-N 342.236 5.224 10 40 EKCB Cc1ccc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)s1 409051907 OTENIUVMKOGDRO-CPNJWEJPSA-N 344.435 5.705 10 40 EKCB CC1=CC(C)(C)NC(=S)N1c1ccc(/N=N/c2ccccc2)cc1 18181452 QLDDJCCDCRGLHF-QURGRASLSA-N 336.464 5.479 10 40 EKCB CC[C@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc(O)c(CN(C)C)c1 1616029 YKKNAUUKHXFHON-RTWAWAEBSA-N 341.495 5.150 10 40 EKCB COc1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 3998631 HUEJRZIDSOSUHH-OAVHHTNSSA-N 346.257 5.829 10 40 EKCB Fc1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 5243042 VAKKSMGEZXSCQP-VGTOOOLASA-N 334.221 5.959 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 409151561 CFOKWBYRLKCLIJ-TYILLQQXSA-N 330.258 6.128 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 6943937 XUWXYHSBSSCURJ-QEEYODRMSA-N 344.285 6.382 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@@H]21 409158541 RJJUJLRQUIQBID-LPMFXHHGSA-N 339.822 5.173 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@@H]21 409164876 PADBRLDYNQFHRI-WOIUINJBSA-N 337.894 6.598 10 40 EKCB Fc1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)c1 409165398 XTSMZNZYPVJSOT-KEYYUXOJSA-N 333.328 5.671 10 40 EKCB Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)c2cc(C)n(C)n2)cc1 4652366 YDJSYUXHSGWXII-GHVJWSGMSA-N 347.422 5.013 10 40 EKCB CCc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@@H]2c1ccccc1O 17072561 SIRZIHWJQKFKPI-GOSISDBHSA-N 349.409 5.043 10 40 EKCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@@H]21 4501460 KBMHBMPVHXODCA-BWACUDIHSA-N 326.783 5.075 10 40 EKCB Fc1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@@H]21 409150781 DRRBOMYDEVHTAG-FTLABTOESA-N 334.221 5.959 10 40 EKCB Oc1c(-c2ccc(F)cc2)c2nc3ccccc3nc2c2ccccc12 18283453 PNAQJYYWTTZBAZ-UHFFFAOYSA-N 340.357 5.448 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 409156763 TTWBDPRUKCQTGC-JTDSTZFVSA-N 330.258 6.128 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 409174082 LDVSISJNFFENMD-SIFCLUCFSA-N 343.392 6.094 10 40 EKCB CCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 4682571 LAQYDZLTZPFPME-LTGZKZEYSA-N 348.446 5.062 10 40 EKCB Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(C)cc(C)c2)cc1 94851 LUJGFYJVWVIIHB-UHFFFAOYSA-N 333.431 5.087 10 40 EKCB Fc1cccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@H]32)c1 7096930 PUMVJXYEQJSHRZ-LGVFNWMJSA-N 341.429 6.319 10 40 EKCB CC(C)c1ccc2c(c1)/C(=C\CCN(C)C)c1ccc(F)cc1S2 33306240 BSQQVIBIPIIXHP-FMQZQXMHSA-N 341.495 5.797 10 40 EKCB COc1cccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)c1 409166637 FOFCCIQLSTUKHL-HLIPFELVSA-N 325.839 5.484 10 40 EKCB O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc2ccccc2c1 408950901 SPAWOVJONJZLKU-UHFFFAOYSA-N 347.439 5.376 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@@H]2C=CC[C@H]21 409156890 UDASVPTYZHGHNG-MFSJNOQSSA-N 341.429 6.319 10 40 EKCB O=[N+]([O-])c1ccccc1[C@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@@H]21 4866573 NJPIZHHLAIMUSN-LXIYXOSZSA-N 326.783 5.075 10 40 EKCB Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 12447477 NWOKVVMITQCBBE-GDNBJRDFSA-N 345.876 5.054 10 40 EKCB Cc1cc(/[N+]([O-])=N/c2ccccc2)ccc1[N+]([O-])=Nc1ccccc1 245238812 BDPMBHISELKTSQ-XVWUMQNBSA-N 332.363 5.846 10 40 EKCB CC(=C/c1ccccc1)/C=C1\SC(Nc2cccc(C)c2)=NC1=O 5797687 KIBXIHOXVUEGOI-NHQONVEKSA-N 334.444 5.024 10 40 EKCB CCOc1cccc2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 6935719 CGZBZPQSGLXTHM-FRQCXROJSA-N 325.839 5.565 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 409171209 ZJHAXPIFBUMFEH-IIYDPXPESA-N 344.773 5.214 10 40 EKCB COc1cccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@@H]32)c1 226801694 FRSBBEMRGUALDC-GLJUWKHASA-N 346.257 5.829 10 40 EKCB Oc1cc(C(c2ccccc2)c2ccccc2)c2ccccc2c1O 4783170 XVDBIBLYJRSWST-UHFFFAOYSA-N 326.395 5.431 10 40 EKCB CCOC(=O)Nc1cc2ccccc2c(/N=N/c2ccccc2)c1O 17156284 GRKADAZUWRLCSL-QURGRASLSA-N 335.363 5.529 10 40 EKCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C(C)C)c2ccccc12 408903827 AABRHAYTJRUFDQ-DEDYPNTBSA-N 343.430 5.028 10 40 EKCB c1ccc2c(NC[C@@H]3CCCN4CCCC[C@@H]34)c3ccccc3nc2c1 17610836 FPAWCCDZRXZGTH-JTSKRJEESA-N 345.490 5.064 10 40 EKCB Cc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1ccccc1 13134313 JYXYPEKKIQWVNK-ODLFYWEKSA-N 348.833 5.240 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 1461966 MIUBSDCCDUMSBA-ZRGWGRIASA-N 339.822 5.173 10 40 EKCB CC(C)CC[C@@H](CCNCc1ccc(N(C)C)cc1)c1ccco1 4000304 XKXQLXGLMXTLEN-IBGZPJMESA-N 328.500 5.045 10 40 EKCB biogenic O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc13)N2 4321266 DXRNIHSFUZJKKE-JLMWRMLUSA-N 342.398 5.575 10 40 EKCB C[C@@H]1N(C)c2ccc(/C=C/c3ccc4ccccc4n3)cc2C1(C)C 6962183 SHGDMJFXWJPMOJ-YHVDPYDOSA-N 328.459 5.521 10 40 EKCB CCc1ccc([C@@H]2Nc3c(ccc(C(=O)OC)c3C)[C@@H]3C=CC[C@H]32)cc1 409175381 RCBPDMMUWLMOCC-KNKQGSTJSA-N 347.458 5.171 10 40 EKCB Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 6962739 GDKBNKSMMDICMP-ARGWCVDVSA-N 344.285 6.437 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc1 17172926 DCLASWZOVIRYAF-RKVPGOIHSA-N 333.328 5.671 10 40 EKCB Cc1[nH]c2ccc(C(=O)Nc3cccc(N4CCCCC4)c3)cc2c1C 65666780 PKOKWJPCVOTTTA-UHFFFAOYSA-N 347.462 5.027 10 40 EKCB C[C@H]1N(C)c2ccc(/C=C/c3nc4ccccc4s3)cc2C1(C)C 5173887 CNQWFRBCZOAYME-IEZBTEQYSA-N 334.488 5.583 10 40 EKCB O=C1OC(c2ccc3ccccc3c2)=C/C1=C/c1cccc(Cl)c1 408723509 VYKJYLPDWAOKAI-ZDLGFXPLSA-N 332.786 5.475 10 40 EKCB CC[n+]1c(-c2ccc(C)cc2)csc1Nc1c(C)cc(C)cc1C 1946688 BFQKIUCPOZHCLR-UHFFFAOYSA-O 337.512 5.700 10 40 EKCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(C2CCCCC2)C1=O 15011461 XKSQHZXDDYGMGP-SWZGKVDCSA-N 343.517 5.167 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 58928936 ITHRBPDEIDRBSG-JTDSTZFVSA-N 338.382 5.177 10 40 EKCB C[N+](C)(C)c1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 96191712 SKELTUYJTNHGMP-VTJHEJDCSA-N 344.442 6.714 10 40 EKCB Cc1ccc(C)c2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21 409152616 KNMFIPDIGZBKAN-MDOVXXIYSA-N 343.392 6.149 10 40 EKCB Clc1ccc(Cl)c(/N=N\c2cc3c4c(c2)CCN4CCC3)c1 17222910 DQOXJUSTQOIDNG-MRCUWXFGSA-N 332.234 5.718 10 40 EKCB Cc1ccc(-n2c(C)ccc2-c2ccccc2)c(Br)c1 8410398 DNNMAQZALXUELK-UHFFFAOYSA-N 326.237 5.524 10 40 EKCB Clc1ccc(Cl)c(/N=N/c2cc3c4c(c2)CCCN4CCC3)c1 17820567 HZLAGPFZLLYVCV-QURGRASLSA-N 346.261 6.108 10 40 EKCB COc1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 6955685 OWNVRYSLEXSWJQ-CKFHNAJUSA-N 345.364 5.541 10 40 EKCB CN(Cc1ccccc1Cl)Cc1cc(Cl)c2ccccc2c1O 13074330 WKGYCCIGLVTRFK-UHFFFAOYSA-N 346.257 5.484 10 40 EKCB N=C(N)c1ccc(/N=N/c2cc(/N=N\c3ccccc3)ccc2O)cc1 104231123 NKLDVTYKPPGNGG-XNMKTSCDSA-N 344.378 5.507 10 40 EKCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 1461957 OXQOEHFBIMXJJM-SXGZJXTBSA-N 325.839 5.565 10 40 EKCB Fc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 4718760 IZSABPHCHBLJMD-IUUKEHGRSA-N 334.221 5.959 10 40 EKCB Cc1ccc(/N=N/C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 102957020 GBVMRMUXLFFIFZ-WCWDXBQESA-N 342.398 5.213 10 40 EKCB CC/C(=C(/CC)c1ccc(O)c(CN(C)C)c1)c1ccc(OC)cc1 1641577 BRCPGBUOFZCYTQ-QZQOTICOSA-N 339.479 5.193 10 40 EKCB c1ccc2c(c1)ccc1nc3c4ccccc4c4ccccc4c3nc12 5372199 MAOGUGQCDLRFTD-UHFFFAOYSA-N 330.390 6.243 10 40 EKCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 6962845 PTPKBGAIRBMCOK-MDZRGWNJSA-N 338.382 5.177 10 40 EKCB CCCCCc1ccc(/N=[N+](\[O-])c2ccc(CCCCC)cc2)cc1 12419875 OTPIZMGFGQDRNH-VHXPQNKSSA-N 338.495 7.078 10 40 EKCB C1=C[C@@H]2c3c(ccc4ccccc34)N[C@H](c3cccc4ccccc34)[C@H]2C1 4321258 KXJJUWSWIKOUNP-RZPFDVGOSA-N 347.461 6.820 10 40 EKCB Fc1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@H]2C=CC[C@@H]21 7097695 UDASVPTYZHGHNG-LJFZDNNRSA-N 341.429 6.319 10 40 EKCB Clc1ccc(Cl)c(/N=N/c2cc3c4c(c2)CCN4CCC3)c1 104180010 DQOXJUSTQOIDNG-QZQOTICOSA-N 332.234 5.718 10 40 EKCB Cc1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 408737100 IRZZZJCTZDECRN-ZUEVXXBESA-N 340.810 5.383 10 40 EKCB Cc1cc(-n2c(C)ccc2-c2ccc(Br)cc2)ccc1F 408965522 IEPPXISLSBELSM-UHFFFAOYSA-N 344.227 5.663 10 40 EKCB O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccsc1 409052495 IAYSIMHCEGHAJV-SFQUDFHCSA-N 346.407 5.522 10 40 EKCB COc1ccc(Cl)c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 8115950 OCVGPVLFGQBNSX-IUUKEHGRSA-N 346.257 5.829 10 40 EKCB Cc1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 409166733 FMOSKNHXZVNOLL-OHNRDTAOSA-N 340.264 5.584 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)cc1 6324139 IWNUEZBTQIZNSA-ZWOKBUDYSA-N 339.429 6.089 10 40 EKCB Fc1cccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)c1 6970107 IWBGPKNYDIIHGU-DAYGRLMNSA-N 333.328 5.671 10 40 EKCB c1ccc(/N=N/c2c(OCC3CCNCC3)ccc3ccccc23)cc1 100058848 OZQZLTMCDHGVSH-OCOZRVBESA-N 345.446 5.634 10 40 EKCB Cc1ccc(/N=N\c2sc(=N)[nH]c2-c2ccc(Cl)cc2)cc1 104133964 XRHHYXLUFCGQKZ-MRCUWXFGSA-N 328.828 5.600 10 40 EKCB CN(C)CC/C=C1\c2ccccc2C(C)(C)c2ccc(Cl)cc21 31938229 XOEORRKMZPENHA-CXUHLZMHSA-N 325.883 5.363 10 40 EKCB O=[N+]([O-])c1cc(Cl)ccc1/N=N/c1c(O)ccc2ccccc12 5935156 FHEFMHNVEBIQDW-VHEBQXMUSA-N 327.727 5.522 10 40 EKCB CC[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1O 72281436 ZRWXKKGGPIDOCM-LBPRGKRZSA-N 330.737 5.023 10 40 EKCB Cc1ccc(C)c([C@@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c1 105418787 AIEGIZOIFBITOZ-OAQYLSRUSA-N 340.422 5.131 10 40 EKCB CC(C)c1ccc(Nc2c(-c3ccccn3)nc3ccccn23)cc1 201184 IORGVLFNNYMMSI-UHFFFAOYSA-N 328.419 5.263 10 40 EKCB CSc1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 4517665 ORMOBPFSEMJMQF-GHVJWSGMSA-N 347.443 6.076 10 40 EKCB O=C(CSc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 4496669 ADDNIBSZUCMCCE-GHVJWSGMSA-N 347.443 5.833 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@H]21 409156863 UVIJTESVECERER-SNUQEOBHSA-N 345.364 5.541 10 40 EKCB CN(C)c1ccc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)cc1 3894790 ALCNXDQXMKTCAR-XNTDXEJSSA-N 340.426 5.731 10 40 EKCB Cc1c(C(=O)O)ccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 4561454 ZQUSXLXQKOEONP-BIENJYKASA-N 339.822 5.173 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 409172575 DADDUHAYNSSTBF-QEEYODRMSA-N 344.285 6.382 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 5740760 QOIJPAQWTJOHSL-KEYYUXOJSA-N 326.783 5.075 10 40 EKCB Cc1ccn2c(Nc3cccc(Cl)c3)c(-c3ccc(C)o3)nc2c1 35616218 DYIDGCYYJKPCMS-UHFFFAOYSA-N 337.810 5.608 10 40 EKCB Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 20712204 XHXRXCFZSQMDRF-AVYPCKFXSA-N 344.285 6.437 10 40 EKCB CCc1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3C=CC[C@H]32)cc1 409156712 GUWAUZSWBMUJSI-CLCXKQKWSA-N 344.285 6.382 10 40 EKCB FC(F)(F)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 409160969 RUYVZZCYGDKTSJ-CKEIUWERSA-N 349.783 6.185 10 40 EKCB C[C@@]12C(=O)c3ccccc3C(=O)[C@H]1[C@H]1CCCCC1=C1CCCC[C@H]12 5181347 IKKHLNNPRCUHEM-RLBWGYBJSA-N 334.459 5.379 10 40 EKCB Cc1ccccc1NC1=NC(=O)/C(=C/c2cccc3ccccc23)S1 5590000 QGYRZNHGFXZYLI-UYRXBGFRSA-N 344.439 5.231 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 20699402 KSMYSCWVYCPUTL-JTDSTZFVSA-N 340.810 5.383 10 40 EKCB Cc1c(Cl)ccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 226691506 IIZDTBJJAVTGMF-SPYBWZPUSA-N 340.810 5.383 10 40 EKCB CC(C)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1 408940759 CYBKTKKXKCXWEV-UHFFFAOYSA-N 333.431 5.285 10 40 EKCB Cc1cc2c(cc1/N=N\c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2 4774680 ISOLDHAMKHKUIN-KBTGROTASA-N 338.411 6.016 10 40 EKCB COc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1 70453934 BTGDYXFQQFVSCI-UHFFFAOYSA-N 326.399 5.538 10 40 EKCB Fc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 4786047 MOIQCAGJSBVZGP-OCEACIFDSA-N 342.377 6.298 10 40 EKCB CCc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)cc1 409166365 DAAWXZHTYYZPFN-MDZRGWNJSA-N 343.392 6.094 10 40 EKCB CCOc1ccc2c(c1)-c1c(s[s+]c1SC)C(C)(C)N2C 59500867 POQJLWGZHHULIC-UHFFFAOYSA-N 338.543 5.563 10 40 EKCB CC[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1ccccc1O 72281437 ZRWXKKGGPIDOCM-GFCCVEGCSA-N 330.737 5.023 10 40 EKCB COc1ccc(C)c2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 409170977 XQMNOMGPDUMSIW-GPMSIDNRSA-N 325.839 5.484 10 40 EKCB CC(=C\c1ccccc1)/C=C1/SC(Nc2cccc(C)c2)=NC1=O 16666185 KIBXIHOXVUEGOI-YAIVMUPMSA-N 334.444 5.024 10 40 EKCB CCN(CC)c1ccc(/C=C/c2cc(C)c3cc(C)ccc3n2)cc1 16968465 GLWRYJUYFWCCNB-DHZHZOJOSA-N 330.475 5.868 10 40 EKCB Cc1ccc(-c2ccc(C(F)F)cc2)n1-c1ccc(N(C)C)cc1 390823160 UWANGMXCGUUFHY-UHFFFAOYSA-N 326.390 5.456 10 40 EKCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 409158435 XKIKCQSQCLZTBD-JKIFEVAISA-N 344.773 5.214 10 40 EKCB Brc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H]([C@H]1CC=CCC1)N2 4321303 SIBQPRMYIDHIQZ-AZAGILFBSA-N 330.269 5.259 10 40 EKCB COc1ccc2nc3cc(Cl)ccc3c(Nc3cccnc3)c2c1 4366490 LUUDYHCKONVRQY-UHFFFAOYSA-N 335.794 5.189 10 40 EKCB in-vivo Cc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 4614306 VGCWBMRRUTXLKS-BOPFTXTBSA-N 339.485 5.018 10 40 EKCB Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc13)N2 409151204 ANLCUVJSQBNHLY-HGHGUNKESA-N 333.381 5.945 10 40 EKCB Cc1cc([N+](=O)[O-])ccc1N/N=N/c1c(Cl)cccc1Cl 5002683 FRSXLCZYHLTGCY-UHFFFAOYSA-N 325.155 5.321 10 40 EKCB Cc1ccc(Nc2c3ccccc3nc3ccccc23)c([N+](=O)[O-])c1 3893993 YSEMAEAEINQNIP-UHFFFAOYSA-N 329.359 5.348 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21 5918960 BTMMLBOIHZUZIS-FHSNZYRGSA-N 346.257 5.829 10 40 EKCB CCN(CC)CCOc1ccccc1-n1c(C)ccc1-c1ccccc1 1603 DQIUUHJEYNMMLD-UHFFFAOYSA-N 348.490 5.173 10 40 EKCB in-man Cc1cc(C=O)c(C)n1-c1c(Cl)cc(C(F)(F)F)cc1Cl 165602 IZOYFORQOPLAFD-UHFFFAOYSA-N 336.140 5.232 10 40 EKCB O=[N+]([O-])c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 14460306 QOIJPAQWTJOHSL-ZQIUZPCESA-N 326.783 5.075 10 40 EKCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 20700221 DQIGGDHUJDKSCI-TYILLQQXSA-N 340.810 5.383 10 40 EKCB Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 5337709 CDXYLJKHFQKHMA-QHRIQVFBSA-N 330.258 6.128 10 40 EKCB CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 409172576 DADDUHAYNSSTBF-STXHMFSFSA-N 344.285 6.382 10 40 EKCB Cc1cc(C)c2c(c1)N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 970501 JKDMOWOSUDQFLW-MDOVXXIYSA-N 344.285 6.437 10 40 EKCB Cc1ccc(C2=C/C(=C/c3c(Cl)cccc3Cl)C(=O)O2)cc1 2070948 AOIXNWBKVVDOLV-LCYFTJDESA-N 331.198 5.283 10 40 EKCB Fc1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21 2481384 ADLLQAZLWSMOCI-FHSNZYRGSA-N 344.227 5.415 10 40 EKCB Fc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 197894 IFPNQZNVTLNVKT-VBQJREDUSA-N 334.221 5.959 10 40 EKCB O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 4007988 YWKBTFYWHHQQLN-JCGVRSQUSA-N 326.783 5.075 10 40 EKCB COC(=O)c1ccc([C@@H]2Nc3c(C(C)C)cccc3[C@@H]3C=CC[C@@H]32)cc1 252253003 LUZDOJREFRXSBV-DYXWJJEUSA-N 347.458 5.423 10 40 EKCB Cc1c(Cl)cccc1-n1c(CCC(=O)O)ccc1-c1ccccc1 359446 GYHVNZCLHGEFIF-UHFFFAOYSA-N 339.822 5.123 10 40 EKCB Cc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)c1 226863492 NZSWRHYAWPEYMT-GLJUWKHASA-N 330.258 6.128 10 40 EKCB CCc1ccc(C2=C/C(=C/c3ccc(N(CC)CC)cc3)C(=O)O2)cc1 408976841 SNOZSMAQEHCIQH-HKWRFOASSA-N 347.458 5.077 10 40 EKCB Fc1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1 7097221 ITZUDXBPACTJRD-IMSXRSKXSA-N 341.429 6.319 10 40 EKCB CCOC(=O)c1ccc(/N=N/c2c(C)nn(-c3ccccc3)c2C)cc1 4538486 QKRJJSCLTQXKTR-QURGRASLSA-N 348.406 5.081 10 40 EKCB Cc1cccc(-n2c(-c3ccccc3)cc3c2CC(C)(C)CC3=O)c1 39283357 BQTUKEIEPPBTCH-UHFFFAOYSA-N 329.443 5.608 10 40 EKCB COc1cccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)c1 409165565 ZOLHHARSBGUCGN-RKVPGOIHSA-N 345.364 5.541 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)c1 409162563 FYAHHTVADVIBRK-KEYYUXOJSA-N 344.227 5.415 10 40 EKCB CCCCCc1nnc(/N=N/c2nnc(CCCCC)s2)s1 5465300 XRGRRKQJIPJGME-FMQUCBEESA-N 338.506 5.270 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2 409157934 WFPGZINONMCWQD-CZIZLABSSA-N 344.773 5.214 10 40 EKCB Cc1cc(C)c2c(c1)N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 6962662 CVHGTFHKJMDSPF-MNVSYLFESA-N 344.285 6.437 10 40 EKCB CC[n+]1c(-c2ccccc2)csc1Nc1cccc(C(F)(F)F)c1 35023367 KKMPTKBRFHRZRR-UHFFFAOYSA-O 349.401 5.485 10 40 EKCB S=C(Nc1ccccc1)Nc1c2ccccc2nc2ccccc12 4830954 METGQTUDSLXHDD-UHFFFAOYSA-N 329.428 5.197 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21 8336069 SZBBPTVFVLCXGA-GREBRCKQSA-N 345.873 6.628 10 40 EKCB Fc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 226892835 YDGZALBXLXGXFA-KEYYUXOJSA-N 344.227 5.415 10 40 EKCB CN(C)c1ccc(/C=C/c2nc3ccc4ccccc4c3s2)cc1 5173976 UZNVWZFCMMFXPF-NTEUORMPSA-N 330.456 5.686 10 40 EKCB Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 222367235 BVWHDELMXLOWLL-FMTVUPSXSA-N 331.246 5.402 10 40 EKCB Fc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@H]32)c1 409159368 TWAUNHZYGPIFAB-CPUCHLNUSA-N 334.221 5.959 10 40 EKCB Cc1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc1 6966455 BACGYYGUFCUIRE-FCEWJHQRSA-N 329.365 5.840 10 40 EKCB FC(F)(F)c1cccc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 6970014 RUYVZZCYGDKTSJ-JJRVBVJISA-N 349.783 6.185 10 40 EKCB Cc1nn(-c2ccccc2)c(Cl)c1/N=N\c1ccc([N+](=O)[O-])cc1 4725689 YHARUXRLOKZVTC-HNENSFHCSA-N 341.758 5.158 10 40 EKCB COc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21 8169416 WTFHVSQCLCMTMD-OAVHHTNSSA-N 346.257 5.829 10 40 EKCB COc1cccc(-n2c(C)ccc2-c2ccc(C(F)(F)F)cc2)c1 199732896 RSXMXUJTRRJHAF-UHFFFAOYSA-N 331.337 5.480 10 40 EKCB Cc1cccc2c1N[C@@H](c1ccc3c4c(cccc14)CC3)[C@H]1CC=C[C@@H]21 408737670 UIKAEQJIJVIISD-CTIGNXTNSA-N 337.466 6.073 10 40 EKCB Fc1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3C=CC[C@@H]32)cc1 6971328 YDGZALBXLXGXFA-ZQIUZPCESA-N 344.227 5.415 10 40 EKCB COc1ccc(Cl)c2c1N[C@H](c1ccccc1F)[C@@H]1CC=C[C@@H]21 12469486 SELXXTASQCWDBB-FMTVUPSXSA-N 329.802 5.314 10 40 EKCB CC(C)(C)c1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 409151696 BXEMYFIDOUOVGK-LQWHRVPQSA-N 347.458 5.509 10 40 EKCB CCc1cccc(CC)c1NC(=O)c1ccccc1-n1c(C)ccc1C 7468154 UUSSJAULXWWLHA-UHFFFAOYSA-N 346.474 5.471 10 40 EKCB Cc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 35038743 CMQKBFHXJIZRBL-GZTJUZNOSA-N 339.485 5.018 10 40 EKCB Cc1ccc(-c2csc(Nc3ccccc3)[n+]2-c2ccccc2)cc1 2243779 JAOOPBPXVXTCKA-UHFFFAOYSA-O 343.475 5.744 10 40 EKCB Cc1cc(Cl)cc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21 8336099 SZBBPTVFVLCXGA-JXHRLWIKSA-N 345.873 6.628 10 40 EKCB Cc1nc(/C=C/C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cs1 11328325 WJFSYZMJESUQLS-XOXGPBAVSA-N 348.431 5.519 10 40 EKCB O=C(O)c1ccc(Cl)c(Nc2c3ccccc3nc3ccccc23)c1 20059090 QVPCKCSCWQGJMH-UHFFFAOYSA-N 348.789 5.483 10 40 EKCB Cc1ccc(C)c([C@H](c2ccccc2)C2C(=O)c3ccccc3C2=O)c1 105418791 AIEGIZOIFBITOZ-NRFANRHFSA-N 340.422 5.131 10 40 EKCB Cc1ccc(C(=O)O)c2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@@H]21 409166746 FSVGOGXKWGBDON-KGVIQGDOSA-N 347.458 5.643 10 40 EKCB COc1ccc(C)c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 409152891 LMZSJDHKDQWGEO-KSMMKXTCSA-N 325.839 5.484 10 40 EKCB Oc1ccc(-c2ccccc2)cc1/N=N/c1ccc(Cl)c(Cl)c1 4698820 CILYUTMCALPFNN-QURGRASLSA-N 343.213 6.781 10 40 EKCB O=[N+]([O-])c1ccc(Cl)c([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)c1 4975238 VBHKJPDDOFQAHX-JKDFXYPNSA-N 344.773 5.214 10 40 EKCB Cc1ccc(-c2nc([C@H]3CC=CCC3)[nH]c2-c2ccccc2)cc1C 8739056 RPSRISMVDVEWPQ-IBGZPJMESA-N 328.459 6.184 10 40 EKCB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(C)ccc1C)N2 36081387 XBSMZMISDOVFFK-KGVIQGDOSA-N 347.458 5.307 10 40 EKCB O=C(O)c1ccccc1[C@@H]1Nc2c(ccc3ccccc23)[C@@H]2C=CC[C@H]21 409163760 XLGZLWYORQKFQM-DRSNIGMVSA-N 341.410 5.365 10 40 EKCB Cc1ccc(/C=C2\C=C(c3ccc(C(C)C)cc3)OC2=O)cc1[N+](=O)[O-] 320082 JUYGAABYEHJHAR-VCHYOVAHSA-N 349.386 5.008 10 40 EKCB COc1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@H]21 6954825 AAIIZNBFPYTRHH-ZJNRKIDTSA-N 346.257 5.829 10 40 EKCB CN(C)c1ccc(/C=C/c2cc(C(C)(C)C)nc(C(C)(C)C)c2)cc1 7141153 PHPCUYRVKZHKFE-MDZDMXLPSA-N 336.523 5.913 10 40 EKCB CC(C)c1ccc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc1 17299181 NTKKXMINIPBLPE-XKZIYDEJSA-N 340.422 5.945 10 40 EKCB in-vitro COc1ccc(C(=O)CNc2ccc(/N=N/c3ccccc3)cc2)cc1 5560576 OSCZKEQONXXSIE-WCWDXBQESA-N 345.402 5.405 10 40 EKCB Cc1nn(-c2ccccc2)c(O)c1/N=N/c1ccc(Cl)c(Cl)c1 13465919 SMOYLVHTNURGKS-FMQUCBEESA-N 347.205 5.609 10 40 EKCB Cc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 226668714 UNLFBUBYRWEDKD-VKJFTORMSA-N 330.258 6.128 10 40 EKCB CCN1/C(=C/c2cc[n+](CC)c3ccccc23)Sc2ccccc21 2570005 SFTZBFQWPQDHFP-UHFFFAOYSA-N 333.480 5.078 10 40 EKCB Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 4348237 BVWHDELMXLOWLL-PZROIBLQSA-N 331.246 5.402 10 40 EKCB CCOc1ccc(-n2c(C)cc(CNCc3ccc(C)cc3)c2C)cc1 6784979 TZICJWZVRZLCQV-UHFFFAOYSA-N 348.490 5.091 10 40 EKCB c1ccc(/N=N/c2c(OC[C@@H]3CCCNC3)ccc3ccccc23)cc1 100058837 ZQHRCSGRGBEING-OIUDPUMTSA-N 345.446 5.634 10 40 EKCB CCc1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 409152545 BKUKMNFOAQWQKU-UVFQYZLESA-N 343.392 6.094 10 40 EKCB Fc1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@H]32)cc1 409163394 QXJRKJHNTLAZRD-CPUCHLNUSA-N 333.328 5.671 10 40 EKCB CC(=C\c1ccccc1)/C=C1/SC(Nc2ccc(C)cc2C)=NC1=O 16661551 PDFYMQPBFCWICH-CAOIWOLBSA-N 348.471 5.332 10 40 EKCB