smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S1(=O)C[C@H](Cl)[C@H](S[C@H]2CCS(=O)(=O)[C@H]2Cl)C1 5003848 CSDZSCBNXGPRFN-RULNZFCNSA-N 339.287 0.876 50 40 ECGB COc1cc(/C=N/NC(=O)Cn2nnnc2N)ccc1OC(C)C 547699 DWSKIIMOFGLMJD-FRKPEAEDSA-N 333.352 0.201 50 40 ECGB COc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1 409079449 FZJRJWJGLFCBPK-GFCCVEGCSA-N 339.355 0.344 50 40 ECGB CCOC(=O)/C(C#N)=C(/c1ccc(OC)cc1)N(CCO)CCO 1604137 ZRZOKWRRJSXEOP-NXVVXOECSA-N 334.372 0.780 50 40 ECGB COCc1n[nH]c2c1[C@@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 4102887 VHHLXVVCDJNDLE-KRWDZBQOSA-N 337.339 0.905 50 40 ECGB Cc1ncc(COP(=O)(O)O)c(/C=N/NC(=O)CCl)c1O 2270697 OAGSCQLAUXQUPN-YIXHJXPBSA-N 337.656 0.394 50 40 ECGB COC(=O)CC1=C(C(=O)OC)[C@H](c2cccnc2)C(C#N)=C(N)O1 499901 MGIRWPNGTMCCHK-CYBMUJFWSA-N 329.312 0.879 50 40 ECGB C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)C(=O)N1CCOCC1 5363158 KITWUZWVAWSMJK-CPNJWEJPSA-N 346.387 0.675 50 40 ECGB O=C(NC[C@H]1COCCO1)NNC(=O)C12CC3CC(CC(C3)C1)C2 57082746 OSTLZYUXDQCCQF-ZZTKBFGJSA-N 337.420 0.949 50 40 ECGB CC(=O)Nc1cccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1 25056310 QJPFKHMWXOBTJC-CQSZACIVSA-N 339.417 0.751 50 40 ECGB O=C(O)c1ccc(C(=O)NNC(=O)c2ccncc2)c(C(=O)O)c1 4537133 NIHKGNYQLVEYAA-UHFFFAOYSA-N 329.268 0.553 50 40 ECGB CC(C)CC(=O)NNC(=O)C[C@@](O)(c1nccn1C)C(F)(F)F 12548273 DBYFPDRQOXWBIT-GFCCVEGCSA-N 336.314 0.754 50 40 ECGB CCOC(=O)[C@H]1[C@@H](C(=O)NN)[C@H]1C(=O)Nc1ccc(Cl)cc1 5473364 SUGJHUKBAKPJNA-OUAUKWLOSA-N 325.752 0.694 50 40 ECGB NNC(=O)CCC(=O)N/N=C1\C(=O)Nc2c(Cl)cc(Cl)cc21 27986357 DQOFUSFHWSNBNC-UHFFFAOYSA-N 344.158 0.536 50 40 ECGB Cc1n[nH]c2c1[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9244021 AEGYIFWXMFXGER-OAHLLOKOSA-N 338.283 0.951 50 40 ECGB COCC(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1 5692452 JYSMKIZXFYXAFZ-UHFFFAOYSA-N 330.724 0.056 50 40 ECGB COCCn1c(SCC(=O)NNC(C)=O)nnc1-c1ccco1 4861193 BIJLPURFMACNJH-UHFFFAOYSA-N 339.377 0.444 50 40 ECGB COc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 106489500 LVDDSOZOQHJOSM-IPJQOSJUSA-N 346.339 0.501 50 40 ECGB O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc2c(c1)CCC2 7818933 LSKCEWVFWKAVJY-LLVKDONJSA-N 336.413 0.761 50 40 ECGB Cc1cc(C)n2nc(CC(=O)NNC(=O)c3cccnc3)nc2n1 5451139 ZCYFELSTOQFVSZ-UHFFFAOYSA-N 325.332 0.140 50 40 ECGB COC(=O)c1c(NC(=O)C(=O)NN)sc2c1CC(C)(C)OC2 6759270 QOOUWBXTZRMVKI-UHFFFAOYSA-N 327.362 0.314 50 40 ECGB N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(N)=O 409161236 ZQEXPBMQWGFOCT-UKTHLTGXSA-N 338.367 0.892 50 40 ECGB CC(C)c1c(C(=O)N/N=C/c2cccnc2)nnn1-c1nonc1N 531849 ABELDXCSDYANNR-REZTVBANSA-N 341.335 0.515 50 40 ECGB CC(C)OCCC(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1 44918953 RUNVNKIZTPIKQJ-UHFFFAOYSA-N 328.390 0.666 50 40 ECGB COc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409386490 LVDDSOZOQHJOSM-ZOPJHEKZSA-N 346.339 0.501 50 40 ECGB CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2ccccc2)c1 31548936 VDCXGFNVGWXYND-UHFFFAOYSA-N 336.373 0.340 50 40 ECGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 29558231 GWDKOPHTJIHNCE-WDEREUQCSA-N 349.362 0.751 50 40 ECGB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 9305244 HEZKANAEKSLIES-DJLDLDEBSA-N 340.829 0.420 50 40 ECGB CCOC(=O)c1c[nH]n(CC(=O)NNC(=O)c2cc(C)oc2C)c1=N 100994318 PDVQUJHTPAWJNV-UHFFFAOYSA-N 349.347 0.143 50 40 ECGB O=C(NNC(=S)NC[C@@H]1CCCO1)[C@H]1COc2ccccc2O1 7989691 ADDLSAWLVPECCS-GXFFZTMASA-N 337.401 0.501 50 40 ECGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 4798193 DEHDZAJXXYPJQK-VCHYOVAHSA-N 327.300 0.756 50 40 ECGB Cc1ccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)o1 14181324 UBJRHBMBDZFDSL-UHFFFAOYSA-N 326.312 0.910 50 40 ECGB CC(=O)Nc1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)cc1 2250521 UTZOJCKCLMBOAL-UHFFFAOYSA-N 341.327 0.440 50 40 ECGB O=C(/C=C/c1ccc(F)cc1)NC(=S)NNC(=O)c1cnccn1 2389563 JBZJSTRRKVRICQ-ZZXKWVIFSA-N 345.359 0.965 50 40 ECGB CC1(CC(=O)N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)OCCO1 19943353 LYHSTEAWGQQMAT-VGOFMYFVSA-N 325.277 0.609 50 40 ECGB COc1cccc(N2C(=O)C[C@H](NNC(=O)c3ccncc3)C2=O)c1 95532011 RIOAGFARGBRCTH-AWEZNQCLSA-N 340.339 0.657 50 40 ECGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1 6544725 BJKQZWADTVCTHE-KEBDBYFISA-N 340.339 0.635 50 40 ECGB O=C(CCC(=O)NNC(=O)c1cccc(F)c1)NC[C@@H]1CCCO1 4700492 IXDLKIPZUDWVKI-ZDUSSCGKSA-N 337.351 0.662 50 40 ECGB CC(C)O[C@]1(CS(=O)(=O)NNC(=O)CC(C)(C)C)CCOC1 585119327 CDJOOASSKKVHPS-CQSZACIVSA-N 336.454 0.957 50 40 ECGB CCNC(=S)NNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 20416454 DYHVLQPVPIIAHA-UHFFFAOYSA-N 344.462 0.276 50 40 ECGB O=C(NC(=S)NNC(=O)c1cnccn1)c1ccc2c(c1)OCO2 2249920 YMGQPBSGWVMEQI-UHFFFAOYSA-N 345.340 0.155 50 40 ECGB O=C(NCCCN1CCc2ccccc2C1)c1ccc(B(O)O)cc1 584931137 JBGXRXTVYUSWLU-UHFFFAOYSA-N 338.216 0.545 50 40 ECGB C[C@@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)NC(N)=O 7983415 CWCJQNXVFXVPNZ-ZDIKFAODSA-N 330.344 0.786 50 40 ECGB O=C(O)CN1C(=O)/C(=N/NC(=O)c2ccccc2O)c2ccccc21 19830994 KROXDFPTMHSGNJ-OBGWFSINSA-N 339.307 0.958 50 40 ECGB O=C(CS(=O)(=O)C1CCCC1)NNC(=O)c1ccc(F)cc1 44966042 FXMZZOLYXYASMH-UHFFFAOYSA-N 328.365 0.944 50 40 ECGB CN(c1ccsc1C(=O)NN)S(=O)(=O)c1ccc(NN)cc1 67172507 OLGRPDMUNIYGSV-UHFFFAOYSA-N 341.418 0.462 50 40 ECGB CCCCCCCn1c(NNC(C)=O)nc2c1c(=O)[nH]c(=O)n2C 100562774 JOHLKNACXOCOPJ-UHFFFAOYSA-N 336.396 0.857 50 40 ECGB O=C1O[C@H]2[C@@H](Br)[C@H]3C[C@H]2[C@@H]1[C@@H]3C(=O)N1CCOCC1 102601106 ZWWUOBHNIOLLFF-JYRVZRIJSA-N 330.178 0.416 50 40 ECGB Cc1c(C(=O)N/N=C/c2ccccc2F)nnn1-c1nonc1N 63110 WRDVTOLFFCPNNH-OMCISZLKSA-N 330.283 0.444 50 40 ECGB O=C(CCN1C(=O)COc2ccccc21)NNC(=O)c1ccncc1 12986578 DIHPHPVKMGLHMV-UHFFFAOYSA-N 340.339 0.658 50 40 ECGB O=C(COc1ccccc1)NCC(=O)NNC(=O)Cc1ccccc1 9885439 RMXHPNYKCQEJKV-UHFFFAOYSA-N 341.367 0.572 50 40 ECGB Cc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1 59483806 YNQATXKKDLCQAD-CPNJWEJPSA-N 332.404 0.284 50 40 ECGB CC(C)(C)[Si](C)(C)OCCn1c(=O)c(C#N)cn(CCO)c1=O 585133063 QGLQVZPAJHIUNR-UHFFFAOYSA-N 339.468 0.896 50 40 ECGB CCOc1ccccc1-n1nnnc1SCC(=O)NNC(C)=O 1357512 BMICNEDTYWUJIY-UHFFFAOYSA-N 336.377 0.320 50 40 ECGB CN(C)N(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 12818784 CRFXSVUFMKLTSD-SNVBAGLBSA-N 327.362 0.701 50 40 ECGB CC(C)NC(=S)NNC(=O)CCNC(=O)NC1CCCCC1 32907859 UXEISFACZPOKEJ-UHFFFAOYSA-N 329.470 0.912 50 40 ECGB CC[C@@H](Br)C(=O)NNC1=NS(=O)(=O)c2ccccc21 4524158 MMUTXCVREKIMHY-MRVPVSSYSA-N 346.206 0.930 50 40 ECGB CO[C@H](CS(=O)(=O)NNC(=O)CC(C)(C)C)C1CCOCC1 585089170 YARDZMZRIXYTGO-GFCCVEGCSA-N 336.454 0.815 50 40 ECGB O=C(CBr)NCCCCCC(=O)ON1C(=O)CCC1=O 100266201 OOBXEDBTFDLRPM-UHFFFAOYSA-N 349.181 0.665 50 40 ECGB Cc1nn(C)c(C)c1[C@@H]1C(C#N)=C(N)Oc2c1oc(CO)cc2=O 13629980 UBWLZTWLBXSEDA-ZDUSSCGKSA-N 328.328 0.701 50 40 ECGB CCOC(=O)CNC(=O)NNC(=O)c1ccc2c(c1)nc(C)n2CC 6550045 LBKNIVVQGZZANX-UHFFFAOYSA-N 347.375 0.872 50 40 ECGB O=C(NNC(=O)c1csc(-c2ccccc2)n1)C(=O)NC1CC1 9724458 FYTWQMJMMDSEMF-UHFFFAOYSA-N 330.369 0.850 50 40 ECGB COc1ccc(C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 4392937 IXGHNZRLACANLI-SNVBAGLBSA-N 326.374 0.281 50 40 ECGB O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccccn1 8733955 BZTHGMUFYYFEIA-UHFFFAOYSA-N 333.373 0.450 50 40 ECGB C[C@@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)NC(N)=O 96504755 CWCJQNXVFXVPNZ-BKLZJWBFSA-N 330.344 0.786 50 40 ECGB COCCO[C@H](C)C(=O)NNC(=O)Nc1cnc(C(C)(C)C)nc1 95467079 HVKZLGMTNBJODD-SNVBAGLBSA-N 339.396 0.978 50 40 ECGB CNS(=O)(=O)c1ccc(C(=O)N(C)CC(Cl)Cl)cn1 585088009 HARXXISGWKKFQU-UHFFFAOYSA-N 326.205 0.865 50 40 ECGB CC(C)[Si](OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O)(C(C)C)C(C)C 263590039 WGOJFTWEYSVPCB-YJNKXOJESA-N 336.501 0.821 50 40 ECGB COc1cc(OC)cc(C(=O)N/N=C(\C)Cn2nnc([N+](=O)[O-])n2)c1 25580864 GEWZHOYTHAVNOQ-RIYZIHGNSA-N 349.307 0.404 50 40 ECGB C=CCN1C(=O)NC(=O)/C(=C(/CC)NNC(=O)c2ccncc2)C1=O 9356561 KQTNIXBWAMSSRL-VAWYXSNFSA-N 343.343 0.245 50 40 ECGB COCC(=O)N/N=C1\C(=O)N(C2CSC2)c2c(F)cc(F)cc21 223750068 IXWIRAUNDZZIGH-PDGQHHTCSA-N 341.339 0.894 50 40 ECGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCO2)ccc1OCC(N)=O 6181189 BPXVABSVFZKNRK-NYUWMOHMSA-N 345.355 0.719 50 40 ECGB CN(C)c1nc(N(C)C)nc(N2CC(=O)N(CCCl)C2=O)n1 200250 STFFOOCTTFVKRP-UHFFFAOYSA-N 327.776 0.011 50 40 ECGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1ccccc1 20207297 RQJIWQNOWYHSLJ-GZTJUZNOSA-N 332.385 0.998 50 40 ECGB CN(C)N(C(=O)c1cnc2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 12778853 DJFLBGNSVAIEDC-LLVKDONJSA-N 334.401 0.736 50 40 ECGB CC(C)CC(=O)NNC(=O)[C@H](C)N1CCCC[C@@H]1C1OCCO1 69739425 FQWBCZIZHIABKA-QWHCGFSZSA-N 327.425 0.796 50 40 ECGB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccccc1F 97574869 DFSGSONFKLZHQQ-PHIMTYICSA-N 345.330 0.538 50 40 ECGB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(SC#N)c1O 409048916 VAPNBMWQLLASBO-UHFFFAOYSA-N 335.366 0.888 50 40 ECGB COCCNC(=O)/C(C#N)=C/c1cn(CC(N)=O)c2ccccc12 5007791 XAMJFSSNJNRFQG-XYOKQWHBSA-N 326.356 0.796 50 40 ECGB CSc1ncccc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C 24969265 VHTCXCINXBGCHB-JTQLQIEISA-N 329.447 0.909 50 40 ECGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2cccnc2)c1 35686133 SFWWIAJKVWVOHV-UHFFFAOYSA-N 337.357 0.722 50 40 ECGB Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c1 7955587 XATJCRDHLAARTP-GFCCVEGCSA-N 340.401 0.264 50 40 ECGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2cccnc2)C(C#N)=C(N)O1 499900 MGIRWPNGTMCCHK-ZDUSSCGKSA-N 329.312 0.879 50 40 ECGB COc1ccccc1C(=O)NCC(=O)OCC(=O)/C(C#N)=C(/C)N 104830173 QBNFFQQANVOBRB-BENRWUELSA-N 331.328 0.294 50 40 ECGB C/C=C/Cn1c(SC[C@@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 13633402 IJHFZNPXBKXENX-RTMURIBGSA-N 344.824 0.691 50 40 ECGB O=C(CCBr)NCCNC(=O)CCBr 1681331 BCDAVFWCNYQBBF-UHFFFAOYSA-N 330.020 0.789 50 40 ECGB C=CCOc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 59515810 FXYAKTNUIYPSDN-BKQORJHRSA-N 331.372 0.997 50 40 ECGB O=C(C[C@@H]1NCCNC1=O)N/N=C/c1c(O)ccc2ccccc12 55116669 COOHWUROUZLTER-ANKPHQHTSA-N 326.356 0.474 50 40 ECGB CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccccn2)c1 12763776 VDLPGVJVFDPDKT-UHFFFAOYSA-N 348.384 0.918 50 40 ECGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1cccnc1O 17196104 QZCYFLZZPIQVKH-UHFFFAOYSA-N 325.284 0.099 50 40 ECGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1OC 59433905 ZPMRZAUQUSNFNN-RGVLZGJSSA-N 342.355 0.865 50 40 ECGB O=S1(=O)C[C@H](NC(=S)Nc2ncnc3[nH]cnc23)[C@@H](Cl)C1 575421670 KUPZXWXAYKFZGS-WDSKDSINSA-N 346.825 0.044 50 40 ECGB CCCc1nnc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575420998 GDUOTNPBKAVCMA-BQBZGAKWSA-N 338.842 1.017 50 40 ECGB Cc1nn(C)c(C)c1CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 22963149 NPNFVYDQYXWYRP-OAHLLOKOSA-N 344.371 0.567 50 40 ECGB NNC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl 408527649 FDLVJEQRPSVLRR-UHFFFAOYSA-N 347.824 0.883 50 40 ECGB COc1ccc(C2=NO[C@H]3[C@H]2/C(=N/NC(N)=O)[C@@H]2OC[C@H]3O2)cc1 12420498 HAVOHKDFGJTVTH-RAEAKCCXSA-N 332.316 0.194 50 40 ECGB O=C(COc1nsnc1N1CCOCC1)N/N=C/c1ccccc1 5946289 VVAOZYFPLGEYHA-MHWRWJLKSA-N 347.400 0.904 50 40 ECGB O=C(CCCO)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 4182006 TYWYQBDMSQEHON-LFIBNONCSA-N 336.348 0.654 50 40 ECGB COc1cc(C(=O)NNC(=O)c2ccccn2)cc2c1OCCO2 7909766 VKFMJVPRIWXNLU-UHFFFAOYSA-N 329.312 0.936 50 40 ECGB C=CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1O 5377278 SXVKBZSEVQLLHR-VIZOYTHASA-N 326.150 0.907 50 40 ECGB COC(=O)c1ccc(CN2C(=O)/C(=N\NC(N)=O)c3ccccc32)o1 5910245 KBCAOLPUNDODRA-AQTBWJFISA-N 342.311 0.985 50 40 ECGB O=C(NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12)c1ccccc1[N+](=O)[O-] 100396657 YOKFNVPVBWUVNZ-OVZMXSCWSA-N 344.279 0.348 50 40 ECGB O=C(NNS(=O)(=O)c1ccccc1)[C@@H]1COc2ccccc2O1 309096 MXGCNVWHRPLMJB-AWEZNQCLSA-N 334.353 0.836 50 40 ECGB CC(=O)O[C@@H]1CO[C@@H](Br)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5018927 AVNRQUICFRHQDY-GWOFURMSSA-N 339.138 0.533 50 40 ECGB NNC(=O)/C(NC(=O)c1ccccc1)=C(\N)c1cccc([N+](=O)[O-])c1 1622784 DMAKTCPTTKQRGI-BUHFOSPRSA-N 341.327 0.642 50 40 ECGB Cn1c(=O)c2nc(/N=N\N(CCCl)CCCl)[nH]c2n(C)c1=O 104365334 CJXRMFVQDYBVOF-MSUUIHNZSA-N 348.194 0.739 50 40 ECGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC#N 28617771 ACMSVGOSPWKUPG-UNOMPAQXSA-N 346.387 0.770 50 40 ECGB CC(=O)N[C@H](C(=O)NNC(=O)CN1CCCc2ccccc21)C(C)C 6253364 AFBRXMYWMFQAKZ-KRWDZBQOSA-N 346.431 0.747 50 40 ECGB Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 44934155 IZUHQPDWUVIATQ-CYBMUJFWSA-N 347.419 0.714 50 40 ECGB Cn1c(=O)c2c(nc(N(CCCl)CCCl)n2C)n(C)c1=O 1661229 INNMOACNPGCTAA-UHFFFAOYSA-N 334.207 0.255 50 40 ECGB COC(=O)CC/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC 16189755 SWHDRRPIKIICJK-RVDMUPIBSA-N 337.288 0.807 50 40 ECGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccccn2)ccc1O 59515482 VTKXEIOCCOBJPX-DJKKODMXSA-N 328.328 0.562 50 40 ECGB CCc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1 409092374 VCYPHGRZPYNJNH-ZDUSSCGKSA-N 337.383 0.898 50 40 ECGB CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)Cl)c(=O)[nH]c1=O 20280795 QJURTIXRLMYSMZ-VIFPVBQESA-N 346.815 0.526 50 40 ECGB in-vitro C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 58882306 RZNAWGDVADAJSD-BFNDQCEFSA-N 345.355 0.806 50 40 ECGB CC(=O)NNC(=O)C1(NC(=O)c2ccn(C)c(=O)c2)CCCCCC1 585089323 DZMWFCHUTKTHNS-UHFFFAOYSA-N 348.403 0.375 50 40 ECGB O=C1OC(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@H]3N3C(=O)CCC3=O)[C@@H]12 104073701 MBWCUAKFJQZPGF-GXWVXKSLSA-N 342.145 0.233 50 40 ECGB C=CCc1cc(/C=N\NC(=O)CN2CCOCC2)cc(OC)c1O 59247112 GYHYZYLMEAAGQN-WQRHYEAKSA-N 333.388 0.912 50 40 ECGB COc1ccc(CNC(=O)/C(C#N)=C/N2CCC(C(N)=O)CC2)cc1 32029824 NFPQYIOHIPDDDR-NTCAYCPXSA-N 342.399 0.916 50 40 ECGB O=C(CCn1nnc2ccccc2c1=O)NNC(=O)c1ccccn1 12601719 AIVSNPRUIMKECJ-UHFFFAOYSA-N 338.327 0.038 50 40 ECGB Cc1nc(CCN2C(=O)c3ccccc3C2=O)ncc1C(=O)NN 225324904 PGJFXEOFMWRIHQ-UHFFFAOYSA-N 325.328 0.227 50 40 ECGB CCN(CC)S(=O)(=O)CCNC(=O)/C(C#N)=C\c1ccco1 71883473 VQAZIBRIELXELX-BENRWUELSA-N 325.390 0.974 50 40 ECGB Cc1cc(C)n2nc(CC(=O)NNC(=O)c3cccs3)nc2n1 5483235 DCAZBOGXFOCKRK-UHFFFAOYSA-N 330.373 0.806 50 40 ECGB CC(=O)Nc1cccc(C(=O)NNC(=O)CN2CCCCCC2=O)c1 14241109 WVHWEUWBESPUSK-UHFFFAOYSA-N 346.387 0.809 50 40 ECGB CC(=O)NNC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C 8687766 SJNDWKUBPRPCDL-UHFFFAOYSA-N 330.435 0.583 50 40 ECGB O=C(CN1CSCC1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 17157561 AARYHZXYVWESDX-UHFFFAOYSA-N 337.445 0.883 50 40 ECGB N#CCC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 59436935 QKGJLWMZRWHFCF-WOJGMQOQSA-N 330.344 0.288 50 40 ECGB O=S1(=O)C[C@H](Cl)[C@H](S[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C1 5003597 QILPMJSGBSRGJX-RULNZFCNSA-N 339.287 0.528 50 40 ECGB C/C(CC(=O)N1CCN(C=O)CC1)=N\NC(=O)c1ccc(C)cc1 4697780 WGUJVZBIOCNPOJ-NBVRZTHBSA-N 330.388 0.791 50 40 ECGB COc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100219934 UKUTXWBENUBYSL-IMIFBBOLSA-N 330.340 0.979 50 40 ECGB COC[C@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1 14014524 OKTZYBXZDUOJHG-VHSXEESVSA-N 336.417 0.902 50 40 ECGB CC(C)c1c(C(=O)N/N=C/c2ccoc2)nnn1-c1nonc1N 2381359 SOQZDOPAPBEQPZ-PJQLUOCWSA-N 330.308 0.713 50 40 ECGB COCCNC(=O)CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 59459780 LVCIQGSYVCYVFW-CXUHLZMHSA-N 338.320 0.206 50 40 ECGB CCOC(=O)/C=C/C(=O)NNC(=O)c1ccc(NC(=O)CC)cc1 4576251 FLSOYCCYBAXWQQ-MDZDMXLPSA-N 333.344 0.915 50 40 ECGB C[C@H](OC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)C(=O)NC(N)=O 7983414 CWCJQNXVFXVPNZ-MJWAUXSNSA-N 330.344 0.786 50 40 ECGB N#CCC(=O)NN/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408532748 QXDLVESQNWIHAW-BQYQJAHWSA-N 347.718 0.341 50 40 ECGB COc1cccc(OCC(=O)N/N=C(\C)Cn2nnc([N+](=O)[O-])n2)c1 8873244 DCNYDZOIYSPUGD-NTEUORMPSA-N 349.307 0.161 50 40 ECGB CNC(=S)NNC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C 33026925 JLGOLIXLZXTSDX-LLVKDONJSA-N 326.397 0.705 50 40 ECGB Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)NN 409391933 PHRHMACGFMEDHR-UHFFFAOYSA-N 349.412 0.842 50 40 ECGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)CC#N)C2=O)c(C)c1 408538913 RFWGMDYBFIDDRF-DHZHZOJOSA-N 341.327 0.305 50 40 ECGB Cn1c(=O)c2c(ncn2CCC(=O)NN=C2CCCCC2)n(C)c1=O 122055 RCAALKNOCKYZET-UHFFFAOYSA-N 346.391 0.260 50 40 ECGB biogenic COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cccnc2)cc1 223160245 XFOJTHUOGHZHST-ZDLGFXPLSA-N 326.312 0.957 50 40 ECGB Cc1ccc(C(=O)NNC(=O)Cn2nnc3ccccc3c2=O)cc1 15718747 WQJGYYDXOXKJTJ-UHFFFAOYSA-N 337.339 0.561 50 40 ECGB O=C(O)CCCCCN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 40177575 MFUVZWIALNJSHZ-JTQLQIEISA-N 325.814 0.886 50 40 ECGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 35973954 FTWBZVQJYISYFQ-FRKPEAEDSA-N 332.272 0.774 50 40 ECGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccccc1O 409381053 DGHQRFATBDYTHG-YRORDHRNSA-N 332.312 0.198 50 40 ECGB CCCCC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14184678 GFFCKXISHDAYSQ-UHFFFAOYSA-N 327.406 0.888 50 40 ECGB COCCNC(=S)NNC(=O)CSc1ccc([N+](=O)[O-])cc1 42083646 UABCNXNYHQXVIO-UHFFFAOYSA-N 344.418 0.829 50 40 ECGB CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2nccnc2N)cc1 11237982 XBGGVLKWIDSFKS-SNVBAGLBSA-N 345.359 0.686 50 40 ECGB CCCc1nnc(SCC(=O)NNC(C)=O)n1C[C@@H]1CCCO1 35313818 LWGJNJOCKIRAEI-NSHDSACASA-N 341.437 0.669 50 40 ECGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1cnccn1 12699963 KNKKRGOBKSHDJJ-UHFFFAOYSA-N 348.388 0.153 50 40 ECGB O=C(COC(=O)c1ccncc1)NNC(=O)c1ccc([N+](=O)[O-])cc1 3509075 MYFWLBPQQCWBNV-UHFFFAOYSA-N 344.283 0.608 50 40 ECGB CCOc1cc(/C=N/NC(=O)CC(=O)NCCCOC)ccc1O 59459651 UTEHQKPECFHTED-WOJGMQOQSA-N 337.376 0.784 50 40 ECGB Cc1nnc(NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)[nH]c1=O 22383308 HOLXRHCBGNVWTC-ZDUSSCGKSA-N 345.359 0.788 50 40 ECGB O=C(NNC(=O)c1ccccc1F)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 6664422 XVSWHPLMZVJENS-UHFFFAOYSA-N 342.286 0.430 50 40 ECGB CC(C)C(=O)NNC(=O)CSc1nnnn1-c1ccccc1F 4217529 SBDATYYMMHWBQR-UHFFFAOYSA-N 338.368 0.697 50 40 ECGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OC(C)=O 33309446 KVTQSLJWIGTRJQ-YVLHZVERSA-N 335.360 0.403 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1ccn(Cn2cccn2)n1 252489374 JPNHVEHXWKURTJ-LZYBPNLTSA-N 330.327 0.530 50 40 ECGB O=C(CNC(=O)c1ccccc1)NCC(=O)N/N=C/c1ccco1 4892612 JIZBZUWILSARDJ-DJKKODMXSA-N 328.328 0.276 50 40 ECGB Cc1nn(C)cc1S(=O)(=O)NNC(=O)Cc1ccc(Cl)cc1 71285322 QQMUIEICFVHNIL-UHFFFAOYSA-N 342.808 0.934 50 40 ECGB O=C(NNC(=O)[C@H]1CCS(=O)(=O)C1)C1C2CC3CC(C2)CC1C3 52398633 PBZVLHDSUOCRPJ-FZLVIXCJSA-N 340.445 0.641 50 40 ECGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)CCN1CCOCC1 24631620 OBMNMPNPSWWRAD-SNAWJCMRSA-N 348.359 0.478 50 40 ECGB O=C(O)[C@H]1[C@H](C(=O)O)[C@H]2O[C@H]1[C@H](Br)[C@@H]2Br 100133706 YAUAFDGEUWEBOP-ADOSBGCESA-N 343.955 0.696 50 40 ECGB in-vitro Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409382661 MYAGNZNSGXXCFP-ZOPJHEKZSA-N 330.340 0.800 50 40 ECGB COc1ccc(N(C(=O)CCl)[C@H]2CS(=O)(=O)C[C@H]2O)cc1 40177682 MUZONDKMAGCCLO-NWDGAFQWSA-N 333.793 0.425 50 40 ECGB CCOc1ccc(N2C(=O)C[C@H](NNC(=O)CCCO)C2=O)cc1 102407382 UDBOWAADCIUNPI-ZDUSSCGKSA-N 335.360 0.111 50 40 ECGB CC(C)c1ccc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc1 94517 FFPZBMVZDZTARS-RQZCQDPDSA-N 329.360 0.665 50 40 ECGB O=C(COc1cccc2ccccc12)NN=C1C(=O)NC(=O)NC1=O 3034384 KNCHRTUGAGHEHS-UHFFFAOYSA-N 340.295 0.057 50 40 ECGB Cc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc[nH]c1=O 12559244 QMWCFPZNTVCZKF-UHFFFAOYSA-N 325.328 0.494 50 40 ECGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)CNc2ccccc2)cc1 83989582 LDCXAWNITMVQSD-UHFFFAOYSA-N 347.396 0.963 50 40 ECGB NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](CCl)NS2(=O)=O 197050694 ILEKCYUSYWEDPL-QMMMGPOBSA-N 346.217 0.256 50 40 ECGB in-vitro O=C(NCc1cccnc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3061850 MVPALAMZWMQDIF-VCHYOVAHSA-N 327.300 0.756 50 40 ECGB O=C(C[C@@H]1CCS(=O)(=O)C1)N/N=C/c1cccc([N+](=O)[O-])c1 1286813 LWOYSUJWMCVENS-KYJZABPNSA-N 325.346 0.870 50 40 ECGB CCOC(=O)NNC(=O)CNC(=O)c1cc(OC)cc(OC)c1 8388801 NNONBYCZVGEJBT-UHFFFAOYSA-N 325.321 0.211 50 40 ECGB COCCNC(=S)NNC(=O)CSc1ccc(OC)cc1 408585051 BGJLWNPSGCZXHS-UHFFFAOYSA-N 329.447 0.929 50 40 ECGB CCc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 575419882 ADBWQDOZBFXBFR-VXGBXAGGSA-N 337.850 0.932 50 40 ECGB CCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CBr 35605067 TVHUDMZCPUKKNR-SNVBAGLBSA-N 349.225 0.832 50 40 ECGB O=C1NC(=S)N=C(O)/C1=C\NNC(=O)c1ccccc1[N+](=O)[O-] 3067009 YNLQXOHJHPNKSJ-UHFFFAOYSA-N 335.301 0.084 50 40 ECGB O=S1(=O)C[C@H](Cl)[C@H](S[C@H]2CCS(=O)(=O)[C@@H]2Cl)C1 5003847 CSDZSCBNXGPRFN-HSNKUXOKSA-N 339.287 0.876 50 40 ECGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 48990 OSADPDJTUZROBY-NSHDSACASA-N 344.758 0.956 50 40 ECGB biogenic,in-vitro COc1ccc(C(=O)CN[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1OC 575421269 HOKBRRYKJHMTOR-WDEREUQCSA-N 347.820 0.881 50 40 ECGB NNC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1 16428937 DRELWYBOFANDBZ-UHFFFAOYSA-N 327.406 0.666 50 40 ECGB CN1C(=O)[C@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2ccccc21 72405452 MRLRANBLAYTLIR-SFHVURJKSA-N 336.351 0.787 50 40 ECGB CN1N=C(C(=O)NNC(=O)CN2CCCc3ccccc32)CCC1=O 21778478 JMJWNTMRGXXHHC-UHFFFAOYSA-N 343.387 0.195 50 40 ECGB O=C(COC(=O)[C@H]1CCCO1)NNC(=O)c1ccc([N+](=O)[O-])cc1 7736162 FKXFFARUCRZODY-LLVKDONJSA-N 337.288 0.078 50 40 ECGB O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc([N+](=O)[O-])cc1 127201939 ZAFILOHNDKXKDO-UKJIMTQDSA-N 345.311 0.879 50 40 ECGB Cc1c(C(=O)NNc2cc(=O)n(C)c(=O)n2C)cccc1[N+](=O)[O-] 2706519 UKOAOIBWMNXDSC-UHFFFAOYSA-N 333.304 0.058 50 40 ECGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)Nc3[nH]c(=O)[nH]c(=O)c32)c1 4942682 LNGKDZKFQOSNDW-NSHDSACASA-N 341.327 0.332 50 40 ECGB COc1ccc(C(=O)NNC(=O)CNc2ccccc2OC)cn1 12533479 HYBYSAZYKBVIFQ-UHFFFAOYSA-N 330.344 0.972 50 40 ECGB O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)c1cnccn1 2257609 VGZHIPLHFZHZKQ-VOTSOKGWSA-N 327.369 0.826 50 40 ECGB CC(=O)OC[C@]1(OC(=O)CC(C)C)CO[C@@H](O)[C@H]2C(C=O)=CC=C21 5440622 WBCKSAACKDSJQC-BBWFWOEESA-N 338.356 0.908 50 40 ECGB biogenic Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@H](O)CCl 41574 SGMHHYJTZBBAMU-SECBINFHSA-N 341.799 0.013 50 40 ECGB COc1ccc(/C=N/NC(=O)CCN2CCN(C)CC2)cc1OC 21487149 YWFZKXGTIKXWQR-QGOAFFKASA-N 334.420 0.791 50 40 ECGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)C(=O)NCCO 13142286 DVSWWQYOWJGFAP-GIJQJNRQSA-N 340.767 0.269 50 40 ECGB NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] 1708585 GVESEQVZGINUSC-ZDUSSCGKSA-N 328.328 0.926 50 40 ECGB CCOC(=O)COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1 59246525 YHFROVIUOOOXAG-WQRHYEAKSA-N 349.387 0.411 50 40 ECGB O=C(Cc1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2ccccc21 100509076 BGVMKKPIKFGOPI-UHFFFAOYSA-N 336.351 0.818 50 40 ECGB O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1ccncc1 4965888 ZNSRMZPYOBIMRF-UHFFFAOYSA-N 326.360 0.549 50 40 ECGB CCOC(=O)C(=N/O)/C(C)=N/NC(=O)C(=O)Nc1ccc(C#N)cc1 5477938 HHYQNRGOVKCYCK-QCXVHMEBSA-N 345.315 0.382 50 40 ECGB COc1ccc(N(C(=O)CCl)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1 40177679 MUZONDKMAGCCLO-NEPJUHHUSA-N 333.793 0.425 50 40 ECGB C[C@]1(C(N)=O)CC[C@H]([C@@H]2NC(=O)NC2=O)[C@]1(C)CBr 675009606 MGTXYUZTPYUGHX-QTXBENEDSA-N 332.198 0.497 50 40 ECGB NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 16479139 OJOPUVVCZAVAME-UHFFFAOYSA-N 333.413 0.910 50 40 ECGB COc1cc(OC)cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)c1 11999342 PKORQNFGOJWBIH-NWDGAFQWSA-N 333.793 0.838 50 40 ECGB CCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CBr 35605041 PVYFGNZJHWIUOM-SECBINFHSA-N 335.198 0.442 50 40 ECGB NCCCCCCNC(=S)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 40167862 ZBEUFSGONMVSQH-UWVGGRQHSA-N 327.903 0.374 50 40 ECGB NC(=O)NN/C=C1/C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 6829898 ZAKHEPLAOOGMJU-FLIBITNWSA-N 339.311 0.479 50 40 ECGB CC[C@@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)CBr 35605111 JYSBBRBUETVZBC-BDAKNGLRSA-N 335.198 0.440 50 40 ECGB CSCC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 6507847 NKVRSDGYDFVONA-UHFFFAOYSA-N 345.446 0.126 50 40 ECGB O=C(NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12)c1cccc([N+](=O)[O-])c1 100396650 UNTMJIRHSOANHH-OVZMXSCWSA-N 344.279 0.348 50 40 ECGB Cc1nn(C)c(C)c1[C@H]1C(C#N)=C(N)Oc2c1oc(CO)cc2=O 13629981 UBWLZTWLBXSEDA-CYBMUJFWSA-N 328.328 0.701 50 40 ECGB CC1=C(C#N)C(O)=NC(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1 100787272 OCSAWADUTJQITO-WOJGMQOQSA-N 333.329 0.439 50 40 ECGB CCN1C(=O)/C(=C\NNC(=O)c2ccccc2O)C(O)=NC1=S 34210697 QACXDEVCBKCTQN-CLFYSBASSA-N 334.357 0.614 50 40 ECGB O=C(CBr)OCCOCCOC(=O)CBr 1615306 ODNPUMPXGXZVLR-UHFFFAOYSA-N 347.987 0.879 50 40 ECGB O=C(NCc1ccncc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 59459501 GMVDXJCIPLJDQT-VCHYOVAHSA-N 327.300 0.756 50 40 ECGB COc1cc(/C=C(\C#N)C(=O)NCCN2CCOCC2)ccc1O 16699595 UCJDUWAIVJVUSA-GXDHUFHOSA-N 331.372 0.756 50 40 ECGB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN)C2)cc1C 408555838 GWIJPLZWBDOVOT-GFCCVEGCSA-N 341.433 0.784 50 40 ECGB COc1ccc(C(=O)NNc2nnc(C(C)(C)C)c(=O)n2N)cc1 6586086 OXIRDLHIFFLPMN-UHFFFAOYSA-N 332.364 0.415 50 40 ECGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C1/C(=O)N(C)c2ccccc21 6607779 HITZUXYCJHWUBZ-NBVRZTHBSA-N 342.315 0.597 50 40 ECGB CC(=O)N1CCCc2cc(S(=O)(=O)NNC(=O)C(C)C)ccc21 8775175 RZOKSAOHFSZRNT-UHFFFAOYSA-N 339.417 0.951 50 40 ECGB N#C/C(C(=O)NN1C(=O)CCC1=O)=C(/O)c1ccc([N+](=O)[O-])cc1 100702004 BKZTZPHPVCLKFM-RAXLEYEMSA-N 330.256 0.568 50 40 ECGB CN(C)S(=O)(=O)c1c[nH]c(C(=O)NNC(=O)c2cccs2)c1 31590667 JUEIQFFTBKKINH-UHFFFAOYSA-N 342.402 0.401 50 40 ECGB CN1CC[N+]2(CC1)C[C@@](C)(O)C[C@@H]2CI 160473 RMUYGKURLCGPPK-MNOVXSKESA-N 325.214 0.707 50 40 ECGB CN(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1 59515616 FNUUJZCFIZYSMN-RGVLZGJSSA-N 325.372 0.914 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)CNC(=O)c1cc(C)cc(C)c1 104591795 FSKMWJXHECRGNK-OWBHPGMISA-N 329.356 0.902 50 40 ECGB O=C(C[C@@H]1CCS(=O)(=O)C1)NN=Cc1cccc([N+](=O)[O-])c1 6142214 LWOYSUJWMCVENS-NSHDSACASA-N 325.346 0.870 50 40 ECGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1O 2387296 DKFBGEXKUQEHCY-MIUNIBSDSA-N 325.752 0.791 50 40 ECGB O=C(Cn1nnc(N2CCOCC2)n1)N/N=C\c1ccccc1Cl 31771987 BHBDPDGAPAWHCG-SXGWCWSVSA-N 349.782 0.313 50 40 ECGB O=C(N/N=C\c1ccc(O)cc1)C(=O)N/N=C/c1ccc(O)cc1 73111096 SVRIGJRNCBDGDB-BUOZRGFLSA-N 326.312 0.698 50 40 ECGB CC(C)c1nnc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575420603 CQKZEEBJXNQFTM-BQBZGAKWSA-N 338.842 1.187 50 40 ECGB C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C1CC1 3395706 OVUWSJPFEWZDIB-USKTWTLRSA-N 337.401 0.523 50 40 ECGB CCCCC(=O)NNC=C1C(=O)N(CC)C(=S)N(CC)C1=O 5824833 SAZVRECYJBMLHC-UHFFFAOYSA-N 326.422 0.677 50 40 ECGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)Cn1nnc2ccccc21 25581703 ZHACRNZTHPFPDU-OQLLNIDSSA-N 343.307 0.123 50 40 ECGB CCCOc1ccc(/C=N/NC(=O)Cn2nnnc2N)cc1OC 2317566 XKGTXRCCCOATTI-LZYBPNLTSA-N 333.352 0.203 50 40 ECGB C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CN(C)CCO3)cc2C1 81229752 GBUBOLUCYYQICU-ZYHUDNBSSA-N 337.445 0.965 50 40 ECGB O=C(CCc1nnc(-c2ccccc2)o1)NNC(=O)C(=O)NC1CC1 9316007 KMADXKVMOBUBSS-UHFFFAOYSA-N 343.343 0.095 50 40 ECGB CCCCC(=O)NN/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 2251491 RTTQRYZZWMAZAL-BENRWUELSA-N 330.344 0.964 50 40 ECGB OB(O)c1cccc(I)c1Br 169994973 KBJHIDMBOYUKRM-UHFFFAOYSA-N 326.724 0.734 50 40 ECGB N[C@H](CCSSCC[C@@H](N)P(=O)(O)O)P(=O)(O)O 1584375 XQQQJQJIMDCXSC-WDSKDSINSA-N 340.300 0.073 50 40 ECGB Cc1ccccc1N1CCN([C@H](C)Cn2cc(C(=O)NN)nn2)CC1 98212438 AJCBWVIWKSZGBE-CQSZACIVSA-N 343.435 0.401 50 40 ECGB O=C(NN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)c1ccncc1 100115992 WFSXAROMEROYFA-ZDUSSCGKSA-N 328.303 0.787 50 40 ECGB O=C(NNC(=O)c1cnccn1)c1cccc(N2CCCC2=O)c1 11225639 CCZNYBGKXKHOSM-UHFFFAOYSA-N 325.328 0.678 50 40 ECGB CC(C)(C)Nc1nc(SCC(=O)NN)nc(N2CCOCC2)n1 1443449 DAQARJKOCGOMML-UHFFFAOYSA-N 341.441 0.001 50 40 ECGB O=C(NNC(=O)[C@H]1Cc2ccccc2O1)[C@@H]1COc2ccccc2O1 12847078 UKCCNJXBPSCHMA-CVEARBPZSA-N 340.335 0.978 50 40 ECGB CCOC(=O)NNC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 36618285 YBXVOJVWIPYXBT-UHFFFAOYSA-N 326.353 0.361 50 40 ECGB O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1nc[nH]n1 16431034 GUPLQRFHKDDCOX-UHFFFAOYSA-N 335.121 0.653 50 40 ECGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc(O)c1 2520696 QIXUFEITDJANFO-GIDUJCDVSA-N 328.292 0.010 50 40 ECGB COc1ccnc(NNC(=O)Cn2cnc3ccccc3c2=O)n1 40510808 LXDDSORRYHSRCC-UHFFFAOYSA-N 326.316 0.338 50 40 ECGB CC(C)N1C(=O)/C(=N/NC(=O)CN2CCOCC2)c2ccccc21 6327545 FIHYJWWIFHBNAW-KNTRCKAVSA-N 330.388 0.594 50 40 ECGB Cn1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1=O 30565957 RXECZTGOFWRDCO-UHFFFAOYSA-N 339.149 0.551 50 40 ECGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1 58873310 JSNGOJSMIUCJHQ-GIJQJNRQSA-N 348.403 0.565 50 40 ECGB COc1ccc(S(=O)(=O)N2CCC(C(=O)NN)CC2)cc1Cl 409358037 JVJNRZDDZHSJPX-UHFFFAOYSA-N 347.824 0.739 50 40 ECGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(O)cc1O 4132465 VSQSEAHAXDHMTA-RQZCQDPDSA-N 338.327 0.902 50 40 ECGB O=C(CNC(=O)c1cccs1)N/N=C1\C(=O)Nc2ccccc21 5731652 OMZKHTRPGWDLMD-UHFFFAOYSA-N 328.353 0.951 50 40 ECGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc(OC)c1OC 59246517 SBBZLKZAJQETOL-LICLKQGHSA-N 337.376 0.495 50 40 ECGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccco1 8734607 QGWKGNRMCQRIOV-UHFFFAOYSA-N 336.373 0.956 50 40 ECGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccco2)c1 9155582 JFSXNDVKALUKBP-UHFFFAOYSA-N 326.330 0.920 50 40 ECGB COC(=O)[C@@H]1[C@H](CBr)N1N1C(=O)c2ccccc2C1=O 4086832 SILWPUNSWZQLOD-WUAMPTBBSA-N 339.145 0.818 50 40 ECGB O=C(NNS(=O)(=O)c1cnnn1-c1ccccc1)C1CCCC1 585140976 NAFHGVMGQWYPME-UHFFFAOYSA-N 335.389 0.767 50 40 ECGB O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1cccs1 6508937 UVMMFDAXNALUCV-UHFFFAOYSA-N 328.353 0.988 50 40 ECGB COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)ccc1O 409265847 UOHIPVWTPDKPDN-VCHYOVAHSA-N 337.376 0.782 50 40 ECGB CC(C)C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 32674007 XDGAKOKZXVUWAC-SNVBAGLBSA-N 333.344 0.572 50 40 ECGB CC(C)CC(=O)NNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 22903344 UMARBPHHDKDOFY-UHFFFAOYSA-N 327.362 0.487 50 40 ECGB CNC(=S)NNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C 33026922 JLGOLIXLZXTSDX-NSHDSACASA-N 326.397 0.705 50 40 ECGB COc1ccc(C(=O)NNC(=O)C(=O)NCc2ccccc2)cc1 3064595 BMNZGOHMYWTUMD-UHFFFAOYSA-N 327.340 0.773 50 40 ECGB Cc1ccc(CC(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)cn1 44979814 MHBZCEJVKWKORT-UHFFFAOYSA-N 347.396 0.797 50 40 ECGB O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1cccc(O)c1 12902446 ITOQNZKCZFCVCB-UHFFFAOYSA-N 338.323 0.632 50 40 ECGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1 5214524 HEHLNKTXHCCFSW-UHFFFAOYSA-N 349.368 0.974 50 40 ECGB COc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)ccc1O 17433663 UUWHVSDJFZGFDC-VXLYETTFSA-N 328.328 0.562 50 40 ECGB CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccco2)c2ccccc21 5909346 NZHVSZRDRQABLN-HKWRFOASSA-N 340.339 0.896 50 40 ECGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cc(Cl)ccc1O 2387291 DKFBGEXKUQEHCY-RGOWCBCBSA-N 325.752 0.791 50 40 ECGB O=C(NNS(=O)(=O)c1cc(F)c(F)c([N+](=O)[O-])c1)C1CCC1 1615550655 LJEDCPKYMYXCGF-UHFFFAOYSA-N 335.288 0.983 50 40 ECGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN1CSCC1=O 8029632 RCYGKLPGTKZOCY-VIFPVBQESA-N 341.364 0.273 50 40 ECGB CO/N=C/C(C#N)=C\C=C/Nc1ccc(S(=O)(=O)N=C(N)N)cc1 17123767 DHEQCZLYCDBKMP-RYAGUOIHSA-N 348.388 0.656 50 40 ECGB COc1ccc(C(=O)NCC(=O)NNC(=O)c2ccncc2)cc1 2713495 AICGZLMIFSNPQQ-UHFFFAOYSA-N 328.328 0.281 50 40 ECGB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NNC(=O)C(=O)NC1CC1 10214243 DMVNSVYLRWNOGV-UHFFFAOYSA-N 341.327 0.290 50 40 ECGB O=C(CCl)NCc1ccccc1S(=O)(=O)N1CCOCC1 32626875 KSFIRGQJUIMIAA-UHFFFAOYSA-N 332.809 0.563 50 40 ECGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])s1 3169352 GFFVEXLWZBLVSZ-ZETCQYMHSA-N 333.285 0.663 50 40 ECGB Cc1ccc(S(=O)(=O)NNC(=O)[C@]2(C)C[C@@]2(C)C(=O)O)cc1 1664304 ORCGNDAITUBKJY-KBPBESRZSA-N 326.374 0.805 50 40 ECGB Cc1cc(C)cc(N2CC[C@@H](C(=O)NNC(=O)[C@@H]3CCCO3)C2=O)c1 53508779 QSYAHDDKXXMUPJ-GJZGRUSLSA-N 345.399 0.983 50 40 ECGB O=C(CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cnccn1 32903674 HXTZRMGXQCGPKP-UHFFFAOYSA-N 333.329 0.938 50 40 ECGB NNC(=O)[C@H](NC(=O)c1ccccc1)[C@H]1OC(=O)c2ccccc21 4109109 OGHMROWZAKIMCU-KGLIPLIRSA-N 325.324 0.687 50 40 ECGB Cc1cccc(C)c1NC(=O)CCC(=O)NNc1nnc(C)n1N 1620594 ZYUNDXFUDCYZTM-UHFFFAOYSA-N 331.380 0.779 50 40 ECGB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NN)CC2)cc1 3885873 BGYGQKHVYYMOSU-UHFFFAOYSA-N 327.406 0.476 50 40 ECGB Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1C 157763780 DTQFYRVGKSJORJ-VXGBXAGGSA-N 337.850 0.986 50 40 ECGB COc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1OC 9486366 JANCVCQSFISMIQ-ZJUUUORDSA-N 333.793 0.838 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1 252481581 COMVMLGODZGTFH-PDMWYYABSA-N 337.315 0.759 50 40 ECGB COc1ccc(C2=NO[C@@H]3[C@H]4CO[C@H](O4)/C(=N\NC(N)=O)[C@H]23)cc1 6668861 HAVOHKDFGJTVTH-RASDJRJFSA-N 332.316 0.194 50 40 ECGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1c[nH]c2ccccc12 8873248 GQSAVLJZPDPNGO-OVCLIPMQSA-N 328.292 0.869 50 40 ECGB CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1ccccc1Cl 6779503 KNBRSCGWEOGXIT-LBPRGKRZSA-N 342.783 0.559 50 40 ECGB N[C@@H](CCSSCC[C@H](N)P(=O)(O)O)P(=O)(O)O 1584378 XQQQJQJIMDCXSC-PHDIDXHHSA-N 340.300 0.073 50 40 ECGB O=C(NNC1=NS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 267020 QYWIDRAYXPXGOZ-UHFFFAOYSA-N 346.324 0.978 50 40 ECGB Cn1nc(C(=O)NNC(=O)c2ccc(O)nc2)c2ccccc2c1=O 17192586 BKPFAQRMCOYLTD-UHFFFAOYSA-N 339.311 0.109 50 40 ECGB Cc1ccc(C(=O)NNC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409382658 MYAGNZNSGXXCFP-HPTBWKMGSA-N 330.340 0.800 50 40 ECGB O=C(NNC(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 96013251 NBGNHCTWODTJLJ-UHFFFAOYSA-N 328.284 0.995 50 40 ECGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(F)cc1 25762127 NYOGYVAPZSEVBM-REZTVBANSA-N 344.310 0.834 50 40 ECGB O=C(NCc1ccccn1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 59515617 LOFQDDPPFKOHSU-GIJQJNRQSA-N 327.300 0.756 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 104802054 YMJHTGNUZWPGSH-IPPYBGAYSA-N 333.344 0.030 50 40 ECGB O=C(NC[C@@H]1COCCO1)NNC(=O)C12CC3CC(CC(C3)C1)C2 57082745 OSTLZYUXDQCCQF-DLUQRMLASA-N 337.420 0.949 50 40 ECGB CCOC(=O)[C@H]1[C@@H](C(=O)NN)[C@@H]1C(=O)Nc1ccc(Cl)cc1 5473378 SUGJHUKBAKPJNA-GARJFASQSA-N 325.752 0.694 50 40 ECGB Cc1c(C(=O)NNC(=O)c2cccs2)[n+]([O-])c2ccccc2[n+]1[O-] 2565067 JBGOZPATMVOLSL-UHFFFAOYSA-N 344.352 0.551 50 40 ECGB Cc1ccc(C(=O)NNC(=O)[C@H](C)Sc2nc(N)cc(N)n2)cc1 4125106 QEGBTDBJIUFJHP-VIFPVBQESA-N 346.416 0.891 50 40 ECGB Cc1c(C(=O)N/N=C/c2cccc(F)c2)nnn1-c1nonc1N 4750782 IMCHYTXBQBQKKO-OMCISZLKSA-N 330.283 0.444 50 40 ECGB NC(=O)N/N=C\c1cn(C[C@@H](O)CN2CCOCC2)c2ccccc12 19891701 HJXIBCKXCSJUSV-GPMKDSKKSA-N 345.403 0.337 50 40 ECGB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)NN)cc1Cl 39986475 HOXVIYJZBFEWNP-UHFFFAOYSA-N 335.813 0.739 50 40 ECGB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)NNC(=O)c1ccccc1 26010453 XMSPGWCISAHXGJ-UHFFFAOYSA-N 344.323 0.875 50 40 ECGB COc1ccc(/C=N/NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1OC 60270 GBEWCFPFZRMZJI-GIDUJCDVSA-N 334.292 0.354 50 40 ECGB COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CCl 3243312 NYCCKFHKMDIXMU-UHFFFAOYSA-N 348.808 0.893 50 40 ECGB Cn1c(CN(CCCl)CCCl)nc2c1c(=O)[nH]c(=O)n2C 1847040 VTWVBCAWPSUZOK-UHFFFAOYSA-N 334.207 0.240 50 40 ECGB COc1ccc([C@@H]2C(C#N)=C(N)NC(=S)[C@@H]2C(N)=O)c(OC)c1 3771960 XRYZWMKNMZHNKI-NEPJUHHUSA-N 332.385 0.513 50 40 ECGB CCOc1ccccc1/C=N/NC(=O)CSc1n[nH]c(=O)[nH]c1=O 13543978 UMIYKWMYQKSSGE-VIZOYTHASA-N 349.372 0.099 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1cc(Cl)c([N+](=O)[O-])n1 252492340 MJLRYXWIBNPVHI-LZWSPWQCSA-N 343.706 0.776 50 40 ECGB CC(C)=NNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409029310 YWDSUKRPRIIYDK-UHFFFAOYSA-N 328.350 0.873 50 40 ECGB C/C(=N\NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1ccc(Cl)cc1 17045188 RXSGDNXGWDURDS-CAOOACKPSA-N 335.751 0.585 50 40 ECGB CCc1nnc(SCC(=O)NNC(=O)COc2ccccc2)[nH]1 7604906 RYKRGSKFFQPMHE-UHFFFAOYSA-N 335.389 0.686 50 40 ECGB CCn1ncc(/C=N/NC(=O)c2ccn(Cn3cccn3)n2)c1F 252484307 FUDFNHMCNQCUBG-LZYBPNLTSA-N 330.327 0.705 50 40 ECGB Cc1occc1C(=O)NNC(=O)N1CCN(c2ncccn2)CC1 40498173 ASEZVRSNJQVTSY-UHFFFAOYSA-N 330.348 0.555 50 40 ECGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 29558222 GWDKOPHTJIHNCE-QWRGUYRKSA-N 349.362 0.751 50 40 ECGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccccc1O 8442796 KOXQPTADTWSEQP-FRKPEAEDSA-N 342.319 0.401 50 40 ECGB O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc([N+](=O)[O-])cc1 293190055 ZAFILOHNDKXKDO-XRRVDJEJSA-N 345.311 0.879 50 40 ECGB CC1(C)NC(=O)N(CC(=O)NNC(=S)Nc2ccccc2)C1=O 16577143 POHJQBONWDUWLA-UHFFFAOYSA-N 335.389 0.335 50 40 ECGB Cc1cc(C)cc(N2CC[C@@H](C(=O)NNC(=O)[C@H]3CCCO3)C2=O)c1 53508786 QSYAHDDKXXMUPJ-LSDHHAIUSA-N 345.399 0.983 50 40 ECGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1[N+](=O)[O-] 25580846 NAPMLOFBZUTVBF-KPKJPENVSA-N 334.252 0.295 50 40 ECGB Cc1ccc(S(=O)(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 4392996 ZFZKYTQIFXVXQP-NSHDSACASA-N 346.430 0.129 50 40 ECGB O=C(NNC(=S)NC[C@H]1CCCO1)c1n[nH]c(=O)c2ccccc12 5268785 KHUIQWYZOUKPJE-SECBINFHSA-N 347.400 0.211 50 40 ECGB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NN)C1 38556527 UEFLKCVTVNJNIQ-SECBINFHSA-N 347.824 0.739 50 40 ECGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccn1 9313165 ZSTRWNGBXXKADV-UHFFFAOYSA-N 329.272 0.390 50 40 ECGB COc1c(Br)cc(Br)c(OC)c1B(O)O 642814632 OALBYDZRQJCTNH-UHFFFAOYSA-N 339.776 0.909 50 40 ECGB CCCc1c(C(=O)N/N=C/c2ccco2)nnn1-c1nonc1N 9478903 SHDOAEVZHHTGOV-VIZOYTHASA-N 330.308 0.542 50 40 ECGB C=CCN1C(=O)[C@@H](CC(=O)O)S/C1=N/NC(=O)c1ccccc1O 5377371 BQAJRURBYSBVTG-WYFZMLARSA-N 349.368 0.998 50 40 ECGB CCOC(=O)c1c(NC(=O)C(=O)NN)sc2c1CC(C)(C)OC2 6719637 ZXNDORWCUAZHCK-UHFFFAOYSA-N 341.389 0.705 50 40 ECGB O=C(NNC(=O)[C@@H]1CCCN(c2cnccn2)C1)c1ccccn1 44908247 XGHKNWGRJSTVBR-GFCCVEGCSA-N 326.360 0.549 50 40 ECGB C[C@H]1C[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14185588 FCKQZMGYTVONOD-JOYOIKCWSA-N 325.390 0.354 50 40 ECGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1 16693908 OFZMWHBHLHYJBB-JYRVWZFOSA-N 346.368 0.468 50 40 ECGB COCCNC(=S)NNC(=O)c1sc2ncccc2c1N 19894296 GZSKYEUVCPZBCU-UHFFFAOYSA-N 325.419 0.634 50 40 ECGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccccc1 25761335 DVQAAPIMZKFSKA-LZYBPNLTSA-N 326.320 0.695 50 40 ECGB O=C1O[C@@H]2[C@@H](Br)[C@H]3C[C@H]2[C@@H]1[C@@H]3C(=O)N1CCOCC1 102601108 ZWWUOBHNIOLLFF-OVFHJWECSA-N 330.178 0.416 50 40 ECGB CS(=O)(=O)SCCOCCOCCSS(C)(=O)=O 2379129 LXWJSGGRYYFDPB-UHFFFAOYSA-N 338.494 0.405 50 40 ECGB in-vitro Cc1cc(C)nc(NNC(=O)CC(=O)NNc2nc(C)cc(C)n2)n1 162456 PBYPCACDZBSREB-UHFFFAOYSA-N 344.379 0.477 50 40 ECGB CC(C)=NNC(=O)c1ccc(CSc2n[nH]c(=O)[nH]c2=O)cc1 4864868 ANQXKIUUCSTINQ-UHFFFAOYSA-N 333.373 0.876 50 40 ECGB NNC(=O)CC(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 71195821 FYTKHSBQAGAWOY-UHFFFAOYSA-N 348.384 0.806 50 40 ECGB Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c1 157767853 XPKXNBQTIUWXON-GHMZBOCLSA-N 337.850 0.986 50 40 ECGB O=C(NCc1nc2ccccc2[nH]1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 575421991 LJUPVTSDYBPIDD-LDYMZIIASA-N 342.808 0.767 50 40 ECGB COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c(OC)c1 7782436 OYPKWENHZPHFMW-AGZSBTIMSA-N 335.360 0.449 50 40 ECGB Cc1ccc(NCC(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1 12534596 OFMJHHSZYXZUEA-UHFFFAOYSA-N 345.315 0.465 50 40 ECGB Cc1cc(C(=O)NNC(=O)CNC(=O)COc2ccccc2)c(C)o1 5062750 VTGCWHKPGNZRMP-UHFFFAOYSA-N 345.355 0.853 50 40 ECGB Cc1ccc(C(=O)NNC(=O)CCNC(=O)c2ccncc2)cc1 32921944 DGDIBUJJGKJVJX-UHFFFAOYSA-N 326.356 0.971 50 40 ECGB NNC(=O)[C@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1 225328964 KJAICSZYRTXBMC-OAHLLOKOSA-N 327.340 0.850 50 40 ECGB O=C(NNC1=NS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 3195967 FNLMDTDEIGYCKU-UHFFFAOYSA-N 346.324 0.978 50 40 ECGB O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccccc1O 7738392 NLJKWUKJYYWPJD-UHFFFAOYSA-N 338.323 0.632 50 40 ECGB Cc1csc(=O)n1CC(=O)OCC(=O)NNC(=O)c1ccccc1 15940577 NDHUEVDICHCJPK-UHFFFAOYSA-N 349.368 0.223 50 40 ECGB O=S1(=O)C[C@H](Cl)[C@@H](S[C@@H]2CS(=O)(=O)C[C@@H]2Cl)C1 5003596 QILPMJSGBSRGJX-DKXJUACHSA-N 339.287 0.528 50 40 ECGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 2697052 IVHAWDXQWYOIMT-VNKGSWCUSA-N 335.341 0.805 50 40 ECGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)C[C@@H]1C(=O)NN=C1C 100334310 YRQAWKYBFVCKKB-CPWFCVNUSA-N 348.359 0.675 50 40 ECGB CCCCCC(=O)N[C@H](CSSC[C@H](N)C(=O)O)C(=O)O 4726245 LRBVTGMFBRIVKQ-DTWKUNHWSA-N 338.451 0.929 50 40 ECGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1OC 59515813 KMUOWPKTBZFPMK-KBSHCFNASA-N 335.360 0.449 50 40 ECGB C=CCN1C(=O)/C(=C\NNC(=O)c2ccncc2)C(O)=NC1=S 34210518 VQXGLJKJOZWEHT-NTMALXAHSA-N 331.357 0.470 50 40 ECGB O=C(NNC1=NCCC1)c1cccc(S(=O)(=O)N2CCCC2)c1 5573999 MGXFVZIMHAMTES-UHFFFAOYSA-N 336.417 0.898 50 40 ECGB CCn1ncc(/C=N/NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1F 252483919 FKYQSWRIHSZQLT-PJQLUOCWSA-N 337.315 0.914 50 40 ECGB NNC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408601785 HGVZNCLTWJUXSA-UHFFFAOYSA-N 327.406 0.620 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 252479338 BDHAABGFPOBXET-PJQLUOCWSA-N 337.315 0.739 50 40 ECGB COc1cc(/C=N\NC(=O)c2nonc2N)cc2sc(=O)oc12 32124950 HTMIIEONGUNHGL-CPSFFCFKSA-N 335.301 0.592 50 40 ECGB biogenic Cc1cc(C)n2nc(CC(=O)NNC(=O)Cc3ccccc3)nc2n1 5482855 XXJLOYWHIZMVEI-UHFFFAOYSA-N 338.371 0.674 50 40 ECGB C=CCNC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 14569526 GQQHFGRGGLQXIY-ZDUSSCGKSA-N 332.429 0.716 50 40 ECGB COc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2)cc1 3255938 LANZEYAOYJGKIQ-UHFFFAOYSA-N 343.339 0.860 50 40 ECGB Cc1cc(C)cc(OCC(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c1 7955591 XATJCRDHLAARTP-LBPRGKRZSA-N 340.401 0.264 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cc1ccc(-n2cnnn2)cc1 252487354 HUYSIKSHFUKIAX-CAOOACKPSA-N 342.338 0.536 50 40 ECGB O=C(/C=C/c1cccs1)NC(=S)NNC(=O)c1cnccn1 2235197 PHXPYUKYJJTHDQ-ONEGZZNKSA-N 333.398 0.887 50 40 ECGB O=C(NNC(=O)C1CCN(c2ncccn2)CC1)c1cccnc1 44936675 OBDKVWQNJKWIND-UHFFFAOYSA-N 326.360 0.549 50 40 ECGB CC(C)CC(=O)NNC(=S)Nc1ccc(S(N)(=O)=O)cc1 13555425 ILRXTDYDJJHFKG-UHFFFAOYSA-N 330.435 0.698 50 40 ECGB Cc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)c1 66481 BDIYDINSXGOGDO-FRKPEAEDSA-N 326.320 0.613 50 40 ECGB O=C1O[C@H]2[C@@H](Br)[C@H]3C[C@@H]2[C@@H]1[C@@H]3C(=O)N1CCOCC1 102601109 ZWWUOBHNIOLLFF-ZESFFYIMSA-N 330.178 0.416 50 40 ECGB Cc1ccccc1/C=N/NC(=O)c1c(C)nnn1-c1nonc1N 2542057 IJGKWNVGBNITIM-FRKPEAEDSA-N 326.320 0.613 50 40 ECGB CSc1nc(N2CCOCC2)c2cc(C(=O)NN)sc2n1 223464033 GAAOECYTIDMIPQ-UHFFFAOYSA-N 325.419 0.853 50 40 ECGB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)C2)cc1[N+](=O)[O-] 4681858 PWNQEOKIPSKVNN-UHFFFAOYSA-N 347.780 0.932 50 40 ECGB CNC(=S)NNC(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C 9355880 WSAZZPBYDXTSRU-NSHDSACASA-N 326.397 0.705 50 40 ECGB COc1ccc(OCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 8919121 OBSJZPCOYKHHSI-LBPRGKRZSA-N 342.417 0.566 50 40 ECGB CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 139763 LGTYOGSTLZPWJO-KRWDZBQOSA-N 335.323 0.984 50 40 ECGB COc1ccc(/C=N/NC(=O)c2cnn(C)c2)c(C(=O)O)c1OC 36621599 PXPFYIBLMYXCHA-OMCISZLKSA-N 332.316 0.899 50 40 ECGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccncc2)cc1 199423428 GWTCIWGXYPTAHH-UHFFFAOYSA-N 342.355 0.806 50 40 ECGB Cc1ccc(S(=O)(=O)NCCNC(=O)CCl)cc1[N+](=O)[O-] 20529245 ANCSEKBWZZMHFJ-UHFFFAOYSA-N 335.769 0.537 50 40 ECGB COCCCNC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 8475532 BCQBHDWTNJPQCX-XVWDQHCBSA-N 332.194 0.710 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 252481582 COMVMLGODZGTFH-SDUWKLLGSA-N 337.315 0.759 50 40 ECGB Cc1csc(CC(=O)NNC(=O)COC(=O)c2ccc(O)cc2)n1 8524087 DSUKOOLRSFXHHL-UHFFFAOYSA-N 349.368 0.704 50 40 ECGB O=C1CCC(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)=NN1 5267595 JQGVPONJJMAVKV-UHFFFAOYSA-N 326.316 0.104 50 40 ECGB COc1ccc(C2=NO[C@@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(N)=O)[C@@H]23)cc1 100224012 HAVOHKDFGJTVTH-YWYOAKAGSA-N 332.316 0.194 50 40 ECGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccccc2F)n1 7386809 VOVKRZYXLLGQLK-UHFFFAOYSA-N 326.353 0.649 50 40 ECGB C[C@H]1C[C@H](C)/C(=N\NC(N)=O)[C@H]([C@H](O)C[C@@H]2CCC(=O)NC2=O)C1 61701338 GDXCTNPDYIIQKV-WDUHOAQKSA-N 338.408 0.497 50 40 ECGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)C1=NNC(=O)[C@@H]1C#N 102296964 XRCPBJNBDHVGNK-VDLQQMNMSA-N 349.354 0.565 50 40 ECGB CN1CCC(N(C)S(=O)(=O)c2ccc(C(=O)NN)cc2)CC1 3426732 HESZYVJOYCNVMF-UHFFFAOYSA-N 326.422 0.005 50 40 ECGB CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 8029554 KIHRDPMAXWVCLL-SKDRFNHKSA-N 340.355 0.433 50 40 ECGB Cn1cccc1C(=O)NNC(=O)[C@H]1CCCN(c2cnccn2)C1 44980255 GGUZTNATHGWORK-LBPRGKRZSA-N 328.376 0.493 50 40 ECGB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)NN)C1 260569835 SOOMFQZJCQHCMZ-VIFPVBQESA-N 331.369 0.225 50 40 ECGB O=C(NN[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)c1ccncc1 20634741 DQZJFIPJBRYXJJ-ZDUSSCGKSA-N 346.293 0.926 50 40 ECGB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN)C2)cc1OC 408556257 ZUNWWQQCPRYTSE-SNVBAGLBSA-N 343.405 0.094 50 40 ECGB O=C(NNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 48302786 CBGSDPMBWYWAMA-UHFFFAOYSA-N 340.292 0.752 50 40 ECGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 7869675 VFCKRBHEVQDJJM-BKQORJHRSA-N 331.372 0.997 50 40 ECGB COC(=O)[C@@H]1[C@@H](CBr)N1N1C(=O)c2ccccc2C1=O 4086833 SILWPUNSWZQLOD-ODLMARSHSA-N 339.145 0.818 50 40 ECGB C/C(CC(=O)NCCN1CCOCC1)=N\NC(=O)c1ccncc1 4615944 HWHPLXMPDFDEHU-CPNJWEJPSA-N 333.392 0.026 50 40 ECGB Cc1nn(C)c(C)c1C(=O)NNC(=O)COc1ccccc1C#N 40481505 JFESKDMAFFUGDQ-UHFFFAOYSA-N 327.344 0.749 50 40 ECGB CCOC(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24647049 XESZIGKKOQEMPX-SECBINFHSA-N 335.316 0.546 50 40 ECGB O=C(NNC(=O)c1cccnc1)c1ccc(N2CCOCC2)cc1 58420862 QPZJRDXGQDZLCI-UHFFFAOYSA-N 326.356 0.993 50 40 ECGB O=C(NNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)c1ccncc1 226862475 VRGKWUHPUHPNLO-UHFFFAOYSA-N 340.292 0.752 50 40 ECGB CN(CC(=O)NNC(=O)C1CCC1)C[C@H]1COc2ccccc2O1 69770219 XQSBDAZGOCTJHZ-ZDUSSCGKSA-N 333.388 0.706 50 40 ECGB N#CC(C#N)=CN1CCNC(=O)[C@@H]1CC(=O)OCCc1ccccc1 10335044 SLQUUOOUVVRCLE-INIZCTEOSA-N 338.367 0.894 50 40 ECGB C[C@H]1C[C@@H]1C(=O)NCC(=O)NNC(=O)c1cc(Br)c[nH]1 23187560 GGIAOZIBGWLHOU-XPUUQOCRSA-N 343.181 0.310 50 40 ECGB O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1cccnc1 2054810 MYNPDCUYXBYOCJ-UFWORHAWSA-N 326.312 0.690 50 40 ECGB Cn1c(=O)c2c(nc(Br)n2CCCCl)n(C)c1=O 2570362 GVVOAVOHACRAIB-UHFFFAOYSA-N 335.589 0.825 50 40 ECGB Cc1ccc(NCC(=O)NNC(=O)c2ccc(=O)n(C)n2)c(C)c1 58079403 MJIBSDHVAXPNOU-UHFFFAOYSA-N 329.360 0.270 50 40 ECGB CC(=O)OC[C@@]1(OC(=O)CC(C)C)CO[C@@H](O)[C@H]2C(C=O)=CC=C21 5440619 WBCKSAACKDSJQC-GVDBMIGSSA-N 338.356 0.908 50 40 ECGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 2351379 JSBGGNBPVGPRLX-VVSAQIQQSA-N 333.344 0.219 50 40 ECGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 59459750 GMNGWGMCTWZHLB-CXUHLZMHSA-N 338.320 0.206 50 40 ECGB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NN)c(Cl)c1 211713862 HDZTZIJNEKDIFN-UHFFFAOYSA-N 335.813 0.739 50 40 ECGB CCCc1c(C(=O)N/N=C(\C)c2ccco2)nnn1-c1nonc1N 9479224 RCUNYIZXHYIFCW-LZYBPNLTSA-N 344.335 0.932 50 40 ECGB Cc1c(C(=O)N/N=C2/CCc3ccccc32)nnn1-c1nonc1N 4462199 AONLORBKGDMLPG-BOPFTXTBSA-N 338.331 0.621 50 40 ECGB Nc1ccccc1C(=O)NN[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 101128858 ZBSUJYNKKCGZPC-OAHLLOKOSA-N 338.367 0.831 50 40 ECGB CCN1C(=O)/C(=N\NC(=O)CCC(=O)NN)c2cc(Cl)ccc21 27986315 PCANMFSCMNYFIV-UYRXBGFRSA-N 337.767 0.297 50 40 ECGB O=C(Cn1ccc(=O)[nH]c1=O)NNc1ccc(Cl)c(Cl)c1 40489534 UFKBOZJIRAZWBL-UHFFFAOYSA-N 329.143 0.987 50 40 ECGB COC(=O)COc1cccc(/C=N/NC(=O)CC2(C)OCCO2)c1 59472870 ZFZJLBUZJCWTNH-LICLKQGHSA-N 336.344 0.842 50 40 ECGB COC[C@@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1 14014521 OKTZYBXZDUOJHG-NXEZZACHSA-N 336.417 0.902 50 40 ECGB CCc1sc(C(=O)NNC(=O)CN2CCC(O)CC2)cc1C 71914536 ZSKNUSGVGUIVGM-UHFFFAOYSA-N 325.434 0.837 50 40 ECGB CC(C)c1nnc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575420604 CQKZEEBJXNQFTM-NKWVEPMBSA-N 338.842 1.187 50 40 ECGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1cccs1 25762111 PSUAIMKSKHQLOU-MKMNVTDBSA-N 332.349 0.756 50 40 ECGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N\NC(=O)CN1CCOCC1 408989443 HSDJOOUZUNLWCI-JQFNYASXSA-N 343.387 0.460 50 40 ECGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1[N+](=O)[O-] 5514439 ABMHWFPFHKKMMU-CAOOACKPSA-N 346.299 0.963 50 40 ECGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1cccnc1 12913275 XGCMVZAPLAFWGF-UHFFFAOYSA-N 342.311 0.001 50 40 ECGB COC[C@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 14014519 OKTZYBXZDUOJHG-UWVGGRQHSA-N 336.417 0.902 50 40 ECGB C/C(CC(=O)Nc1ccc(C(C)C)cc1)=N\NC(=O)C(=O)NCCO 4387214 LFUBBPJGUSPCDX-UDWIEESQSA-N 348.403 0.739 50 40 ECGB CC(C)c1c(C(=O)N/N=C/c2ccco2)nnn1-c1nonc1N 2355737 NSEJZDGYXVAWTM-GIDUJCDVSA-N 330.308 0.713 50 40 ECGB Cc1cc(C)n2nc(CC(=O)NNC(=O)c3ccncc3)nc2n1 5451632 TWCDUKDFNOZCMN-UHFFFAOYSA-N 325.332 0.140 50 40 ECGB N#CC(C#N)=C1N[C@]2(O)Nc3ccccc3[C@@]2(C(C#N)C#N)[C@H]1C#N 66088031 LHIGUMOGWZKWDT-RRQGHBQHSA-N 327.307 0.704 50 40 ECGB CN(C)C(=O)/C(C#N)=C\[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408848361 YFJDAYPSAOCWPZ-CUZBXDDWSA-N 342.380 0.589 50 40 ECGB Cc1cc(C)cc(N2CC[C@H](C(=O)NNC(=O)[C@H]3CCCO3)C2=O)c1 53508782 QSYAHDDKXXMUPJ-HUUCEWRRSA-N 345.399 0.983 50 40 ECGB O=C(COc1ccccc1)NNC(=O)C[C@H]1CCS(=O)(=O)C1 24127502 LCOXMVRKEBVDFF-LLVKDONJSA-N 326.374 0.038 50 40 ECGB CS(=O)(=O)NCC(=O)NNC(=O)Cc1cccc2ccccc12 95369480 XXSXZCVPLDTBEK-UHFFFAOYSA-N 335.385 0.079 50 40 ECGB Cn1nc(C(=O)NNC(=O)C[C@H]2CCCO2)c2ccccc2c1=O 44921226 WHKZQHPDAWUSRK-SNVBAGLBSA-N 330.344 0.264 50 40 ECGB NC(=O)N/N=C/CCO[P@](N)(=O)N(CCCl)CCCl 102211855 DDSWASMKEIRTLV-BUDAPSDHSA-N 334.144 0.894 50 40 ECGB in-vitro O=C(NNC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccncc1 1357744 LHXQXUNRXLXRKK-CYBMUJFWSA-N 326.360 0.549 50 40 ECGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)OC)cc1 58873982 ZNYXLNZACPBCMX-LICLKQGHSA-N 335.360 0.557 50 40 ECGB Cc1cc(C(=O)NNC(=O)CN2C(=O)c3ccccc3C2=O)c(C)o1 5272348 VUIFOJGRWPRMKH-UHFFFAOYSA-N 341.323 0.954 50 40 ECGB O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1ccccc1 41124991 CHIVBLMSCWLCLE-UHFFFAOYSA-N 333.325 0.744 50 40 ECGB COC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2C(=O)N[C@@]1(C)NC2=C(C#N)C#N 85409542 XKGJGQSDBLFQSR-KHSSZTOVSA-N 336.351 0.926 50 40 ECGB Cc1cc(C)n2nc(C(=O)N/N=C/c3ccc(O)cc3O)nc2n1 508256 UVTHEMSLZJEMEW-FRKPEAEDSA-N 326.316 0.916 50 40 ECGB O=C(CN1CCOCC1)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O 408993788 FUOCRIQJLIZYGS-CHHVJCJISA-N 342.739 0.736 50 40 ECGB O=C(N/N=C\c1ccccc1O)C(=O)N/N=C\c1ccccc1O 36774230 PUMOTLVCXKMSQH-XFQWXJFMSA-N 326.312 0.698 50 40 ECGB Cn1c(=O)c2c(nc3n2CCCN3CCBr)n(C)c1=O 158221 QESMZTQFUCEHFT-UHFFFAOYSA-N 342.197 0.039 50 40 ECGB O=C(N/N=C/c1cccnc1)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 6188208 LTPQUZDOIYYVTR-CAOOACKPSA-N 338.283 0.990 50 40 ECGB O=C(COc1ccc(/C=N/NC(=O)CO)cc1)NCc1ccccc1 58882218 GYIQACHVAHPSNB-RGVLZGJSSA-N 341.367 0.824 50 40 ECGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(F)cc1F 5282543 AOYWZQOQKBIQEF-MKMNVTDBSA-N 325.235 0.665 50 40 ECGB O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C/c1cccnc1 2266529 IXFMSWITMMFECL-KEBDBYFISA-N 340.339 0.733 50 40 ECGB COc1ccc(N(CC(=O)NN=C(C)C)S(C)(=O)=O)cc1OC 408771651 JXYNIFSJMNSCEK-UHFFFAOYSA-N 343.405 0.982 50 40 ECGB Cn1nc2cccc(S(=O)(=O)NNC(=O)CC(C)(C)C)c2n1 1615615138 UDRSRRPMCKYPSZ-UHFFFAOYSA-N 325.394 0.714 50 40 ECGB COc1ccccc1N/N=C1/C(=O)N(CCO)C(=O)C(C#N)=C1C 101106779 XJDFKVNYURWQLG-XMHGGMMESA-N 328.328 0.664 50 40 ECGB Cn1c(=O)c2[nH]c(/C=N\N(CCCl)CCCl)nc2n(C)c1=O 4715209 DUZYLLLADSOUKD-CHHVJCJISA-N 347.206 0.074 50 40 ECGB COc1ccc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1OC 11999341 JANCVCQSFISMIQ-UWVGGRQHSA-N 333.793 0.838 50 40 ECGB O=C(CCn1cccn1)NNC(=O)c1cc(Br)c[nH]1 44916818 SSPDEKIQKUGEKC-UHFFFAOYSA-N 326.154 0.825 50 40 ECGB CNC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1 409004734 BQWJABAILQGSNJ-UKTHLTGXSA-N 329.360 1.000 50 40 ECGB CO/N=C\C(C#N)=C/C=C\Nc1ccc(S(=O)(=O)N=C(N)N)cc1 17123764 DHEQCZLYCDBKMP-RKRQRHNDSA-N 348.388 0.656 50 40 ECGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1cccc([N+](=O)[O-])c1 101121736 IVSAJZQUZXFBNR-QGOAFFKASA-N 343.299 0.564 50 40 ECGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Nc3[nH]c(=O)[nH]c(=O)c32)c1 4942683 LNGKDZKFQOSNDW-LLVKDONJSA-N 341.327 0.332 50 40 ECGB Cn1cccc1C(=O)NNS(=O)(=O)c1cccc2nsnc12 21632913 PVBCVQQZBOGNQG-UHFFFAOYSA-N 337.386 0.653 50 40 ECGB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)CC#N)C2=O)cc1C 408535492 SWQNERMIHIRLGO-XYOKQWHBSA-N 341.327 0.305 50 40 ECGB O=C(N/N=C1\C(=O)Nc2ccccc21)N/N=C1/C(=O)Nc2ccccc21 6536094 PWNGLFHOIXYHMH-UHFFFAOYSA-N 348.322 0.998 50 40 ECGB O=C[C@@H](Br)P(=O)(N1CCOCC1)N1CCOCC1 500953 KNCFQXHOZHPNFY-JTQLQIEISA-N 341.142 0.764 50 40 ECGB O=C(CCl)OCCN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 217384211 CXFUDSYPYKNHKB-MRVPVSSYSA-N 332.205 0.023 50 40 ECGB CC(C)(CNC(=O)NNC(=O)c1ccc(F)cc1)N1CCOCC1 32794832 ZIXZOAIAPLLFLZ-UHFFFAOYSA-N 338.383 0.881 50 40 ECGB COc1cc(C(=O)NNC(=O)CCCC(=O)O)cc(OC)c1OC 2774585 MXLXLXVXCKGQEW-UHFFFAOYSA-N 340.332 0.728 50 40 ECGB CCOc1ccccc1OCC(=O)NNC(=O)c1nccnc1N 21302141 RSTGFVKNCYIKSW-UHFFFAOYSA-N 331.332 0.298 50 40 ECGB Cc1c(C(=O)N/N=C/c2cccc(Cl)c2)nnn1-c1nonc1N 138288 PKZQRUCRFKFJPW-OMCISZLKSA-N 346.738 0.958 50 40 ECGB C=CCN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccccc2O)C1=O 38173177 UAOJFKLBPULDGQ-NTMALXAHSA-N 330.300 0.615 50 40 ECGB COC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NC(C)C)cc1 58872927 ZHENETOHBNFNIO-MFOYZWKCSA-N 335.360 0.603 50 40 ECGB Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NC(=O)CCl)cc21 408528952 GMEXKQDCWKOFFZ-UHFFFAOYSA-N 338.795 0.891 50 40 ECGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1Cc2ccccc2O1 12847084 UKCCNJXBPSCHMA-HZPDHXFCSA-N 340.335 0.978 50 40 ECGB O=C(CNc1cccc2ccccc12)NN=C1C(=O)NC(=O)NC1=O 6475357 XZGRRHBEUMXJGZ-UHFFFAOYSA-N 339.311 0.090 50 40 ECGB COc1ccc2cc(C(=O)NNC(N)=S)sc(=O)c2c1OC 2438359 VMWXKCVRXTUVIQ-UHFFFAOYSA-N 339.398 0.757 50 40 ECGB CCOC(=O)C(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O 5791801 WJRICBIRHCITCM-UHFFFAOYSA-N 347.327 0.051 50 40 ECGB Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CCl)CC2)cc1 25426970 HGDPOJHMZBWQGY-ZDUSSCGKSA-N 332.853 0.901 50 40 ECGB CCc1c(C)[nH]c(SCC(=O)NNC(=O)c2ccco2)nc1=O 5877129 HEWURWGLWMBDFR-UHFFFAOYSA-N 336.373 0.787 50 40 ECGB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)cc1 408559721 XWGPBQAKJHLJBX-NSHDSACASA-N 327.406 0.476 50 40 ECGB COc1cccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)c1 32115814 KNEZRUJONXAACZ-UHFFFAOYSA-N 335.385 0.880 50 40 ECGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(F)cc1)C(C#N)=C(N)N2 409092677 WBQQNQUUCBTFQW-LLVKDONJSA-N 327.319 0.474 50 40 ECGB O=C(N/N=C/c1ccccc1O)C(=O)N/N=C/c1ccccc1O 1684448 PUMOTLVCXKMSQH-BEQMOXJMSA-N 326.312 0.698 50 40 ECGB aggregator CC(=O)N1C(=O)[C@@]2(C(=O)N(C(C)=O)C(N)=C2C#N)[C@]2(C)CCCC=C12 96336625 OWNMIOKIFHIOJB-SJORKVTESA-N 342.355 0.518 50 40 ECGB COc1cc(C(=O)NNC(=O)CCNC(C)=O)ccc1OC(C)C 8235717 RLQCUMHZZURTFU-UHFFFAOYSA-N 337.376 0.770 50 40 ECGB CS(=O)(=O)N(CC(=O)NN)Cc1ccc(Br)cc1 408614222 ZWLGOWKIWMJSIU-UHFFFAOYSA-N 336.211 0.201 50 40 ECGB C/C(=N/NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1ccc(Cl)cc1 95661347 RXSGDNXGWDURDS-IUXPMGMMSA-N 335.751 0.585 50 40 ECGB O=C(CCl)OCCN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 217384285 CXFUDSYPYKNHKB-QMMMGPOBSA-N 332.205 0.023 50 40 ECGB COc1cccc(N(C(=O)CCl)[C@H]2CS(=O)(=O)C[C@H]2O)c1 40177671 SLHOGXXRCOKLNB-NWDGAFQWSA-N 333.793 0.425 50 40 ECGB COc1ccc(C(=O)NN)cc1S(=O)(=O)NC1CCCCC1 8475732 GAKXUTBLAQRKJL-UHFFFAOYSA-N 327.406 0.910 50 40 ECGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccccc1C(=O)O 59444330 RFWBUMNSCCZGOW-VXLYETTFSA-N 326.312 0.546 50 40 ECGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccncc2)cc1 223160317 MJFXKKFZLSLNNA-ZDLGFXPLSA-N 326.312 0.957 50 40 ECGB COc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)cc1 380013 MVQAEIMBQSSDQE-UHFFFAOYSA-N 349.412 0.876 50 40 ECGB Cc1cc(=O)n2ncnc2n1CC(=O)NNC(=O)Nc1ccccc1 2585212 ZWFYNFJQPYHWJA-UHFFFAOYSA-N 341.331 0.052 50 40 ECGB C[C@H](Oc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1)C(=O)O 59679341 FAXDFPDBPGOIHD-VAKHEIKFSA-N 335.360 0.321 50 40 ECGB CN1CC[N+]2(CC1)C[C@](C)(O)C[C@H]2CI 160470 RMUYGKURLCGPPK-WDEREUQCSA-N 325.214 0.707 50 40 ECGB COCc1c(C(=O)N/N=C/c2ccccc2)nnn1-c1nonc1N 63605 GQIOOKMWQSLFTR-FRKPEAEDSA-N 342.319 0.143 50 40 ECGB Cn1nc(C(=O)NNC(=O)CCc2ccco2)c2ccccc2c1=O 40457613 FPXLFQHZKJJDGH-UHFFFAOYSA-N 340.339 0.920 50 40 ECGB C/C(Cn1nnc2ccccc21)=N\NC(=O)c1n[nH]cc1[N+](=O)[O-] 22002087 FRJVQRFRUWYVLP-OVCLIPMQSA-N 328.292 0.869 50 40 ECGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1 5586667 AUXGDHGAPRSFOC-RGVLZGJSSA-N 340.339 0.635 50 40 ECGB O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccncc1 3107271 TZWFGKAQNXGJGG-UHFFFAOYSA-N 338.323 0.529 50 40 ECGB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)NN)cc2)CC1 408610043 UPKMMKLWYNBAEZ-UHFFFAOYSA-N 327.406 0.476 50 40 ECGB C=CCNC(=S)NNC(=O)COc1cc(C)nc(SC)n1 3130342 FOOICYPZZDWZGG-UHFFFAOYSA-N 327.435 0.567 50 40 ECGB Cc1cccc(C(=O)NNC(=O)c2cccc(S(C)(=O)=O)c2)n1 27148797 NHBZJGAFWUOQHV-UHFFFAOYSA-N 333.369 0.868 50 40 ECGB CC[C@H](Br)C(=O)NNC1=NS(=O)(=O)c2ccccc21 4524156 MMUTXCVREKIMHY-QMMMGPOBSA-N 346.206 0.930 50 40 ECGB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCCO1 84409401 YWAIGJCRTQTBJX-WDEREUQCSA-N 329.397 0.862 50 40 ECGB CC(C)(C)NC[C@@H](O)COc1cccc2[nH]cc(CC(=O)NN)c12 5478641 GZIJUYIRVIYMFF-GFCCVEGCSA-N 334.420 0.828 50 40 ECGB C[C@H](Sc1n[nH]c(N)n1)C(=O)NNC(=O)c1cccc(Cl)c1 8923603 XOYHMCPUQYQKJE-LURJTMIESA-N 340.796 0.982 50 40 ECGB O=C(CCl)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12504851 GLHQXTDSKLYAQX-UHFFFAOYSA-N 347.780 0.667 50 40 ECGB in-vitro NC(=O)N/N=C/CCO[P@@](N)(=O)N(CCCl)CCCl 97978425 DDSWASMKEIRTLV-OTXMLYQMSA-N 334.144 0.894 50 40 ECGB in-vitro O=C(NNC(=S)NC[C@@H]1CCCO1)[C@@H]1COc2ccccc2O1 7989692 ADDLSAWLVPECCS-GWCFXTLKSA-N 337.401 0.501 50 40 ECGB CCOC(=O)CCC(=O)NNC(=O)CCC(=O)Nc1ccccc1 4589418 RHNVLFJVARWITE-UHFFFAOYSA-N 335.360 0.896 50 40 ECGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(F)cc2)n1 7386789 UFQNCGYNEVYWDA-UHFFFAOYSA-N 326.353 0.649 50 40 ECGB COc1cccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)c1 409082622 SAYOCNRZSWUXOP-LBPRGKRZSA-N 339.355 0.344 50 40 ECGB C[C@@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)n1cncn1 29758945 RPYBLONKCAIMTC-LURJTMIESA-N 327.142 0.391 50 40 ECGB C[C@H](C(=O)NNC(=O)C1CC1)N1CCN(c2ccc(F)cc2)CC1 70014480 STWDRBCVGZGRJW-GFCCVEGCSA-N 334.395 0.894 50 40 ECGB O=C(NN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)c1ccncc1 477667 WFSXAROMEROYFA-CYBMUJFWSA-N 328.303 0.787 50 40 ECGB Cc1n[nH]cc1C(=O)NNC(=O)CN1C(=O)CSc2ccccc21 71893122 RYMLAHKILRMZMG-UHFFFAOYSA-N 345.384 0.618 50 40 ECGB NNC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 408528697 GXGCSIPMTVMXNG-UHFFFAOYSA-N 347.396 0.807 50 40 ECGB CC[C@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)CBr 35605108 JYSBBRBUETVZBC-DTWKUNHWSA-N 335.198 0.440 50 40 ECGB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1cccnc1 35686020 GJLKVALZHWVNFX-UHFFFAOYSA-N 336.329 0.922 50 40 ECGB COc1cc(C(=O)NCC(=O)NNC(C)C)cc(OC)c1OC 1671099 ZXFWUIXPQRAUPU-UHFFFAOYSA-N 325.365 0.471 50 40 ECGB CCNC(=S)NNC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1 7990710 LHOJWLNYNNIKRN-JTQLQIEISA-N 343.840 0.955 50 40 ECGB CC(=O)OCC1=C(COC(C)=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C(=O)OC(=O)[C@H]34)[C@@H]12 101045132 JGSFOWGOKVEOQX-ZAXXHLPPSA-N 346.335 0.787 50 40 ECGB NNC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 4677625 AIVJENWRRMBFEF-UHFFFAOYSA-N 336.329 0.999 50 40 ECGB CN1C(=O)C[C@H](NNC(=O)c2ccc(Br)cc2)C1=O 100821774 FLESXQPHPVHKMZ-VIFPVBQESA-N 326.150 0.441 50 40 ECGB COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(OC)c1OC 4699403 CUQAWQVWPSMKHG-GIJQJNRQSA-N 337.376 0.935 50 40 ECGB NNC(=O)[C@@H]1CC(=O)N(c2cccc(I)c2)C1 216873424 CPZLCGDEXRHCKR-SSDOTTSWSA-N 345.140 0.634 50 40 ECGB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)c1ccccc1F 12532813 DFSGSONFKLZHQQ-QWRGUYRKSA-N 345.330 0.538 50 40 ECGB NC(=O)N/N=C\c1cn(C[C@H](O)CN2CCOCC2)c2ccccc12 19891704 HJXIBCKXCSJUSV-NGMPYOPUSA-N 345.403 0.337 50 40 ECGB C[C@@H](NC(N)=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 32971050 OUSNRCWLDDWNHF-SSDOTTSWSA-N 348.281 0.288 50 40 ECGB O=C(NN[C@@H]1CC(=O)N(c2cccc(F)c2)C1=O)c1ccccn1 1441528 YQIXLGYPKHUXNT-CYBMUJFWSA-N 328.303 0.787 50 40 ECGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H](N2C(=O)CCC2=O)[C@H]1Br 104073693 MBWCUAKFJQZPGF-MXLMMNQCSA-N 342.145 0.233 50 40 ECGB CCCCN1C(=O)/C(=C\NNC(=O)c2ccccc2O)C(=O)N=C1O 16945297 CTMZKXPQYMAMDZ-LUAWRHEFSA-N 346.343 0.593 50 40 ECGB CC(=O)N[C@@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)C(C)C 8349056 BIMWCWHULUPAEM-MRXNPFEDSA-N 335.404 0.990 50 40 ECGB O=C(CNC(=O)c1ccncc1)N/N=C/c1ccc([N+](=O)[O-])cc1 1952854 OXNXLPYVAPBURT-GIJQJNRQSA-N 327.300 0.870 50 40 ECGB O=C(CN1CCOCC1)N/N=C/c1cccc(OC2CSC2)c1 19880333 ZELZWGBMYZSVCJ-RQZCQDPDSA-N 335.429 0.963 50 40 ECGB COc1cccc(/C=N/NC(=O)CNC(=O)c2cccnc2)c1O 2280173 CHQUHSHJFVPSMM-DJKKODMXSA-N 328.328 0.676 50 40 ECGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1 4525714 ZQTPWWHKHSVRGA-RQZCQDPDSA-N 335.360 0.603 50 40 ECGB NC(=O)NNC(=O)COCC(=O)Nc1cccc(Cl)c1Cl 4681174 CDPIPBXXUQLUQW-UHFFFAOYSA-N 335.147 0.648 50 40 ECGB COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 157757275 QRVYAJSLUBOLDY-GHMZBOCLSA-N 339.822 0.378 50 40 ECGB CC(C)N(CCCl)/N=N\c1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 104368813 ZIYITXDRBRKKOY-MSUUIHNZSA-N 327.776 0.908 50 40 ECGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc([N+](=O)[O-])o1 3577121 OZTXANMWCGLSTJ-OVCLIPMQSA-N 341.287 0.992 50 40 ECGB C/C(=N\NC(=O)Cc1cccn1C)c1ccc(OCC(N)=O)cc1 4507154 ULRXOAMGVHJDFU-XDHOZWIPSA-N 328.372 0.972 50 40 ECGB Cn1cccc1CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12 3362857 WVFMNVYQGIHULT-UHFFFAOYSA-N 325.328 0.265 50 40 ECGB CCN1C(=O)/C(=C/NNC(=O)c2ccccc2O)C(O)=NC1=S 4812767 QACXDEVCBKCTQN-VQHVLOKHSA-N 334.357 0.614 50 40 ECGB COCc1cc(C)n(CC(=O)NN=C2CCN(C)CC2)c(=O)c1C#N 66345822 CJLYOECOSJFPKD-UHFFFAOYSA-N 345.403 0.373 50 40 ECGB CCc1n[nH]c(C(=O)NNS(=O)(=O)c2cnn(CC)c2)c1C 71281295 SSFFTOXOPINFBF-UHFFFAOYSA-N 326.382 0.120 50 40 ECGB COc1ccc(C(=O)CN[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1OC 575421268 HOKBRRYKJHMTOR-QWRGUYRKSA-N 347.820 0.881 50 40 ECGB N#CCC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 28214279 VGWWLKFWCGSLQB-IXJMWADBSA-N 344.371 0.724 50 40 ECGB CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc2c(c1)CCC2 7726032 KEQGUKXBMBEYIQ-UHFFFAOYSA-N 325.390 0.009 50 40 ECGB O=C1CCc2cc(S(=O)(=O)NNC(=O)c3ccco3)ccc2N1 12893425 WNRYRDBJASRBCT-UHFFFAOYSA-N 335.341 0.788 50 40 ECGB NC(=O)NCCCC(=O)NNC(=O)c1ccc(Br)cc1 7990071 NTCKZXDYCRPOQT-UHFFFAOYSA-N 343.181 0.659 50 40 ECGB COc1ccc(C(=O)NC(=S)NNC(=O)c2cnccn2)cc1 4689872 GPZSWRSLVKGCCV-UHFFFAOYSA-N 331.357 0.435 50 40 ECGB Cc1c(NC(=O)CCC(=O)NN(C)C)c(=O)n(-c2ccccc2)n1C 3107312 BYVWKBJDDSUEBS-UHFFFAOYSA-N 345.403 0.796 50 40 ECGB COc1cccc(C(=O)NCC(=O)OCC(=O)/C(C#N)=C(\C)N)c1 6312134 WFGLXPWCQMJDGU-JLHYYAGUSA-N 331.328 0.294 50 40 ECGB CCCCN1C(=O)N=C(O)/C(=C\NNC(=O)c2ccncc2)C1=O 2298206 ZSDUAIVCWWQIJN-PKNBQFBNSA-N 331.332 0.919 50 40 ECGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 59959710 GNGVOOBJTXUAKJ-VXLYETTFSA-N 346.387 0.450 50 40 ECGB COc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100219932 UKUTXWBENUBYSL-VTPLQMEGSA-N 330.340 0.979 50 40 ECGB CCOC(=O)c1c(NNC(=O)c2ccccc2)nn(C(N)=O)c1N 6463804 HOVUHUHVXFIEBV-UHFFFAOYSA-N 332.320 0.326 50 40 ECGB O=C(NNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cnccn1 44979650 LPFOULSALRDCEQ-LBPRGKRZSA-N 346.391 0.165 50 40 ECGB COC(=O)COc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 408864170 XAZNXPWCNFHNST-LICLKQGHSA-N 336.344 0.842 50 40 ECGB CC(C)N(CCCl)/N=N/c1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 16990217 ZIYITXDRBRKKOY-WUKNDPDISA-N 327.776 0.908 50 40 ECGB Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)CCl)CC2)cc1 25426973 HGDPOJHMZBWQGY-CYBMUJFWSA-N 332.853 0.901 50 40 ECGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(O)c(O)c1 6670022 AKGKXELYGYEJGL-ZDUSSCGKSA-N 328.280 0.761 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 252492750 MVBUHHXZVIRTQW-GIDUJCDVSA-N 337.315 0.858 50 40 ECGB O=C(NCc1nc2ccccc2[nH]1)N[C@H]1CS(=O)(=O)C[C@H]1Cl 575421705 LJUPVTSDYBPIDD-KCJUWKMLSA-N 342.808 0.767 50 40 ECGB C[C@H](Cl)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 158215 ZBSGWLNJPXFARW-YFKPBYRVSA-N 335.589 0.824 50 40 ECGB COc1ccc(C(=O)NN)cc1S(=O)(=O)NCCc1ccccc1 223469430 FTBLUPDICBWQAM-UHFFFAOYSA-N 349.412 0.820 50 40 ECGB O=C(COC(=O)C1=COCCO1)NNC(=O)c1ccc(Cl)cc1 3536373 YSVOOPPYTZXMFQ-UHFFFAOYSA-N 340.719 0.532 50 40 ECGB CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)Cl)c(=O)[nH]c1=O 20280792 QJURTIXRLMYSMZ-SECBINFHSA-N 346.815 0.526 50 40 ECGB in-vitro COc1cccc(/C=N/NC(=O)C(=O)NCc2ccncc2)c1OC 59433903 TVDXOGODGFFPOF-RGVLZGJSSA-N 342.355 0.865 50 40 ECGB COc1cccc(NC(=O)C(=O)[C@@H](C(=O)NN)c2ccccc2)c1 104975378 HGJXCZRFXXEDGH-AWEZNQCLSA-N 327.340 0.977 50 40 ECGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2cccnc2)ccc1O 37868839 SZFNAVUDFZIQHN-RGVLZGJSSA-N 342.355 0.952 50 40 ECGB O=S1(=O)C[C@H](Cl)[C@H](S[C@@H]2CS(=O)(=O)C[C@H]2Cl)C1 5003595 QILPMJSGBSRGJX-ULAWRXDQSA-N 339.287 0.528 50 40 ECGB COCCCNC(=O)CC(=O)N/N=C/c1ccc(C(=O)OC)cc1 5511654 WXESGCXJYCQFOS-WOJGMQOQSA-N 335.360 0.466 50 40 ECGB C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)C(C)C)cc1 21903839 ZFPNCQCKUDHLRR-UHFFFAOYSA-N 325.390 0.568 50 40 ECGB COc1ccc(C2=NO[C@@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(N)=O)[C@H]23)cc1 100224006 HAVOHKDFGJTVTH-DCTXOUJNSA-N 332.316 0.194 50 40 ECGB O=C(NNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cnccn1 44979647 LPFOULSALRDCEQ-GFCCVEGCSA-N 346.391 0.165 50 40 ECGB COc1ccc(C(=O)NNC(=O)c2cnn(C)c2)c(C(=O)O)c1OC 71784907 QIDQTECMPAQQKJ-UHFFFAOYSA-N 348.315 0.210 50 40 ECGB Cc1nn([C@@H](C)C(=O)N/N=C/c2c(C)nn(C)c2F)cc1[N+](=O)[O-] 252478683 ASFNAQWNUBUUBS-XDDINVHESA-N 337.315 0.992 50 40 ECGB C/C(=N\NC(=O)c1cccnc1)c1nnn(-c2nonc2N)c1C 8826581 SIEVSHLBDITTKF-FRKPEAEDSA-N 327.308 0.090 50 40 ECGB COc1ccc(Cl)cc1C(=O)NNC(=O)CCCNC(N)=O 7988555 PUDAOLZRJLKDPL-UHFFFAOYSA-N 328.756 0.558 50 40 ECGB O=C(Cn1nnc(N2CCCCC2)n1)N/N=C/c1ccccc1O 1587246 FXWLLZNXUYHGFZ-MHWRWJLKSA-N 329.364 0.519 50 40 ECGB CCCOc1ccc(C(=O)N/N=C/c2c(C)[nH]c(=O)[nH]c2=O)cc1 1864134 MWSDYAZKDGPWQF-RQZCQDPDSA-N 330.344 0.924 50 40 ECGB C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14185586 FCKQZMGYTVONOD-CABZTGNLSA-N 325.390 0.354 50 40 ECGB CCCCOc1ccc(/C=N/NC(=O)Cc2n[nH]c(=O)[nH]c2=O)cc1 1747339 NDUOKFVCGRSFSY-LICLKQGHSA-N 345.359 0.330 50 40 ECGB Nc1cc(N)nc(SCC(=O)NNC(=O)Cc2ccccc2)n1 4126957 JNSIUWSKJZOEMU-UHFFFAOYSA-N 332.389 0.123 50 40 ECGB CCc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1 19831271 PRKDWUGMAIFIPL-XSFVSMFZSA-N 346.431 0.538 50 40 ECGB CC(=O)OC[C@]1(OC(=O)CC(C)C)CO[C@H](O)[C@H]2C(C=O)=CC=C21 5440620 WBCKSAACKDSJQC-ULQDDVLXSA-N 338.356 0.908 50 40 ECGB biogenic C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 58873400 MBMGBODUXVZCPT-VXLYETTFSA-N 346.387 0.342 50 40 ECGB Cn1c(=O)sc2cc(S(=O)(=O)NNC(=O)C(C)(C)C)ccc21 585136618 NEJIFRAWFXSBQY-UHFFFAOYSA-N 343.430 0.956 50 40 ECGB N[C@@H](CSSC[C@@H](NC(=O)c1ccccc1)C(=O)O)C(=O)O 1581115 VCMITNDKIAKQSE-VHSXEESVSA-N 344.414 0.663 50 40 ECGB O=C(N/N=C/c1sc(=O)[nH]c1-[n+]1ccccc1)c1cccnc1 13739421 BHKXKDJSPZABNQ-UHFFFAOYSA-O 326.361 0.872 50 40 ECGB O=C(CN1CCOCC1)N/N=C/c1ccc(O)c(Br)c1 19419551 YCILXJUIEUBLJS-OVCLIPMQSA-N 342.193 0.937 50 40 ECGB CCOc1cc(C(=O)NCC(=O)NN)cc(OCC)c1OCC 2451348 HBDBCBQDSQWWQA-UHFFFAOYSA-N 325.365 0.602 50 40 ECGB COC(=O)c1ccccc1NC(=O)C(=O)NNC(=O)c1ccncc1 1630195 SIFIASVMCYKANM-UHFFFAOYSA-N 342.311 0.268 50 40 ECGB NC(=O)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408742107 PJPAVDRPDFBLIE-PDMWYYABSA-N 339.764 0.358 50 40 ECGB NS(=O)(=O)c1ccc(NNC(=O)c2ncccc2C(=O)O)cc1 5891191 LDJZEOFRKYODQA-UHFFFAOYSA-N 336.329 0.184 50 40 ECGB Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1C 157763930 DTQFYRVGKSJORJ-NEPJUHHUSA-N 337.850 0.986 50 40 ECGB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CCl)CC1 7461568 LYTBIOWJITZZSF-UHFFFAOYSA-N 331.825 0.946 50 40 ECGB CC(C)CC[C@](CCC(=O)NN)(C(=O)NN)c1csc(N)n1 2334327 RWWJNWHRMJOWMD-CYBMUJFWSA-N 328.442 0.159 50 40 ECGB NCCCCCCNC(=S)N[C@H]1CS(=O)(=O)C[C@H]1Cl 40167858 ZBEUFSGONMVSQH-ZJUUUORDSA-N 327.903 0.374 50 40 ECGB Cc1cc(N(C)C)cc(C)c1CC(=O)NNC(=O)C(=O)NC(C)C 585135541 PRABBNUHRGBTKG-UHFFFAOYSA-N 334.420 0.584 50 40 ECGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccco2)cc1 9882487 LZCNKMPFHNIXKA-UHFFFAOYSA-N 337.357 0.605 50 40 ECGB Cn1c(CN/C=C(\C#N)C(=O)Nc2ccccc2)cc(=O)n(C)c1=O 97514880 NPWMBKLNJBQVHI-ZRDIBKRKSA-N 339.355 0.220 50 40 ECGB C#CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1OC 408994564 IAVFXFRSPNWOKT-PDGQHHTCSA-N 331.372 0.490 50 40 ECGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(CO)nc1 32104624 MEAXDWMZIBAXAC-UBKPWBPPSA-N 344.283 0.975 50 40 ECGB COc1ccc(/C=N/NC(=O)Cc2cc(O)n[nH]2)c(OC)c1OC 548913 FDSMTBYRXUSZSA-LZYBPNLTSA-N 334.332 0.834 50 40 ECGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 869523 HYFMXKGGHHSECO-UHFFFAOYSA-N 337.313 0.924 50 40 ECGB O=C(Cc1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O 2283872 MXBWTRPFDFAAPR-VXLYETTFSA-N 327.340 0.907 50 40 ECGB COc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409386487 LVDDSOZOQHJOSM-KOFHJDLBSA-N 346.339 0.501 50 40 ECGB CCOC(=O)C(C(=O)OCC)N(C)S(=O)(=O)CBr 585114471 CILGKSXHGOAKJR-UHFFFAOYSA-N 346.199 0.095 50 40 ECGB Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1C 157763467 DTQFYRVGKSJORJ-NWDGAFQWSA-N 337.850 0.986 50 40 ECGB CC1=C(n2nnc([N+](=O)[O-])n2)[C@@H](c2cccnc2)C(C#N)=C(N)O1 8442537 XUOGZDUYWLQACW-JTQLQIEISA-N 326.276 0.673 50 40 ECGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 41091362 WIFWAEBWEYVQEE-UHFFFAOYSA-N 346.368 0.788 50 40 ECGB O=C(Cc1nnc(NC(=O)c2nnc[nH]2)s1)N/N=C/c1ccco1 108173605 YBQANGJLXYPSQZ-LHHJGKSTSA-N 346.332 0.194 50 40 ECGB COc1ccc(C(=O)CN[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1OC 575421267 HOKBRRYKJHMTOR-MNOVXSKESA-N 347.820 0.881 50 40 ECGB C[C@@H]1C[C@H]1C(=O)NCC(=O)NNC(=O)c1cc(Br)c[nH]1 23187562 GGIAOZIBGWLHOU-HTRCEHHLSA-N 343.181 0.310 50 40 ECGB COc1ccc([C@@H]2C(C#N)=C(N)NC(=S)[C@H]2C(N)=O)c(OC)c1 3771962 XRYZWMKNMZHNKI-VXGBXAGGSA-N 332.385 0.513 50 40 ECGB O=C(N/N=C/c1cccc(Br)c1)c1c[nH]c(=O)[nH]c1=O 28196 NZRIQRIVOJUTHP-PJQLUOCWSA-N 337.133 0.590 50 40 ECGB CCn1c(NNC(=O)C2=NN(C)C(=O)CC2)nc2ccccc2c1=O 8988454 ILWCKMFXOLRRKQ-UHFFFAOYSA-N 342.359 0.468 50 40 ECGB CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CBr 35605044 PVYFGNZJHWIUOM-VIFPVBQESA-N 335.198 0.442 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)Cn1cc(Br)cn1 252508520 XOMDTYLEOSEYMK-LNKIKWGQSA-N 343.160 0.977 50 40 ECGB Cc1sc([C@@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1[N+](=O)[O-] 12372426 CXJVDCUWPNQJKI-QMMMGPOBSA-N 347.312 0.560 50 40 ECGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1O[C@H]2[C@@H](Br)[C@H]1Br 101151711 OCPGECKNMMXUPB-ADOSBGCESA-N 325.940 0.610 50 40 ECGB CC(C)(C)c1ccc(C(=O)NNC(=O)CN2CCNC(=O)CC2)cc1 9316787 MZEFZKFZPODTHH-UHFFFAOYSA-N 346.431 0.567 50 40 ECGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1ccccc1 20207288 IUSYLGOHOOPHBP-GZTJUZNOSA-N 332.385 0.998 50 40 ECGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 281047 VRCAOQJDGLLMKJ-NSHDSACASA-N 344.758 0.956 50 40 ECGB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)cc1Cl 6646976 UYLBYASBCKAKSX-VIFPVBQESA-N 347.824 0.739 50 40 ECGB CC(=O)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 521445 IVFGUNXXTOBRMD-VCHYOVAHSA-N 328.372 0.970 50 40 ECGB CC(=O)NC(C(=O)NNc1ccccc1)C(=O)NNc1ccccc1 3101452 UATWPEKIGJYTIS-UHFFFAOYSA-N 341.371 0.778 50 40 ECGB O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1cccnc1O 15518729 CXDVJTPENOYXMO-UHFFFAOYSA-N 329.238 0.464 50 40 ECGB O=C(NN[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)c1cccnc1 20634736 HTGSJBOCACDGKO-ZDUSSCGKSA-N 346.293 0.926 50 40 ECGB NNC(=O)CNC(=O)NNC(=O)N(c1ccccc1)c1ccccc1 2156408 WWERQHWOSHBYCK-UHFFFAOYSA-N 342.359 0.738 50 40 ECGB COc1cccc(/C=N/NC(=O)C(=O)NCc2cccnc2)c1O 17433666 VJOBWYJYCQAWAG-VXLYETTFSA-N 328.328 0.562 50 40 ECGB C[C@@H](Cl)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 158216 ZBSGWLNJPXFARW-RXMQYKEDSA-N 335.589 0.824 50 40 ECGB O=C(C[C@H]1CCS(=O)(=O)C1)NN=Cc1cccc([N+](=O)[O-])c1 1745073 LWOYSUJWMCVENS-LLVKDONJSA-N 325.346 0.870 50 40 ECGB CC(=O)NNC(=O)CN1CCN(C(=O)C(C)(C)c2ccccc2)CC1 29694107 MSSNKJRRHGTYQV-UHFFFAOYSA-N 346.431 0.276 50 40 ECGB COc1ccc(OC)c(N(CC(=O)NN=C(C)C)S(C)(=O)=O)c1 408775994 LZPRFMHPMKPORI-UHFFFAOYSA-N 343.405 0.982 50 40 ECGB Nc1nnc(SCC(=O)NNC(=O)c2ccccc2F)s1 7976612 SNOBUHAMOSFPQA-UHFFFAOYSA-N 327.366 0.813 50 40 ECGB Cc1cc(C)n2nc(C(=O)N/N=C\c3ccc(O)cc3O)nc2n1 58983309 UVTHEMSLZJEMEW-APSNUPSMSA-N 326.316 0.916 50 40 ECGB COc1cc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)ccc1O 59596756 PFVYTVAPBHFLAC-OMCISZLKSA-N 333.304 0.964 50 40 ECGB CCOC(=O)[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1C(=O)NN 2243948 SUGJHUKBAKPJNA-HBNTYKKESA-N 325.752 0.694 50 40 ECGB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)cc1C 408555841 GWIJPLZWBDOVOT-LBPRGKRZSA-N 341.433 0.784 50 40 ECGB C[C@H]1C[C@@H](C)C[C@@H]([C@H](O)C[C@@H]2CCC(=O)NC2=O)/C1=N/NC(N)=O 61701336 GDXCTNPDYIIQKV-OTMJQFMHSA-N 338.408 0.497 50 40 ECGB COc1cccc(N(C(=O)CCl)[C@H]2CS(=O)(=O)C[C@@H]2O)c1 40177669 SLHOGXXRCOKLNB-RYUDHWBXSA-N 333.793 0.425 50 40 ECGB Cn1cc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n1 2741729 YAMZTQXDCATGMY-UHFFFAOYSA-N 334.248 0.311 50 40 ECGB NS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 23200372 HCPIOKXXPMKCSB-UHFFFAOYSA-N 333.369 0.338 50 40 ECGB Cc1cc(C)n2nc(CC(=O)NNC(=O)c3ccc(F)cc3)nc2n1 6662855 CRSCAYAVZDRGQV-UHFFFAOYSA-N 342.334 0.884 50 40 ECGB CN1C(=O)[C@@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2ccccc21 72405451 MRLRANBLAYTLIR-GOSISDBHSA-N 336.351 0.787 50 40 ECGB Cc1cccc(C(=O)NCC(=O)NNc2ncnc(N)c2[N+](=O)[O-])c1 3912699 PDQQVDVSGXDWJS-UHFFFAOYSA-N 345.319 0.149 50 40 ECGB COC(=O)c1sccc1S(=O)(=O)NNC(=O)c1ccco1 12624094 BUVGLDFKFCPOKT-UHFFFAOYSA-N 330.343 0.751 50 40 ECGB COc1ccc(S(=O)(=O)NNC(=O)Cn2nc(C)cc2C)cc1 7386786 KOYQUFOAQYDGKU-UHFFFAOYSA-N 338.389 0.518 50 40 ECGB Cc1nn(CCC(=O)N/N=C/c2c(C)nn(C)c2F)cc1[N+](=O)[O-] 252509597 YRAUYOTYPIYQNR-GIDUJCDVSA-N 337.315 0.821 50 40 ECGB COCCC1(C(=O)NNC(=O)[C@H]2C(=O)Nc3ccccc3C2=O)CC1 585087742 MNMFFBHMYDAIGH-GFCCVEGCSA-N 345.355 0.402 50 40 ECGB Cc1cccc(C(=O)NNC(=O)CSc2nnnn2C2CC2)c1 12794347 VLZMPHGTKJMKDT-UHFFFAOYSA-N 332.389 0.870 50 40 ECGB N#Cc1ccccc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 12971326 YUSVJXHFEXJWJO-UHFFFAOYSA-N 345.336 0.910 50 40 ECGB COC(=O)/C(C#N)=C/c1cc(C[S@](=O)c2nnnn2C)cs1 66089499 MSNIYIARHWCJAQ-LQPWBEKMSA-N 337.386 0.659 50 40 ECGB CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc1 255045 ZXKZQBCIUUGNJC-CAOOACKPSA-N 340.347 0.867 50 40 ECGB COc1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1S(=O)(=O)O 1847192 FJXOYCNGBMCZLA-RIYZIHGNSA-O 330.386 0.098 50 40 ECGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3nc(=O)[nH]c(O)c32)cc1OC 493934 QGXNUGHUBLXPPH-LLVKDONJSA-N 342.311 0.711 50 40 ECGB COc1ccc(C(=O)NN)cc1S(=O)(=O)NCc1ccccc1 8476179 IOCZUIYLCKRWNY-UHFFFAOYSA-N 335.385 0.777 50 40 ECGB O=C(NNC(=O)c1csc(N2CCOCC2)n1)NC1CCCC1 14201156 RMIYNZBWYZBYCY-UHFFFAOYSA-N 339.421 0.866 50 40 ECGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1C 4517145 QTZMKAAWYXBZFK-IBGZPJMESA-N 349.346 0.933 50 40 ECGB Cc1nn(Cn2nc(C(=O)NN)cc2C)c(C)c1Br 62701469 TWWCIZMJMCHTDE-UHFFFAOYSA-N 327.186 0.877 50 40 ECGB CC1(C)OC(=O)C2=C1NC(N)=C(C#N)[C@@]21C(=O)Nc2ccc(F)cc21 72404797 HVJHPIBHURBIQR-QGZVFWFLSA-N 340.314 0.902 50 40 ECGB O=C(N/N=C/c1cccc(O)c1)C(=O)N/N=C/c1cccc(O)c1 1686335 HEPPJLFTPUVMNH-BEQMOXJMSA-N 326.312 0.698 50 40 ECGB O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 4749942 YOJYYZQIQPVGDN-SECBINFHSA-N 341.345 0.181 50 40 ECGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3CCOCC3)nc12 552706 QZZOXACFHIWZRL-FMIVXFBMSA-N 339.355 0.232 50 40 ECGB NNC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl 408584862 VZZIHKGUMCYMEP-UHFFFAOYSA-N 347.824 0.930 50 40 ECGB Cc1cccc(OCC(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 4749923 VQWIMFASSRZOKC-LBPRGKRZSA-N 340.401 0.346 50 40 ECGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 3061870 GJEDATGVJKPFMU-DJKKODMXSA-N 326.312 0.577 50 40 ECGB COc1ccc(CC(=O)N/N=C(\C)Cn2nnc([N+](=O)[O-])n2)cc1 25580809 GXLIOGAATXRETM-NTEUORMPSA-N 333.308 0.325 50 40 ECGB Nc1nonc1C(=O)N/N=C/c1ccc(I)o1 2211686 ITBSQJCYDMTMAT-QDEBKDIKSA-N 347.072 0.613 50 40 ECGB O=C(O)CSCC(=O)NNC(=O)COc1ccc(Cl)cc1 3238051 IREUOCHZFPHGSH-UHFFFAOYSA-N 332.765 0.684 50 40 ECGB CCCn1cnc2sc(C(=O)NNC(=S)NC)c(C)c2c1=O 9189632 PSXKWHKSMOORLQ-UHFFFAOYSA-N 339.446 0.915 50 40 ECGB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NN)C1 223468366 SOOMFQZJCQHCMZ-SECBINFHSA-N 331.369 0.225 50 40 ECGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1O 5526505 VXHMTABLWDZNIV-VIZOYTHASA-N 344.165 0.367 50 40 ECGB C/C(CC(=O)Nc1cccc(Cl)c1)=N\NC(=O)C(=O)NCCO 14922677 XEUGRENCMYUPRI-GIJQJNRQSA-N 340.767 0.269 50 40 ECGB CCCn1c(N)c(N(CCOC)C(=O)CCCCl)c(=O)[nH]c1=O 2650171 PZAOZKWUZDNBTM-UHFFFAOYSA-N 346.815 0.527 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)Cn1cnc2ccccc2c1=O 104816567 SZPVGQXFKPTRGE-BENRWUELSA-N 326.312 0.265 50 40 ECGB C/C(=N\NC(=O)c1ccncc1)c1nnn(-c2nonc2N)c1C 8404279 DGGKMFOKAJTXJU-FRKPEAEDSA-N 327.308 0.090 50 40 ECGB CC(C)(C)OC(=O)N[C@H](CNC(=O)CBr)C(=O)O 98091622 CBCUCJIZACLGGN-ZCFIWIBFSA-N 325.159 0.475 50 40 ECGB O=C(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)NCc1cccnc1 59461590 ZLFCYXIUKNSGSC-RGVLZGJSSA-N 340.339 0.936 50 40 ECGB COC(=O)c1c(C)[nH]c(C(=O)NNC(=O)Cn2nc(C)cc2C)c1C 12665795 RNACIDGSSMUBRL-UHFFFAOYSA-N 347.375 0.693 50 40 ECGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccc[nH]c1=O 12935683 YCYZLXZZJMGJBE-SNVBAGLBSA-N 326.312 0.475 50 40 ECGB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1 9156387 YZUSWKLRHVBLTM-UHFFFAOYSA-N 344.820 0.961 50 40 ECGB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNC(=O)c1ccccc1F 97574870 DFSGSONFKLZHQQ-GHMZBOCLSA-N 345.330 0.538 50 40 ECGB N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(N)=O 408852708 HSLDVSSTXDQICQ-FLIBITNWSA-N 338.323 0.927 50 40 ECGB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)c1 104690131 NUGIRRRYNVOYKS-XFXZXTDPSA-N 337.357 0.077 50 40 ECGB O=C1CCC(C(=O)NNC(=O)c2ccc(Br)cc2)=NN1 6053563 CQNBWBZCPMZJMA-UHFFFAOYSA-N 339.149 0.476 50 40 ECGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccco3)C2=O)cc1 101478350 LKVLOUPJJQVJHS-LBPRGKRZSA-N 329.312 0.855 50 40 ECGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nn1c(C)nc2ccccc2c1=O 5886282 RBSKRMDLDWSLME-JYRVWZFOSA-N 335.323 0.629 50 40 ECGB CC[C@@H](C)OC(=O)C[C@@H]1C(=O)NCCN1C(=O)CBr 35605105 JYSBBRBUETVZBC-RKDXNWHRSA-N 335.198 0.440 50 40 ECGB CCn1c(C)nc2cc(C(=O)NNC(=O)C3=NNC(=O)CC3)ccc21 5831273 DBDYUZZPCIHQBQ-UHFFFAOYSA-N 342.359 0.392 50 40 ECGB O=C(CN1CSCC1=O)NNC(=O)CN1CCCc2ccccc21 8139102 OZUAHJLGWAEJSY-UHFFFAOYSA-N 348.428 0.120 50 40 ECGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccco2)c2ccccc21 100260513 DJFGRJOCPRUQDM-RGEXLXHISA-N 326.312 0.506 50 40 ECGB COC(=O)CN1C(=O)/C(=N/NC(=O)c2cccnc2)c2ccccc21 5910127 LMVIKCRNBRPDOL-XDJHFCHBSA-N 338.323 0.735 50 40 ECGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)N2 409092631 VUTZUIPTOKBMAE-LLVKDONJSA-N 343.774 0.989 50 40 ECGB Cc1cc(C)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(C)c1 8746153 DMMIITZVLJWONN-UHFFFAOYSA-N 327.406 0.446 50 40 ECGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-] 3140862 LOXPSSOTSTVSDA-SECBINFHSA-N 327.256 0.602 50 40 ECGB COc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCC(=O)NN 12394164 XLYHNHCUIQISPB-OAHLLOKOSA-N 348.359 0.281 50 40 ECGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(OC)c1 408799865 ITIKMTPVGHSALN-KPKJPENVSA-N 333.344 0.229 50 40 ECGB N[C@H](CCSSCC[C@H](N)P(=O)(O)O)P(=O)(O)O 17140277 XQQQJQJIMDCXSC-OLQVQODUSA-N 340.300 0.073 50 40 ECGB O=C(O)C[C@@H](NCc1ccco1)C(=O)NNC(=O)c1ccccc1 72334065 FBMUPGGTZADXRQ-CYBMUJFWSA-N 331.328 0.674 50 40 ECGB NNC(=O)[C@H]1CC(=O)N(c2cccc(I)c2)C1 216873381 CPZLCGDEXRHCKR-ZETCQYMHSA-N 345.140 0.634 50 40 ECGB COc1cccc(OC)c1/C=N/NC(=O)C(=O)NCc1ccccn1 6320166 BEIBOIOPQSGPIP-RGVLZGJSSA-N 342.355 0.865 50 40 ECGB O=C(NNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)c1ccc2c(c1)CCC2 14077077 YMSYMRPSCFIBOR-UHFFFAOYSA-N 342.311 0.847 50 40 ECGB Cc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1 2541944 BOUZNDWJVOEHSJ-FRKPEAEDSA-N 326.320 0.613 50 40 ECGB COC(=O)c1ccc(NC(=S)NNC(=O)c2cn(C)nn2)cc1 1775968978 QGMLNHCCHRYQFQ-UHFFFAOYSA-N 334.361 0.233 50 40 ECGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccccc1 138452 BXVCRDWPFQMJIL-LZYBPNLTSA-N 326.320 0.695 50 40 ECGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1C 4517146 QTZMKAAWYXBZFK-LJQANCHMSA-N 349.346 0.933 50 40 ECGB C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58882296 NIWXDCFIKVXJEH-UPUBPREISA-N 349.387 0.192 50 40 ECGB CCOC(=O)NNC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 36329334 CCRHTCVTAHEUDC-PKNBQFBNSA-N 341.389 0.744 50 40 ECGB COc1ccc(NC(=O)C(=O)N/N=C/c2c(C)nn(C)c2F)cn1 252482468 DGJNOGHUHVKONX-REZTVBANSA-N 334.311 0.360 50 40 ECGB O=C(CCN1C(=O)CCC1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 57987554 IKEUJSNOFRVUKM-UHFFFAOYSA-N 347.415 0.889 50 40 ECGB O=C(CNC(=O)c1ccco1)NNC(=O)Cc1c[nH]c2ccccc12 6510416 RHPNPOKDYAKOEX-UHFFFAOYSA-N 340.339 0.881 50 40 ECGB COC(=O)CN1C(=O)/C(=N/NC(=O)c2ccncc2)c2ccccc21 5910128 WOMOSUUOBCIKLL-XDJHFCHBSA-N 338.323 0.735 50 40 ECGB CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 8029572 KIHRDPMAXWVCLL-CABZTGNLSA-N 340.355 0.433 50 40 ECGB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NN)CC1 409376480 BAHMSHZYEBSKOE-UHFFFAOYSA-N 327.406 0.394 50 40 ECGB CCOc1ccc(C(=O)NNC(=O)c2c(C)c(C)n[nH]c2=O)cc1 40549446 JRSMBROZBJIBEO-UHFFFAOYSA-N 330.344 0.860 50 40 ECGB COc1ccc([C@H]2C(C#N)=C(N)NC(=S)[C@@H]2C(N)=O)c(OC)c1 3771961 XRYZWMKNMZHNKI-RYUDHWBXSA-N 332.385 0.513 50 40 ECGB CCOC(=O)[C@@H]1[C@H](C(=O)NN)[C@H]1C(=O)Nc1ccc(Cl)cc1 12859591 SUGJHUKBAKPJNA-MXWKQRLJSA-N 325.752 0.694 50 40 ECGB CCCc1c(C(=O)N/N=C/c2ccc(C)o2)nnn1-c1nonc1N 9307883 WAVQXHYJNIXIPW-FRKPEAEDSA-N 344.335 0.850 50 40 ECGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cn2nccc2C)c1O 61869561 CXMFNTWAJPBSSM-VIZOYTHASA-N 333.304 0.964 50 40 ECGB CC(C)COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CBr 35605059 KVTJOCBYFRTXII-SECBINFHSA-N 335.198 0.298 50 40 ECGB COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)c(OC)c1 3061812 YLSDFQRBYNWOBX-RGVLZGJSSA-N 342.355 0.865 50 40 ECGB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408965560 IVKOLBZFKMTOPN-CAOOACKPSA-N 335.389 0.744 50 40 ECGB COCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 8104771 AMLWWOJMMCEYRG-FRKPEAEDSA-N 329.740 0.267 50 40 ECGB CN1CC[N+]2(CC1)C[C@@](C)(O)C[C@H]2CI 160471 RMUYGKURLCGPPK-QWRGUYRKSA-N 325.214 0.707 50 40 ECGB CC(C)(SSC(C)(C)[C@@H]1NC(=O)NC1=O)[C@H]1NC(=O)NC1=O 17131366 ATAHDNOLIIJRRR-OLQVQODUSA-N 346.434 0.341 50 40 ECGB O=C(NNC(=S)NCCCN1CCOCC1)c1ccccc1O 21548745 RJFBGXYHRIWCJU-UHFFFAOYSA-N 338.433 0.223 50 40 ECGB CC(=O)Nc1cccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)c1 25056316 QJPFKHMWXOBTJC-AWEZNQCLSA-N 339.417 0.751 50 40 ECGB O=C(COc1ccc(F)cc1)NNC(=O)CSc1ncn[nH]1 5768923 NLKJJDVEWVVNHF-UHFFFAOYSA-N 325.325 0.262 50 40 ECGB COCCNC(=O)Cn1cc(/C=C(\C#N)C(N)=O)c2ccccc21 5014750 HKMGOTGTXRWUPJ-XYOKQWHBSA-N 326.356 0.796 50 40 ECGB Nc1ccccc1C(=O)NNC(=O)C(=O)CC(=O)c1ccccc1 100921439 SWKUQQNCTOSATF-UHFFFAOYSA-N 325.324 0.872 50 40 ECGB O=C(CCc1ccco1)NNC(=O)CN1C(=O)COc2ccccc21 8724085 CMBIMITVKRRNAI-UHFFFAOYSA-N 343.339 0.785 50 40 ECGB Nc1nc(NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ncc1F 33540502 PFLYSKUTFPCFJZ-UHFFFAOYSA-N 337.227 0.771 50 40 ECGB COc1ccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1OC 9485484 LIZQPNVXOWBILY-WDEREUQCSA-N 347.820 0.767 50 40 ECGB COC(=O)[C@H]1[C@@H](CBr)N1N1C(=O)c2ccccc2C1=O 2023894 SILWPUNSWZQLOD-KVSBIHQSSA-N 339.145 0.818 50 40 ECGB O=C(COc1ccccc1)NCC(=O)N/N=C/c1ccc(O)cc1O 2286827 OWVRDNXXFQEPHI-DJKKODMXSA-N 343.339 0.743 50 40 ECGB COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCl 3885244 ZMUXZRVJHOCIFU-UHFFFAOYSA-N 348.808 0.893 50 40 ECGB O=C(COc1ccccc1)NNC1=NS(=O)(=O)c2ccccc21 87869 OUZFPHVZXAZVRM-UHFFFAOYSA-N 331.353 0.835 50 40 ECGB CCc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1 409092373 VCYPHGRZPYNJNH-CYBMUJFWSA-N 337.383 0.898 50 40 ECGB CCCOc1ccc(C(=O)N/N=C\c2c(C)[nH]c(=O)[nH]c2=O)cc1 57470319 MWSDYAZKDGPWQF-MFOYZWKCSA-N 330.344 0.924 50 40 ECGB CCOC(=O)C(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O 100551335 HBLUZKALZJEKSH-UHFFFAOYSA-N 347.327 0.051 50 40 ECGB C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58882291 NIWXDCFIKVXJEH-BCENKEKNSA-N 349.387 0.192 50 40 ECGB O=C(CNC(=O)c1ccccc1O)N/N=C1/C(=O)Nc2ccccc21 6000004 QWIOFYOLGGFLLR-UHFFFAOYSA-N 338.323 0.595 50 40 ECGB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 36589975 HEZKANAEKSLIES-HRDYMLBCSA-N 340.829 0.420 50 40 ECGB COc1ccc(NC(=S)NNC(=O)c2cn(C)nn2)cc1OC 1775968961 PQTYEVANEFNBSV-UHFFFAOYSA-N 336.377 0.464 50 40 ECGB CCn1nc(C(=O)NNC(=O)[C@@H]2CCCO2)c2ccccc2c1=O 12923440 JZQHFNKKBIIPEP-LBPRGKRZSA-N 330.344 0.356 50 40 ECGB Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1 27610048 OCEQLGUBSNYECM-AWEZNQCLSA-N 342.355 0.429 50 40 ECGB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NN)CC2)c1 6441419 ZOZDOPIOKHECNG-UHFFFAOYSA-N 343.405 0.094 50 40 ECGB COC(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)OC 8397468 MZEFMIYSDDSRTC-UHFFFAOYSA-N 332.357 0.492 50 40 ECGB N[C@@H](CSSC[C@H](NC(=O)c1ccccc1)C(=O)O)C(=O)O 1581114 VCMITNDKIAKQSE-UWVGGRQHSA-N 344.414 0.663 50 40 ECGB O=C(CSS(=O)(=O)O)N1CCN(C(=O)c2ccoc2)CC1 2271051 BRXBFKGLFAERLP-UHFFFAOYSA-N 334.375 0.100 50 40 ECGB O=C(COc1cccc2ccccc12)NNC(=O)CN1CCOCC1 26099520 KOZVFMZMIYBAOY-UHFFFAOYSA-N 343.383 0.698 50 40 ECGB O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)N2CCOCC2)[C@@H]13 101209373 ZWWUOBHNIOLLFF-ZBJKAAEASA-N 330.178 0.416 50 40 ECGB Cn1c(CC(=O)NNC(=O)CN2CCSC2=O)nc2ccccc21 12556545 KGWJLGLOCLNNLX-UHFFFAOYSA-N 347.400 0.432 50 40 ECGB CN(CCCl)CC(=O)OCCOC(=O)CN(C)CCCl 4792322 CLGKVUUTYCWAFX-UHFFFAOYSA-N 329.224 0.414 50 40 ECGB COc1ccc(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1OC 9485489 LIZQPNVXOWBILY-GHMZBOCLSA-N 347.820 0.767 50 40 ECGB CSc1ncccc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C 24969261 VHTCXCINXBGCHB-SNVBAGLBSA-N 329.447 0.909 50 40 ECGB COc1cccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)c1 409082619 SAYOCNRZSWUXOP-GFCCVEGCSA-N 339.355 0.344 50 40 ECGB O=C(NCCNC(=O)c1ccco1)NNC(=O)c1ccc(F)cc1 12985536 LFYUQDVBKDLSOV-UHFFFAOYSA-N 334.307 0.793 50 40 ECGB CCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 14245815 JJFHWOQOYHSTME-UHFFFAOYSA-N 325.390 0.642 50 40 ECGB CCN(CC(=O)NN)S(=O)(=O)c1cc(Cl)ccc1Cl 6891292 QBGCBEVOGPVLMM-UHFFFAOYSA-N 326.205 0.994 50 40 ECGB CCCCCC(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O 4726244 LRBVTGMFBRIVKQ-IUCAKERBSA-N 338.451 0.929 50 40 ECGB Cc1c(C(=O)N/N=C/c2ccc(F)cc2)nnn1-c1nonc1N 62564 RLRIRWUHFDELGO-OMCISZLKSA-N 330.283 0.444 50 40 ECGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(O)c2)s1 408732527 WIWPUQRMMYFNPO-VIZOYTHASA-N 349.372 0.991 50 40 ECGB Cn1cccc1C(=O)NNC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 44934158 IZUHQPDWUVIATQ-ZDUSSCGKSA-N 347.419 0.714 50 40 ECGB COC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]2C(=O)N[C@@]1(C)NC2=C(C#N)C#N 85409547 XKGJGQSDBLFQSR-KYZVSKTDSA-N 336.351 0.926 50 40 ECGB Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c1C 7725948 RUBPXEKMBRPJMM-UHFFFAOYSA-N 341.433 0.754 50 40 ECGB C[C@H]1CCc2sc(C(=O)NNC(=O)[C@H]3CN(C)CCO3)cc2C1 81229753 GBUBOLUCYYQICU-CMPLNLGQSA-N 337.445 0.965 50 40 ECGB COc1ccc(/C=N/NC(=O)c2ccc(O)nn2)c(C(=O)O)c1OC 20057443 MCYQCHUTFQRADL-FRKPEAEDSA-N 346.299 0.662 50 40 ECGB COC(=O)NNC(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C 5560515 JIZPVCVFOLCFQN-UHFFFAOYSA-N 346.434 0.803 50 40 ECGB N#Cc1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)c1 157771568 MVIKLOZEHDBTBU-WDEREUQCSA-N 334.806 0.241 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)CCS(=O)(=O)c1ccccc1 103141705 DVEXFNWSWXWRRL-QBFSEMIESA-N 336.369 0.719 50 40 ECGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)c(O)c([N+](=O)[O-])c1 408951210 HZZWZHJMPDZRRZ-OVCLIPMQSA-N 339.304 0.912 50 40 ECGB COc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1OC 9486365 JANCVCQSFISMIQ-NXEZZACHSA-N 333.793 0.838 50 40 ECGB CCCCCC(=O)N[C@H](CSSC[C@@H](N)C(=O)O)C(=O)O 4726247 LRBVTGMFBRIVKQ-RKDXNWHRSA-N 338.451 0.929 50 40 ECGB Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)CC#N)C(=O)NC2=S)cc1 408763763 ORPOSZSTDRFTIA-XZDJTBRNSA-N 343.368 0.375 50 40 ECGB CCNC(=S)NNC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1 7990711 LHOJWLNYNNIKRN-SNVBAGLBSA-N 343.840 0.955 50 40 ECGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NNC(=O)c1ccccc1[N+](=O)[O-] 16694061 LMFVHMQYLSDRHH-XFFZJAGNSA-N 341.283 0.210 50 40 ECGB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NN 408564615 ZWYJIHBUMGBNQB-UHFFFAOYSA-N 327.406 0.538 50 40 ECGB NCCCCCCNC(=S)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 40167864 ZBEUFSGONMVSQH-VHSXEESVSA-N 327.903 0.374 50 40 ECGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1 29558226 GWDKOPHTJIHNCE-GHMZBOCLSA-N 349.362 0.751 50 40 ECGB COC(=O)/C=C1\SC(NNC(=O)c2ccc(OC)cc2)=NC1=O 508150 FQKQXNUMEVNFJF-YFHOEESVSA-N 335.341 0.616 50 40 ECGB O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)N1CCOCC1 5500145 ZWWUOBHNIOLLFF-XVWDQHCBSA-N 330.178 0.416 50 40 ECGB O=S1(=O)CCCN1c1cccc(NCc2ccccc2B(O)O)c1 585012234 QKUHGVRIQAPZGH-UHFFFAOYSA-N 346.217 0.518 50 40 ECGB COc1ccccc1C(=O)NNC(=O)[C@H]1CN2CC3CC2(CO1)C3 1616040533 KPGMUDJBJNJDCT-CHHLVHLRSA-N 331.372 0.319 50 40 ECGB CCCCN1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2O)C1=O 2323734 CTMZKXPQYMAMDZ-PKNBQFBNSA-N 346.343 0.389 50 40 ECGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1c(F)cccc1F 4535640 UBBHJGBJEXAHFM-MKMNVTDBSA-N 325.235 0.665 50 40 ECGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1c(F)cccc1Cl 138704 VQUBQGVPCLTPFG-OMCISZLKSA-N 339.714 0.334 50 40 ECGB C=C(C)C(=O)NNC(=O)c1cccc(C(=O)NNC(=O)C(=C)C)c1 226124 QJSAAUALSHVESC-UHFFFAOYSA-N 330.344 0.361 50 40 ECGB O=C[C@H](Br)P(=O)(N1CCOCC1)N1CCOCC1 500954 KNCFQXHOZHPNFY-SNVBAGLBSA-N 341.142 0.764 50 40 ECGB CC1(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)OCCO1 4524173 HKPWBTKFSHRUKW-VIZOYTHASA-N 337.288 0.927 50 40 ECGB COc1cccc(-c2n[nH]cc2/C=N/NC(=O)Cn2cncn2)c1 1389765 RCJNFVIZTNILQB-UBKPWBPPSA-N 325.332 0.827 50 40 ECGB CC(=O)N[C@H](C(=O)NNC(=O)COc1cc(C)cc(C)c1)C(C)C 8349057 BIMWCWHULUPAEM-INIZCTEOSA-N 335.404 0.990 50 40 ECGB CSCC[C@H](NS(=O)(=O)c1cc(C)cc(C)c1)C(=O)NN 64219804 WWKAIFZUMFJKRW-LBPRGKRZSA-N 331.463 0.693 50 40 ECGB COc1cccc(/C=N/NC(=O)CNC(=O)c2ccncc2)c1O 2288398 CNHKGIRWSUIXLS-DJKKODMXSA-N 328.328 0.676 50 40 ECGB C/C(NNC(=O)c1ccn(C(F)F)n1)=C1/C(=O)NC(=O)SC1=O 101540435 SWEQJSIDETXFFI-GQCTYLIASA-N 345.287 0.296 50 40 ECGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCCCOC)cc1OC 7869782 RCEDRCUYJRDKEV-XDHOZWIPSA-N 349.387 0.863 50 40 ECGB O=C(Cc1nnc(=O)[nH]c1O)N/N=C/c1cc(Cl)ccc1Cl 55784 KVPMWPOASPRHFZ-PJQLUOCWSA-N 342.142 0.870 50 40 ECGB CC(C)[C@@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N(C)C 65547495 GVAVRYTVRCHYAC-ZDUSSCGKSA-N 331.380 0.010 50 40 ECGB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)NN)c(Cl)c1 6326648 XKQNIDHGWVJIES-UHFFFAOYSA-N 335.813 0.643 50 40 ECGB Cc1ccc(CNC(=O)NCC(=O)NNC(=O)c2ccco2)cc1 12937819 FDMMKJCEBOVUDF-UHFFFAOYSA-N 330.344 0.848 50 40 ECGB C[C@H](OC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)C(=O)NC(N)=O 96504753 CWCJQNXVFXVPNZ-UVIKPUKZSA-N 330.344 0.786 50 40 ECGB CO[C@@H](CS(=O)(=O)NNC(=O)CC(C)(C)C)C1CCOCC1 585089171 YARDZMZRIXYTGO-LBPRGKRZSA-N 336.454 0.815 50 40 ECGB N[C@H](CSSC[C@H](NC(=O)c1ccccc1)C(=O)O)C(=O)O 1581116 VCMITNDKIAKQSE-ZJUUUORDSA-N 344.414 0.663 50 40 ECGB Cn1nc(C(=O)NNC(=O)C[C@@H]2CCCO2)c2ccccc2c1=O 44921223 WHKZQHPDAWUSRK-JTQLQIEISA-N 330.344 0.264 50 40 ECGB COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccco1 13359340 LLSDRSZGHOMWJL-UHFFFAOYSA-N 340.313 0.610 50 40 ECGB Cc1ccc(S(=O)(=O)NNC(=O)[C@@]2(C)C[C@@]2(C)C(=O)O)cc1 1664303 ORCGNDAITUBKJY-KGLIPLIRSA-N 326.374 0.805 50 40 ECGB COc1ccc(C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 4392934 IXGHNZRLACANLI-JTQLQIEISA-N 326.374 0.281 50 40 ECGB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C1CC1 3395711 OVUWSJPFEWZDIB-PBQZMEPESA-N 337.401 0.523 50 40 ECGB CC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)/C=C/C(=O)O)cc1 4075704 VNMMRUFTGKGXEM-CMDGGOBGSA-N 347.371 0.502 50 40 ECGB O=C(Cc1ccc(N2CCCC2=O)cc1)NNC(=O)c1cnccn1 11531228 WGIMXTCFUPIEIF-UHFFFAOYSA-N 339.355 0.607 50 40 ECGB COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 157757133 QRVYAJSLUBOLDY-QWRGUYRKSA-N 339.822 0.378 50 40 ECGB COC(=O)[C@H]1[C@H](CBr)N1N1C(=O)c2ccccc2C1=O 2573669 SILWPUNSWZQLOD-TZPSPIKVSA-N 339.145 0.818 50 40 ECGB COc1ccc(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1OC 9485491 LIZQPNVXOWBILY-MNOVXSKESA-N 347.820 0.767 50 40 ECGB C[C@H](NC(N)=O)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 32969057 GQJGTFWKGQWEHP-JTQLQIEISA-N 336.392 0.567 50 40 ECGB O=C1OC(=O)[C@@H]2[C@H]1[C@H]1O[C@H]2[C@H](Br)[C@@H]1Br 101151714 OCPGECKNMMXUPB-XJQRDMAOSA-N 325.940 0.610 50 40 ECGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCCOC)cc1OC 5511715 JDKJGZTYTSUEPP-WOJGMQOQSA-N 335.360 0.473 50 40 ECGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1cccc(C(=O)O)c1 100488188 IHWMDBJVIBBISN-CPNJWEJPSA-N 342.311 0.354 50 40 ECGB COCc1c(C(=O)N/N=C/[C@@H]2CC=CCC2)nnn1-c1nonc1N 8406951 YTAQRKXFPJATQQ-UHDDOIDHSA-N 346.351 0.451 50 40 ECGB O=C(NNC(=O)c1c[nH]c(=S)n1-c1ccccc1)C(=O)NC1CC1 9890264 OTBWPBVLEFPPMW-UHFFFAOYSA-N 345.384 0.574 50 40 ECGB Cn1c(=O)n(CCC(=O)NNC(=O)c2ccccn2)c2ccccc21 12909257 ZPRPMUUKOPSMSS-UHFFFAOYSA-N 339.355 0.586 50 40 ECGB C=CCN1C(=O)/C(=C/NNC(=O)c2ccncc2)C(O)=NC1=S 6780763 VQXGLJKJOZWEHT-CSKARUKUSA-N 331.357 0.470 50 40 ECGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2nnc(=O)[nH]c2O)cc1 55682 BBIJPISKQHQLRX-LICLKQGHSA-N 344.375 0.410 50 40 ECGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)c1ccc[nH]c1=O 12935687 YCYZLXZZJMGJBE-JTQLQIEISA-N 326.312 0.475 50 40 ECGB Cn1cccc1C(=O)NNS(=O)(=O)CCOc1ccc(F)cc1 71914687 MLCYSZKMYKSPTL-UHFFFAOYSA-N 341.364 0.807 50 40 ECGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(O)c2)s1 408732145 SSWJDHCNZUKUJJ-MKMNVTDBSA-N 335.345 0.601 50 40 ECGB CC(C)CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)CBr 35605079 UNFKLQWGVMFZPJ-SNVBAGLBSA-N 349.225 0.688 50 40 ECGB CC(=O)O[C@H]1CO[C@H](Br)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5018923 AVNRQUICFRHQDY-ZDCRXTMVSA-N 339.138 0.533 50 40 ECGB COc1cc([C@@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc2c1OCO2 15109271 CKXICSOZFMXATJ-LLVKDONJSA-N 340.295 0.725 50 40 ECGB COC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]2C(=O)N[C@]1(C)NC2=C(C#N)C#N 100253776 XKGJGQSDBLFQSR-NPSOMJIGSA-N 336.351 0.926 50 40 ECGB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCCO1 84409407 YWAIGJCRTQTBJX-GHMZBOCLSA-N 329.397 0.862 50 40 ECGB NNC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 95932668 LQAVGONZGDEMMY-UHFFFAOYSA-N 337.733 0.866 50 40 ECGB Cc1nn(C)c(C)c1CC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 22963146 NPNFVYDQYXWYRP-HNNXBMFYSA-N 344.371 0.567 50 40 ECGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCc1c(C)no[n+]1[O-] 33285925 BULDUQJRTJUHPQ-WZUFQYTHSA-N 330.300 0.596 50 40 ECGB Cc1ccc(C(=O)NNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c(C)c1 32870417 HTHMEIJKXZJLOE-UHFFFAOYSA-N 344.371 0.382 50 40 ECGB CC(=O)O[C@@H]1CO[C@H](Br)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5018919 AVNRQUICFRHQDY-DBIOUOCHSA-N 339.138 0.533 50 40 ECGB Cc1sc([C@H]2C(C#N)=C(N)Oc3[nH]c(=O)[nH]c(=O)c32)cc1[N+](=O)[O-] 12372425 CXJVDCUWPNQJKI-MRVPVSSYSA-N 347.312 0.560 50 40 ECGB C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)COc1ccc(F)cc1 25070535 UEUNHSKZVIYEQT-JTQLQIEISA-N 349.318 0.763 50 40 ECGB COc1cccc(N2C(=O)C[C@@H](NNC(=O)c3cccnc3)C2=O)c1 100115988 ASPFJMOWVYTOMA-CQSZACIVSA-N 340.339 0.657 50 40 ECGB NC(=O)COc1ccc(/C=C/C(=O)NNC(=O)c2ccncc2)cc1 44874487 XZPMOVRYOPLGFZ-ZZXKWVIFSA-N 340.339 0.420 50 40 ECGB O=C(NN[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O)c1cccnc1 554153 VMQQAMFXFZPEDK-CYBMUJFWSA-N 328.303 0.787 50 40 ECGB COC(=O)/C=C1/SC(NNC(=O)c2ccccc2OC)=NC1=O 4681136 DFVAFEBKWPAWLY-JXMROGBWSA-N 335.341 0.616 50 40 ECGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@@H]2[C@@H](N2C(=O)CCC2=O)[C@H]1Br 104073696 MBWCUAKFJQZPGF-CMQRFVQNSA-N 342.145 0.233 50 40 ECGB COCCNC(=O)C(=O)N/N=C\c1ccc(Br)cc1 38332176 ZIJYQAYGHDWRKL-NVNXTCNLSA-N 328.166 0.662 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)C[C@@H]1Oc2ccccc2NC1=O 105634539 TYSKWBKDWKOIJK-CMUBDUJZSA-N 329.312 0.645 50 40 ECGB CCCC(=O)NCC(=O)NNC(=O)c1cc(Br)cn1C 45910927 DSXOHKCRJPTSGS-UHFFFAOYSA-N 345.197 0.465 50 40 ECGB O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1 41091356 IYLGYUVNADATPO-UHFFFAOYSA-N 332.341 0.480 50 40 ECGB CCCCN1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2)C1=O 12338842 XEFKVUKLNPNQGQ-ZRDIBKRKSA-N 330.344 0.683 50 40 ECGB COc1cc(/C=N/NC(=O)Cc2cc(O)n[nH]2)cc(OC)c1OC 5799986 YYIZUKFRAXFWOD-LZYBPNLTSA-N 334.332 0.834 50 40 ECGB COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1c(C)no[n+]1[O-] 85731 BULDUQJRTJUHPQ-VZUCSPMQSA-N 330.300 0.596 50 40 ECGB COc1ccc([C@H]2C(C#N)=C(N)NC(=S)[C@H]2C(N)=O)c(OC)c1 3771963 XRYZWMKNMZHNKI-NWDGAFQWSA-N 332.385 0.513 50 40 ECGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1 2008754 ZOUFUQZACIWGGV-UHFFFAOYSA-N 334.357 0.663 50 40 ECGB CCCc1c(C(=O)N/N=C/c2ccccc2)nnn1-c1nonc1N 5478182 LWPYFUQGFWLQQY-RQZCQDPDSA-N 340.347 0.949 50 40 ECGB Cn1ncc2c(=O)n(CC(=O)N/N=C/c3ccc(F)s3)cnc21 252490957 LGGIKUQFDZZUHM-AYSLTRBKSA-N 334.336 0.481 50 40 ECGB O=C(O)CCSSCCNC(=O)CCN1C(=O)C=CC1=O 725325769 MQYOVZAKKXDVHK-UHFFFAOYSA-N 332.403 0.274 50 40 ECGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=N/Nc1ccc(O)c(C(=O)O)c1 101225066 NSRQPKPTSZEQGV-LDADJPATSA-N 328.284 0.697 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)c1nn(C)c(=O)c2ccccc12 104411642 NMHGZTQYZIEORS-XFXZXTDPSA-N 326.312 0.416 50 40 ECGB CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)cc1 409020342 OEVQPXCLRNGQHK-UVTDQMKNSA-N 329.356 0.577 50 40 ECGB CC1=NNC(=O)[C@@H]1CC(=O)N/N=C/c1ccccc1OCC(=O)O 100151509 QGVWOMPUPGLHIF-PFJSLNBISA-N 332.316 0.112 50 40 ECGB COc1cc(C(=O)N2CCC(C(=O)NN)CC2)cc(OC)c1OC 66057381 NQEFLPADNHOEDN-UHFFFAOYSA-N 337.376 0.555 50 40 ECGB CC(C)c1nnc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)s1 575420605 CQKZEEBJXNQFTM-RNFRBKRXSA-N 338.842 1.187 50 40 ECGB COC(=O)CCC(=O)NNC(=O)CCC(=O)NCc1ccccc1 4656960 OUIWTQTXSSUQCS-UHFFFAOYSA-N 335.360 0.184 50 40 ECGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)C1=NNC(=O)[C@H]1C#N 102296957 XRCPBJNBDHVGNK-PFHXIJNMSA-N 349.354 0.565 50 40 ECGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 1104947 IVHAWDXQWYOIMT-YTRUQHMWSA-N 335.341 0.805 50 40 ECGB COc1cc(/C=N/NC(=O)c2ccc(CO)nc2)cc([N+](=O)[O-])c1O 36020379 KWTBXOWICDCEKI-UBKPWBPPSA-N 346.299 0.960 50 40 ECGB COC(=O)c1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 12781523 HTCWVAHBLURMRY-ZDUSSCGKSA-N 340.401 0.579 50 40 ECGB N#C/C(=C\N1CCC(C(N)=O)CC1)C(=O)NCCc1ccccc1 5485157 HXOKMTFTBJABNC-DTQAZKPQSA-N 326.400 0.950 50 40 ECGB CSCC[C@@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)NN 6762819 LJHIXCCHIPKROQ-SECBINFHSA-N 326.378 0.648 50 40 ECGB CC(C)NC(=O)C(=O)NNS(=O)(=O)c1ccc(C(C)C)cc1 7725982 IMEONAXHUJDMKP-UHFFFAOYSA-N 327.406 0.644 50 40 ECGB O=S1(=O)C[C@H](NS(=O)(=O)c2ccc(F)cc2)[C@@H](Cl)C1 1074110 ZETDGWIGXBKOLX-UWVGGRQHSA-N 327.786 0.508 50 40 ECGB COC(=O)/C(C#N)=C/C(=C[C-](C#N)C(=O)OC)/C=C(\C#N)C(=O)OC 104038367 RHJZSEBLAVYILG-JLYPQOKGSA-N 342.287 0.430 50 40 ECGB C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)OC)cc1 58873000 DXGGOJJUJNUXNI-ZDLGFXPLSA-N 333.344 0.381 50 40 ECGB Cc1nn(C)cc1NC(=S)NNC(=O)c1ccnn1C(F)F 2797833 NNNRSLHNYUDAKV-UHFFFAOYSA-N 329.336 0.952 50 40 ECGB O=C(O)[C@@H]1[C@H]2O[C@@H]([C@H](Br)[C@@H]2Br)[C@@H]1C(=O)O 100133710 YAUAFDGEUWEBOP-XJQRDMAOSA-N 343.955 0.696 50 40 ECGB in-vitro CN(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1 5333994 WYHVTDAJTNNEMG-UDWIEESQSA-N 325.372 0.914 50 40 ECGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1cccs1 6652172 UAPMDBGDWWOEEI-UHFFFAOYSA-N 347.352 0.668 50 40 ECGB CC(=O)NNC(=O)[C@@H]1CCCN1C(=O)c1cncn1-c1ccccc1 585141347 UIYMBSXEJHWAIN-AWEZNQCLSA-N 341.371 0.644 50 40 ECGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc(Cl)c1 176850 SRDOCBVTUYCCDM-OMCISZLKSA-N 346.738 0.958 50 40 ECGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)C(C)C)c([N+](=O)[O-])c1 28198325 FEWPYNBPYKWFFL-UHFFFAOYSA-N 345.333 0.347 50 40 ECGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1 58873415 UYKOEYKATGVDQP-VCHYOVAHSA-N 347.371 0.747 50 40 ECGB CCN1C(=O)C(=CNNC(=O)c2ccccc2)C(=O)N(CC)C1=S 5909184 DXGHLYIJHCPYNH-UHFFFAOYSA-N 346.412 0.800 50 40 ECGB CS(=O)(=O)N1CCN(c2ccc(NC(=O)CCl)cc2)CC1 72210127 OSTFYQXJUIMCCP-UHFFFAOYSA-N 331.825 0.946 50 40 ECGB O=C(N/N=C\c1cccc(O)c1)C(=O)N/N=C\c1cccc(O)c1 31637472 HEPPJLFTPUVMNH-XFQWXJFMSA-N 326.312 0.698 50 40 ECGB O=C(CCS(=O)(=O)c1ccccc1)NNC(=O)c1ccccn1 8197373 GDDJGIAITMVGOL-UHFFFAOYSA-N 333.369 0.707 50 40 ECGB CS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)NN)C2)c(Cl)c1 15443570 WEQNWRGUHIBNSQ-VIFPVBQESA-N 331.825 0.950 50 40 ECGB NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](CCl)NS2(=O)=O 197050681 ILEKCYUSYWEDPL-MRVPVSSYSA-N 346.217 0.256 50 40 ECGB in-vitro Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c(C)c1 157762572 BUKCKEMFQPEXQH-GHMZBOCLSA-N 337.850 0.986 50 40 ECGB Cc1ccoc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 14121827 VJFZBQJDGVKEEG-UHFFFAOYSA-N 336.373 0.956 50 40 ECGB N#CCC(=O)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 6240775 YXSAGEDCMYGPEU-MDKXCRPYSA-N 329.341 0.066 50 40 ECGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2cc(F)cc(F)c2)n1 12973737 LRDLWPUQFCIWFL-UHFFFAOYSA-N 344.343 0.788 50 40 ECGB Cn1nnnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1 421113 TZOIJRMVPBRMCG-UHFFFAOYSA-N 326.769 0.417 50 40 ECGB CCOC(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24647038 XESZIGKKOQEMPX-VIFPVBQESA-N 335.316 0.546 50 40 ECGB O=C(NNS(=O)(=O)c1ccccc1)[C@H]1COc2ccccc2O1 309094 MXGCNVWHRPLMJB-CQSZACIVSA-N 334.353 0.836 50 40 ECGB N#CCC(=O)N/N=C1\C(=N)O[C@@H](c2ccco2)\C1=N/NC(=O)CC#N 25585440 QNJJUEZFARHKDA-ASXQTDFJSA-N 341.287 0.100 50 40 ECGB Cn1nc(CC(=O)NNC(=O)c2cccs2)c2ccccc2c1=O 7280125 PCWWJABOVMAZPM-UHFFFAOYSA-N 342.380 0.999 50 40 ECGB C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1C)c1ccccc1 13563526 BXVCRDWPFQMJIL-PXNMLYILSA-N 326.320 0.695 50 40 ECGB Cc1ccc(S(=O)(=O)NNC(=O)[C@]2(C)C[C@]2(C)C(=O)O)cc1 1664302 ORCGNDAITUBKJY-UONOGXRCSA-N 326.374 0.805 50 40 ECGB CS(=O)(=O)OCCOCCOCCOCCBr 400626054 LUIMQGOWWSFHND-UHFFFAOYSA-N 335.216 0.407 50 40 ECGB O=C(CBr)NCCCCC(=O)ON1C(=O)CCC1=O 100082453 CZCPSUQFFJJUBB-UHFFFAOYSA-N 335.154 0.275 50 40 ECGB O=C(CCl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 4930661 KARYCWZLJDXTOD-UHFFFAOYSA-N 334.781 0.590 50 40 ECGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)Cc1ccccc1 6584699 UQSRLLUNLSSZMQ-WOJGMQOQSA-N 346.412 0.994 50 40 ECGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 6953859 KBIPDAKZZLOTAT-YBFXNURJSA-N 346.387 0.274 50 40 ECGB CC(C)c1ccc(OCC(=O)N/N=C2/C(=O)NC(=O)N=C2O)cc1 8767570 JIJMIFULGIHRTH-UHFFFAOYSA-N 332.316 0.867 50 40 ECGB Cn1c(=O)[nH]c(=O)c2c1nc(NNC=O)n2Cc1ccc(Cl)cc1 4663946 TYVBAGPSVJFPCO-UHFFFAOYSA-N 348.750 0.198 50 40 ECGB Cc1cc(C(=O)NNC(=O)c2ccccc2)ccc1S(N)(=O)=O 69654858 WUPSLVKMPJASAI-UHFFFAOYSA-N 333.369 0.717 50 40 ECGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NNS(=O)(=O)c1ccc(C)cc1 16310378 VZBHLJDIIUTEOF-JYRVWZFOSA-N 346.368 0.158 50 40 ECGB O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1cccs1 6508016 YGLLRGVXHAJMFF-UHFFFAOYSA-N 328.353 0.919 50 40 ECGB COc1ccccc1C(=O)NCC(=O)NNC(=O)c1cccs1 6558072 DQIDXCGMAASGJY-UHFFFAOYSA-N 333.369 0.948 50 40 ECGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccs2)c2ccccc21 5982204 BRWCHASJCAGTCP-RGEXLXHISA-N 342.380 0.975 50 40 ECGB NC(=O)COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 204907 VUSQHNNRCNLPGS-UFWORHAWSA-N 345.384 0.583 50 40 ECGB Cc1cnc(NNC(=O)NS(=O)(=O)c2ccccc2Cl)nn1 369947 RIBLRMYKYJMFRR-UHFFFAOYSA-N 342.768 0.848 50 40 ECGB N#CCC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 28214276 VGWWLKFWCGSLQB-VYXQJKENSA-N 344.371 0.724 50 40 ECGB Cc1n[nH]c2c1[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)N2 19624534 ZOTCUIMTYUFAAP-OAHLLOKOSA-N 337.299 0.984 50 40 ECGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1O 408996475 PKZVIFZSAARDLD-PXNMLYILSA-N 327.768 0.837 50 40 ECGB C=CCN1C(=O)/C(=C(\C)NNC(=O)c2ccncc2)C(=O)N=C1O 1271456 YQTJWLXKSWLAFK-PKNBQFBNSA-N 329.316 0.059 50 40 ECGB CCn1nc(C(=O)NNC(=O)c2ccncc2)c2ccccc2c1=O 5173800 VJKCUTUBUJMPFM-UHFFFAOYSA-N 337.339 0.886 50 40 ECGB O=C(CCl)Nc1ccc(N2CCOCC2)nc1N1CCOCC1 33380933 SJYBNCVQHQLDMW-UHFFFAOYSA-N 340.811 0.932 50 40 ECGB O=C(CSc1nnnn1Cc1ccco1)NNC(=O)C1CCC1 69665762 FKKKUVVQTIHUPV-UHFFFAOYSA-N 336.377 0.354 50 40 ECGB O=C(COC(=O)c1ccccn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 7785535 KBWAHVHLQKIQEW-UHFFFAOYSA-N 344.283 0.608 50 40 ECGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C1\CCc2ccccc21 60367 GOHUFSKQOSFUIJ-WOJGMQOQSA-N 338.331 0.621 50 40 ECGB COCc1c(C(=O)NN=C2CCCCCC2)nnn1-c1nonc1N 6905665 ZBPBCFIXWFBQLI-UHFFFAOYSA-N 348.367 0.819 50 40 ECGB CC(C)(CC(=O)NNC(=O)C(=O)NC1CC1)NC(=O)OC(C)(C)C 71916115 XLWGKIDWFROZLR-UHFFFAOYSA-N 342.396 0.106 50 40 ECGB Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)CC#N)C(=O)NC2=S)cc1 408763754 ORPOSZSTDRFTIA-FQKVVYMKSA-N 343.368 0.375 50 40 ECGB Cc1ccc(C(=O)NNC(=O)NCCNC(=O)c2ccco2)cc1 29327158 KXZUZYOTKOPPDT-UHFFFAOYSA-N 330.344 0.962 50 40 ECGB CC(/C=N/NC(=O)CSc1n[nH]c(=O)[nH]c1=O)=C\c1ccccc1 13638506 CKANJGIRYWGERQ-YHQUMQLZSA-N 345.384 0.756 50 40 ECGB CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)NC(S)=C2C(N)=O 33726973 QBGSGXNFARBYEN-UHFFFAOYSA-N 337.405 0.149 50 40 ECGB O=C(NNC(=O)[C@H]1CCCN(c2cnccn2)C1)c1ccccn1 44908250 XGHKNWGRJSTVBR-LBPRGKRZSA-N 326.360 0.549 50 40 ECGB CC(=O)NNC(=S)N/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 6487268 TUWZOJKCBYJYLB-XYOKQWHBSA-N 338.414 0.649 50 40 ECGB O=P(N1CC1)(N1CC1)N1CCN(P(=O)(N2CC2)N2CC2)CC1 19685803 RWNNRGBCWXOVAC-UHFFFAOYSA-N 346.312 0.083 50 40 ECGB in-vitro CN1C(=O)/C(=N\NC(=O)C(=O)Nc2ccc(O)cc2)c2ccccc21 100511457 QXXRYGMOWORUBO-RGEXLXHISA-N 338.323 0.828 50 40 ECGB C#CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1OCC 408997108 RDONNOACKUZHHX-UYRXBGFRSA-N 345.399 0.880 50 40 ECGB CO[C@@H]1O[C@H](CO)[C@@H]2N[P@](=O)(N(CCCl)CCCl)O[C@@H]21 301054490 UZIIQROSYBBMCZ-YVYAFRQESA-N 349.151 0.595 50 40 ECGB C[C@H]1C[C@H]1C(=O)NCC(=O)NNC(=O)c1cc(Br)c[nH]1 23187565 GGIAOZIBGWLHOU-POYBYMJQSA-N 343.181 0.310 50 40 ECGB O=C1NC(=S)N(C2CC2)C(=O)/C1=C\NNC(=O)c1ccccc1 2373369 NXDJHZGEYMLSHR-FLIBITNWSA-N 330.369 0.211 50 40 ECGB O=C(COc1ccc2ccccc2c1)NN=C1C(=O)NC(=O)NC1=O 3034247 AWMQTWZVDVODAY-UHFFFAOYSA-N 340.295 0.057 50 40 ECGB CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)ccc1O 58884582 FCIGZOSJZQBTDE-RGVLZGJSSA-N 342.355 0.952 50 40 ECGB C=CCNC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21 199413432 KEUVGKNSTGPSKF-UHFFFAOYSA-N 328.372 0.871 50 40 ECGB CCN(CC)C(=O)CN1C(=O)/C(=C(/C#N)C(N)=O)c2ccccc21 12411513 GJZCIIQSJPZALV-QINSGFPZSA-N 326.356 0.664 50 40 ECGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccccc1O 3009268 XBSUPVNISDMPEH-DJKKODMXSA-N 341.323 0.887 50 40 ECGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccccc1C(=O)O 100487604 QEZDAOFOVCKZHQ-UYRXBGFRSA-N 342.311 0.354 50 40 ECGB CCc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)NCCO)cc1 4387212 BAEMKSKDBICMBL-YBFXNURJSA-N 334.376 0.178 50 40 ECGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccnc2)c2ccccc21 5982202 YXQPEUDBDBQNTM-QNGOZBTKSA-N 337.339 0.308 50 40 ECGB CC[C@@H](C)N1C(=O)/C(=C/NNC(=O)c2ccncc2)C(=O)NC1=S 6554854 ILEULSHQMGAUCF-FJUNDMEASA-N 347.400 0.242 50 40 ECGB COCCCNC(=O)CC(=O)N/N=C/c1ccc(OC)c(OC)c1 59459647 BOMUFPTWSKFVKW-WOJGMQOQSA-N 337.376 0.697 50 40 ECGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc2c(c1)OCO2 25581680 KBQVWYVYDNJCOK-OVCLIPMQSA-N 332.276 0.721 50 40 ECGB CN(C)N(C(=O)c1cnc2ccccc2n1)[C@H]1CCS(=O)(=O)C1 12778858 DJFLBGNSVAIEDC-NSHDSACASA-N 334.401 0.736 50 40 ECGB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NNC(=O)c1ccccn1 12893429 HMMLCXODXMMQGF-UHFFFAOYSA-N 339.355 0.652 50 40 ECGB CC(=O)N1C(=O)[C@@]2(C(=O)N(C(C)=O)C(N)=C2C#N)[C@@]2(C)CCCC=C12 96336624 OWNMIOKIFHIOJB-IRXDYDNUSA-N 342.355 0.518 50 40 ECGB CO[C@@H]1O[C@H](CO)[C@@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@H]21 301054488 UZIIQROSYBBMCZ-KZCILJGLSA-N 349.151 0.595 50 40 ECGB Cc1cccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)n1 44907278 OKNISFLQLVCOSP-UHFFFAOYSA-N 347.400 0.758 50 40 ECGB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1ccccc1O 409381052 DGHQRFATBDYTHG-YMEQNVIZSA-N 332.312 0.198 50 40 ECGB CN1CCC(=NNC(=O)CN(c2ccccc2)S(C)(=O)=O)CC1 20207408 VHQHTXXGSVGONL-UHFFFAOYSA-N 338.433 0.650 50 40 ECGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 281046 VRCAOQJDGLLMKJ-LLVKDONJSA-N 344.758 0.956 50 40 ECGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 1893609 QWGFBHZEQKIBJI-VIFPVBQESA-N 327.256 0.602 50 40 ECGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 2449183 AWTYFQJESBHIPF-VIFPVBQESA-N 327.256 0.602 50 40 ECGB N#Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 7428744 RJIZPFAMPZGARM-UHFFFAOYSA-N 345.336 0.910 50 40 ECGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)s1 408730136 FRZPHISLSHYXCE-GIDUJCDVSA-N 347.356 0.918 50 40 ECGB CC(C)c1ccc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)cc1 56120 DAMDBEAZQDMTAX-REZTVBANSA-N 330.348 0.144 50 40 ECGB COCCNC(=S)NNC(=O)COc1ccccc1[N+](=O)[O-] 7062299 SICNRUOGGCWYOA-UHFFFAOYSA-N 328.350 0.115 50 40 ECGB CN(C)N(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 25042791 JRDLTBPIGPUFQT-GFCCVEGCSA-N 327.362 0.701 50 40 ECGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccccc1C(=O)O 1951185 FUVWHGQHFXXRTH-VIZOYTHASA-N 346.255 0.975 50 40 ECGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1ccc(O)c(Cl)c1 2220643 UZSGJKCVTFZRHF-GBYSLYJZSA-N 325.752 0.791 50 40 ECGB C[C@H](C(=O)NNC(=O)c1cc(Br)c[nH]1)n1cncn1 29758946 RPYBLONKCAIMTC-ZCFIWIBFSA-N 327.142 0.391 50 40 ECGB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)c1ccccc1 44838604 CIXYPPIHGXKYEE-UHFFFAOYSA-N 337.357 0.619 50 40 ECGB COc1cc(C(=O)NNc2nnc(C)c(=O)[nH]2)ccc1OC(F)F 11334799 XYVLRRTWZMTKAE-UHFFFAOYSA-N 341.274 0.840 50 40 ECGB CN(C)S(=O)(=O)c1ccc(CNCC(=O)Cl)c2nonc12 98091801 RQVMDRQPSGNKHM-UHFFFAOYSA-N 332.769 0.328 50 40 ECGB COc1ccc(OCC(=O)NNC(=O)C(=O)N2CCCCC2)cc1 5513837 BUFJRQNPLZQXPS-UHFFFAOYSA-N 335.360 0.234 50 40 ECGB Cc1ccc(S(=O)(=O)NC[C@]23C=C[C@H](O2)[C@@H]2C(=O)OC(=O)[C@@H]23)cc1 100396602 HMJMLQYLJOZVAQ-JFILPPLUSA-N 349.364 0.297 50 40 ECGB C[C@@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CN(C)CCO3)cc2C1 81229750 GBUBOLUCYYQICU-PWSUYJOCSA-N 337.445 0.965 50 40 ECGB COc1ccc(OCC(=O)NNc2nnc(C(C)(C)C)c(=O)[nH]2)cc1 22853771 PDJSGIAHGBISDN-UHFFFAOYSA-N 347.375 0.993 50 40 ECGB COc1ccc(Cl)cc1C(=O)NNc1cc(=O)n(C)c(=O)n1C 2706516 WEWWIKLWWDSGEM-UHFFFAOYSA-N 338.751 0.503 50 40 ECGB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=O)C1CC1 54254931 YBFDXKJYWIBJHA-UHFFFAOYSA-N 337.401 0.607 50 40 ECGB Cn1cc(Br)cc1C(=O)NNC(=O)c1ccc[n+]([O-])c1 22024156 MQXPYJVMQQGKLZ-UHFFFAOYSA-N 339.149 0.496 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)CCn1nc([N+](=O)[O-])cc1C 252479739 BLYMQHUVEJYFMH-VIZOYTHASA-N 337.315 0.821 50 40 ECGB COc1cccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)c1 207074 ORTXKDXMHBADQY-FRKPEAEDSA-N 342.319 0.313 50 40 ECGB CCOc1cc(/C=N/NC(=O)C(N)=O)cc(Br)c1O 3444061 WGCFOSRAWHJGDQ-LHHJGKSTSA-N 330.138 0.489 50 40 ECGB O=C(CN1CCOCC1)N/N=C/c1ccc(OC2CSC2)cc1 408720198 VSKBSHMPDIOANF-RQZCQDPDSA-N 335.429 0.963 50 40 ECGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(C#N)cc1 3087677 CZGZTQUQZOQSHU-REZTVBANSA-N 337.303 0.177 50 40 ECGB O=C(Cn1nnc2ccccc2c1=O)NNC(=O)c1ccc(F)cc1 8328930 CZAOMIIRTPCLSP-UHFFFAOYSA-N 341.302 0.392 50 40 ECGB O=C(NCc1ccccn1)C(=O)N/N=C/c1ccc2c(c1)OCO2 13152338 BTHRGQGJWJZIRA-UFWORHAWSA-N 326.312 0.577 50 40 ECGB COc1cc(/C=N/NC(=O)Cc2nnc(NC(C)=O)s2)ccc1O 1958356 XCYIKOXOWIHZHU-VIZOYTHASA-N 349.372 0.904 50 40 ECGB O=C(CCn1ncc(=O)c2ccccc21)NNC(=O)c1ccco1 15517124 MCWYQVOMWDMYPC-UHFFFAOYSA-N 326.312 0.841 50 40 ECGB Cn1c(/C=N\N(CCCl)CCCl)nc2c1c(=O)[nH]c(=O)n2C 4715210 WGBGBUKBVUGCAJ-CHHVJCJISA-N 347.206 0.074 50 40 ECGB COc1cccc(NC(=O)C(=O)[C@H](C(=O)NN)c2ccccc2)c1 104975375 HGJXCZRFXXEDGH-CQSZACIVSA-N 327.340 0.977 50 40 ECGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)c(OC)c1 58884570 XDRYYZUOGUIZPH-RGVLZGJSSA-N 342.355 0.865 50 40 ECGB COc1ccc(CC(=O)NNC(=S)NC(=O)c2cccnc2)cc1 2448178 HRSBUDQDZCRYCG-UHFFFAOYSA-N 344.396 0.968 50 40 ECGB COc1ccc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1F 12933975 AOWBBNMRFRTZEJ-NSHDSACASA-N 330.381 0.940 50 40 ECGB Cc1ccsc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1C 1879667 RLYROKFLGKYQHI-LHHJGKSTSA-N 332.349 0.675 50 40 ECGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1 58874014 VSJLMLUVDGGYBJ-LICLKQGHSA-N 333.344 0.311 50 40 ECGB CC(C)(C)NC[C@H](O)COc1cccc2[nH]cc(CC(=O)NN)c12 5478640 GZIJUYIRVIYMFF-LBPRGKRZSA-N 334.420 0.828 50 40 ECGB CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(C3CC3)[nH]n2)c1 31672783 CQXQZZHZZAUODS-UHFFFAOYSA-N 348.384 0.765 50 40 ECGB CCOC(=O)N/N=C(C)/C(=N\O)c1ccc(S(N)(=O)=O)cc1 255187662 FZYGTNUHRXTWSR-BDHXRYBTSA-N 328.350 0.634 50 40 ECGB O=C(NN[C@H]1CC(=O)N(CCc2ccccc2)C1=O)c1ccncc1 554021 PABBIVZTDKJQBP-HNNXBMFYSA-N 338.367 0.686 50 40 ECGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN(C)C)CC2)cc1 8326953 SCFOGRFEHCIGRW-UHFFFAOYSA-N 325.434 0.989 50 40 ECGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1cccnc1 25761537 VANFJHHPWFCXMW-FRKPEAEDSA-N 327.308 0.090 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)CCn1ncc([N+](=O)[O-])c1C 252488268 IOJQBQISKNVPRS-GIDUJCDVSA-N 337.315 0.821 50 40 ECGB COCc1nnn(-c2nonc2N)c1C(=O)N/N=C/[C@H]1CC=CCC1 8873280 ALYQDCSTHRGJPV-UVSFYCKTSA-N 346.351 0.451 50 40 ECGB CC(C)[C@@H](NC(N)=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1 27197714 KIHRDPMAXWVCLL-BXKDBHETSA-N 340.355 0.433 50 40 ECGB CSCC[C@@H](NS(=O)(=O)c1cc(C)cc(C)c1)C(=O)NN 64219806 WWKAIFZUMFJKRW-GFCCVEGCSA-N 331.463 0.693 50 40 ECGB CSCC[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)NN 5101031 VCPCJDKVNZZUMF-JTQLQIEISA-N 340.405 0.691 50 40 ECGB COc1ccc(C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)C)cc1OC 6778702 YLQRTEAYPLSBPG-LBPRGKRZSA-N 338.364 0.158 50 40 ECGB O=P(NCCCO)(NCCCO)N(CCCl)CCCl 77273442 VZNVPTKBTWQELE-UHFFFAOYSA-N 336.200 0.818 50 40 ECGB in-vitro Cc1cnc(C(=O)N/N=C2\N=C3C(=CNN3C(C)(C)C)CN2)cn1 101045412 BCCPFCOUYGMYCT-UHFFFAOYSA-N 328.380 0.290 50 40 ECGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1Cc2ccccc2O1 12847081 UKCCNJXBPSCHMA-JKSUJKDBSA-N 340.335 0.978 50 40 ECGB O=C(NNC(=O)c1cn[nH]n1)c1ccnc(OCc2ccccc2)c1 69737604 IGWMAFYDWRVPOB-UHFFFAOYSA-N 338.327 0.854 50 40 ECGB Cc1ccc(SCC(=O)NNC(=O)c2ccc(=O)n(C)n2)cc1 47646690 REUPJDSBMCCEHJ-UHFFFAOYSA-N 332.385 0.642 50 40 ECGB C#CCN1CCCC[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 44979616 LXOBHJREGSMMFX-CYBMUJFWSA-N 329.356 0.664 50 40 ECGB Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1cccc(F)c1F 71284037 DMBXLPOZBQTXCX-UHFFFAOYSA-N 330.316 0.630 50 40 ECGB Cc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)on1 14118560 ZWKJECULCBCSFO-UHFFFAOYSA-N 337.361 0.351 50 40 ECGB O=[N+]([O-])c1cccc(S(=O)(=O)NS(=O)(=O)CCCCl)c1 255188684 KUULBNAEZNKUOT-UHFFFAOYSA-N 342.782 0.832 50 40 ECGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1 59959961 QVBHLUJRRATYQE-YBFXNURJSA-N 346.387 0.403 50 40 ECGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 37868840 JUFIRDNDCTXCOI-VCHYOVAHSA-N 327.300 0.756 50 40 ECGB Cn1cc(Br)cc1C(=O)NNC(=O)c1cnsn1 44972876 TZWXAERFAJZVAB-UHFFFAOYSA-N 330.167 0.714 50 40 ECGB O=C(/C=C/c1ccco1)NCC(=O)N/N=C1/C(=O)Nc2ccccc21 15884946 RSHYBIOABAZEJQ-BQYQJAHWSA-N 338.323 0.882 50 40 ECGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1cccc(C)c1 5343474 MKHDSKGWUHILLH-XDHOZWIPSA-N 334.376 0.578 50 40 ECGB COc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409382583 UKUTXWBENUBYSL-AUZPSNTRSA-N 330.340 0.979 50 40 ECGB Nc1nonc1C(=O)N/N=C/c1cc(Br)c(O)cc1O 51602 OQVNRDXNFRKGNB-QLKAYGNNSA-N 342.109 0.589 50 40 ECGB CCNC(=S)NNC(=O)CN1CCN(Cc2ccccc2)CC1 22860246 RCVZGQXBTCLIBB-UHFFFAOYSA-N 335.477 0.319 50 40 ECGB CC(=O)OCC1=C(COC(C)=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12 101045128 JGSFOWGOKVEOQX-ABTPSQJZSA-N 346.335 0.787 50 40 ECGB COc1cc(/C=N/NC(=O)C(N)=O)ccc1OC(=O)c1ccccc1 6181158 TWNUFIIVISXQMN-VXLYETTFSA-N 341.323 0.850 50 40 ECGB O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1 318695 BHYYPSUUVOBYSO-UHFFFAOYSA-N 337.313 0.924 50 40 ECGB C[C@H]1C[C@H](C)/C(=N/NC(N)=O)[C@H]([C@H](O)C[C@@H]2CCC(=O)NC2=O)C1 102801804 GDXCTNPDYIIQKV-VLHZHEHMSA-N 338.408 0.497 50 40 ECGB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)c1 33743648 UTGFQMBWZBXITN-JTQLQIEISA-N 343.405 0.094 50 40 ECGB CS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)NN)C2)c(Cl)c1 15443568 WEQNWRGUHIBNSQ-SECBINFHSA-N 331.825 0.950 50 40 ECGB Nc1ncnc2[nH]c(SSc3nc4c(N)ncnc4[nH]3)nc12 2343058 MOARDHPGEASWDR-UHFFFAOYSA-N 332.378 0.983 50 40 ECGB COc1cc2c(CCNC(C)=O)c[nH]c2cc1OOS(=O)(=O)O 113622512 HQMZLKFUKAJPOQ-UHFFFAOYSA-N 344.345 0.968 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@@H](C)n1nc([N+](=O)[O-])cc1C 252511279 ZWGCVQKCWKFXIV-UXWFALKESA-N 337.315 0.992 50 40 ECGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(F)cc1 19866767 RTRCIHGFGIHIRQ-XDHOZWIPSA-N 336.367 0.114 50 40 ECGB CCc1ccc(OCC(=O)NNC(=O)[C@@H](NC(N)=O)C(C)C)cc1 6778723 HNKUKCAIRHDCFO-AWEZNQCLSA-N 336.392 0.468 50 40 ECGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)NCc2cccnc2)c1 37868838 GKPNDVSGXALYOS-RGVLZGJSSA-N 342.355 0.865 50 40 ECGB CN(C)N(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 12778791 IINWHKSAZPDHMH-LBPRGKRZSA-N 327.362 0.701 50 40 ECGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CN1CSCC1=O 8029635 RCYGKLPGTKZOCY-SECBINFHSA-N 341.364 0.273 50 40 ECGB Cc1cc(=O)[nH]c(SCC(=O)NNC(=O)Cc2ccccc2)n1 18116916 JFDZMGFKZXETTI-UHFFFAOYSA-N 332.385 0.561 50 40 ECGB CC(C)CNC(=O)CC(=O)N/N=C\c1ccc(OCC(N)=O)cc1 59960421 SPAGAQMEWCJMDZ-OCKHKDLRSA-N 334.376 0.163 50 40 ECGB O=C(NNC(=O)c1ccccn1)c1ccc(N2CCOCC2)cc1 58429849 ZCCBNUXEEODPLN-UHFFFAOYSA-N 326.356 0.993 50 40 ECGB CCCc1nnc(SCC(=O)NNC(C)=O)n1C[C@H]1CCCO1 35313820 LWGJNJOCKIRAEI-LLVKDONJSA-N 341.437 0.669 50 40 ECGB O=C(NNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccncc1 12502050 RGOHIWPZHKQGPU-UHFFFAOYSA-N 345.340 0.939 50 40 ECGB CCOC(=O)[C@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]1C(=O)NN 12859597 SUGJHUKBAKPJNA-AXFHLTTASA-N 325.752 0.694 50 40 ECGB COCc1n[nH]c2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 4102888 VHHLXVVCDJNDLE-QGZVFWFLSA-N 337.339 0.905 50 40 ECGB COc1cccc(N2C(=O)C[C@H](NNC(=O)c3cccnc3)C2=O)c1 207471 ASPFJMOWVYTOMA-AWEZNQCLSA-N 340.339 0.657 50 40 ECGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1ccncc1 226857298 IDZBRAUDIUTPLT-UHFFFAOYSA-N 335.341 0.712 50 40 ECGB COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 157756977 QRVYAJSLUBOLDY-WDEREUQCSA-N 339.822 0.378 50 40 ECGB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NN)C1 9974718 WVRNNDCUTGNTNB-LLVKDONJSA-N 327.406 0.394 50 40 ECGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1 25580814 OXYUZVSTWAWHII-MDWZMJQESA-N 348.279 0.224 50 40 ECGB O=S1(=O)C[C@H](Cl)[C@H](NC(=S)OCCCCCCO)C1 40167932 YAENFYNORYTSGN-VHSXEESVSA-N 329.871 0.835 50 40 ECGB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 9305245 HEZKANAEKSLIES-YIZRAAEISA-N 340.829 0.420 50 40 ECGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)Cc1cc(O)n[nH]1 17824164 XVRAOURDACPVBS-LZYBPNLTSA-N 334.332 0.834 50 40 ECGB CCn1ncc(/C=N/NC(=O)CCn2nc([N+](=O)[O-])cc2C)c1F 252495824 PCHOWTGPNMEURU-VIZOYTHASA-N 337.315 0.996 50 40 ECGB Cc1cc(C)cc(N2CC[C@H](C(=O)NNC(=O)[C@@H]3CCCO3)C2=O)c1 53508776 QSYAHDDKXXMUPJ-CABCVRRESA-N 345.399 0.983 50 40 ECGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 6953938 BEXWDHOYGUZLII-YBFXNURJSA-N 346.387 0.274 50 40 ECGB O=C(C[C@H]1CCS(=O)(=O)C1)N/N=C/c1cccc([N+](=O)[O-])c1 6058115 LWOYSUJWMCVENS-GYBQTFJISA-N 325.346 0.870 50 40 ECGB CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)C2CC2)c1 5659519 BLAFVWLJWBOPMG-UHFFFAOYSA-N 342.446 0.665 50 40 ECGB Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2C[C@@H](O)CCl 41575 SGMHHYJTZBBAMU-VIFPVBQESA-N 341.799 0.013 50 40 ECGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc2c(c1)OCO2 25580820 SEMKSBRZRDIBCY-NTUHNPAUSA-N 333.264 0.116 50 40 ECGB Cc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409382659 MYAGNZNSGXXCFP-IPJQOSJUSA-N 330.340 0.800 50 40 ECGB O=C1NC(=S)N=C(O)/C1=C\NNC(=O)c1cccc([N+](=O)[O-])c1 3067000 LOAUAVQGMQIFPN-UHFFFAOYSA-N 335.301 0.084 50 40 ECGB CC(=O)O[C@H]1CO[C@@H](Br)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5018932 AVNRQUICFRHQDY-LNFKQOIKSA-N 339.138 0.533 50 40 ECGB in-vitro COCCCNC(=O)CC(=O)N/N=C/c1cc(OC)ccc1OC 59459646 XLKNUUVWDKBVPL-WOJGMQOQSA-N 337.376 0.697 50 40 ECGB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H]1CCCO1 84409398 YWAIGJCRTQTBJX-QWRGUYRKSA-N 329.397 0.862 50 40 ECGB N#Cc1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c1 157771863 MVIKLOZEHDBTBU-GHMZBOCLSA-N 334.806 0.241 50 40 ECGB CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 7782556 OQBNECVEDIOLFD-LICLKQGHSA-N 336.348 0.976 50 40 ECGB Cn1nnnc1SCC(=O)/C(C#N)=C1/NN=C2CCCCCN21 105195918 JUFMUJVLALLLJQ-XFXZXTDPSA-N 332.393 0.399 50 40 ECGB COc1ccc(C(=O)N/N=C(\C)CC(=O)N2CCN(C=O)CC2)cc1 4697784 OPUXTQQENYINGC-QGOAFFKASA-N 346.387 0.492 50 40 ECGB O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc(F)cc1 23078197 HCJRLZWSMSZBHA-UHFFFAOYSA-N 348.334 0.451 50 40 ECGB CC(=NNC(=O)c1nc(N(C)C)nc(N(C)C)n1)c1ccc(N)cc1 252444362 KQUDWEKYJNGDBE-UHFFFAOYSA-N 342.407 0.740 50 40 ECGB CCn1ncc(/C=N/NC(=O)Cc2ccc(-n3cnnn3)cc2)c1F 252484729 GFUIHSGIUQUZMW-CAOOACKPSA-N 342.338 0.711 50 40 ECGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(O)c2)s1 408731331 LUQKHMZPTOCDCJ-OVCLIPMQSA-N 349.372 1.505 50 40 ECGB Cc1ccnc(N2CCC(C(=O)NNC(=O)c3ccncc3)CC2)n1 4965971 ACTARYJNVMLFJA-UHFFFAOYSA-N 340.387 0.858 50 40 ECGB CCOC(=O)c1ccc(NC(=O)C(=O)NN=C2CCN(C)CC2)cc1 58176932 KMYDBMRWIVSFPO-UHFFFAOYSA-N 346.387 1.000 50 40 ECGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccncc1 25761513 MUHVRUWXESOOAT-FRKPEAEDSA-N 327.308 0.090 50 40 ECGB O=C(NNC(=O)c1cccnc1Oc1ccccc1)C(=O)NC1CC1 65476722 PEKQTKXRDCYOSA-UHFFFAOYSA-N 340.339 0.914 50 40 ECGB Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc[nH]1 44875031 XRECQSKCDMLBKG-UHFFFAOYSA-N 335.389 0.691 50 40 ECGB COc1ccccc1C(=O)NNC(=O)[C@@H]1CN2CC3CC2(CO1)C3 1616040535 KPGMUDJBJNJDCT-WKXXDYOBSA-N 331.372 0.319 50 40 ECGB O[C@@H](CI)[C@@H](O)CI 5081274 MRDIDHLFTJNRDW-IMJSIDKUSA-N 341.914 0.578 50 40 ECGB O=C(NNC(=S)NCc1ccc2c(c1)OCO2)c1cnccn1 6560443 QJONGGRDPYPUPL-UHFFFAOYSA-N 331.357 0.514 50 40 ECGB CCC(=O)NNC(=O)CCC(=O)N1CCN(c2ccccc2)CC1 4688329 YXCFNEDMJYMJIF-UHFFFAOYSA-N 332.404 0.673 50 40 ECGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(CO)cc2)cc1 44980480 BAWCCQPUGRNJIM-UHFFFAOYSA-N 348.380 0.657 50 40 ECGB CN(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccccc1 6545166 WPLGTMDEEXIGLY-GZTJUZNOSA-N 332.385 0.852 50 40 ECGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)[C@@H](C)NC(N)=O)cc1 32969066 GGJOGLVKWFHZOV-GFCCVEGCSA-N 343.387 0.912 50 40 ECGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1cccnc1 2275391 SCEVBIUWFHLRCO-FULVDIRDSA-N 340.339 0.488 50 40 ECGB CC(C)CC[C@@](CCC(=O)NN)(C(=O)NN)c1csc(N)n1 2334328 RWWJNWHRMJOWMD-ZDUSSCGKSA-N 328.442 0.159 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 104405730 FPFPZFKDZRGUMX-QUVIIPFCSA-N 347.371 0.420 50 40 ECGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 9232828 FGYIQVHXICVTKD-JRUYLCMPSA-N 336.304 0.046 50 40 ECGB CC(C)(SSC(C)(C)[C@H]1NC(=O)NC1=O)[C@H]1NC(=O)NC1=O 1581673 ATAHDNOLIIJRRR-WDSKDSINSA-N 346.434 0.341 50 40 ECGB O=C(NCc1nc2ccccc2[nH]1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 575421703 LJUPVTSDYBPIDD-GZMMTYOYSA-N 342.808 0.767 50 40 ECGB COc1ccc(C(=O)CN[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1OC 575421265 HOKBRRYKJHMTOR-GHMZBOCLSA-N 347.820 0.881 50 40 ECGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)Nc1nonc1N 1511495 RTELCJKRGFNQAH-GIDUJCDVSA-N 336.308 0.833 50 40 ECGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccccc1O 5774775 LCVQMNXIXUEBIC-MHWRWJLKSA-N 333.369 0.821 50 40 ECGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1cccnc1 2275393 SCEVBIUWFHLRCO-UPWAIKHBSA-N 340.339 0.488 50 40 ECGB COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1OC 59515812 KMUOWPKTBZFPMK-BEAUZRKQSA-N 335.360 0.449 50 40 ECGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)cc1 243684 AVEXGSXFFICFAX-FRKPEAEDSA-N 342.319 0.313 50 40 ECGB O=C(NC(=S)NNC(=O)c1cnccn1)c1ccc(Cl)nc1 4689875 MDNXXDHGSJNWDA-UHFFFAOYSA-N 336.764 0.474 50 40 ECGB CC(=O)OCC1=C(COC(C)=O)[C@H]2[C@@H]1[C@@H]1C=C[C@@H]2[C@H]2C(=O)OC(=O)[C@H]12 101045131 JGSFOWGOKVEOQX-XRHQITBWSA-N 346.335 0.787 50 40 ECGB NC(=O)c1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1 217380274 BQEUMAOVTJMPDR-LLVKDONJSA-N 330.793 0.544 50 40 ECGB Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)C(F)(F)F)cc1 1572541 VNNDXHBYDATQJM-UHFFFAOYSA-N 325.268 0.576 50 40 ECGB N#CCC(=O)NNC(=S)NC(=O)c1ccc(Br)cc1 2064533 QKEMKFQPGNOJSI-UHFFFAOYSA-N 341.190 0.998 50 40 ECGB CN(C)N(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 12818788 CRFXSVUFMKLTSD-JTQLQIEISA-N 327.362 0.701 50 40 ECGB Cc1cc(OCC(=O)NNC(=O)c2ccc(=O)[nH]n2)ccc1Cl 7738141 BCHCJRLHDJTXJV-UHFFFAOYSA-N 336.735 0.572 50 40 ECGB CCc1nnc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)s1 575420542 BUPJSPYIZSMEPD-PHDIDXHHSA-N 340.883 0.791 50 40 ECGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccn2)cc1 3057995 CHDIKBPSUXUNJY-VCHYOVAHSA-N 326.312 0.957 50 40 ECGB O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1cccc(O)c1 409267630 VGVIBDWRUPFCRB-DJKKODMXSA-N 341.323 0.887 50 40 ECGB COc1ccc(S(=O)(=O)N2CCC(C(=O)NN)CC2)cc1C 409352891 ZLUWAYUIKADDBA-UHFFFAOYSA-N 327.406 0.394 50 40 ECGB CC(C)C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 32674006 XDGAKOKZXVUWAC-JTQLQIEISA-N 333.344 0.572 50 40 ECGB COc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1 409382584 UKUTXWBENUBYSL-CDGCEXEKSA-N 330.340 0.979 50 40 ECGB CS(=O)(=O)NCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 47667063 LXXDGXWDFYLIJS-UHFFFAOYSA-N 343.449 0.290 50 40 ECGB C=CCOc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 59515811 FXYAKTNUIYPSDN-SKCQWOFPSA-N 331.372 0.997 50 40 ECGB O=C(NN/C=C1\C(=O)N(C2CC2)C(=S)N=C1O)c1ccncc1 38168344 VGQZGHXTBSNOJK-YFHOEESVSA-N 331.357 0.446 50 40 ECGB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 25259732 GNDJBVOYBDKXEF-QPUJVOFHSA-N 336.348 0.259 50 40 ECGB COCCCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 102601652 BCQBHDWTNJPQCX-ZBJKAAEASA-N 332.194 0.710 50 40 ECGB Cc1ccc(NC(=O)CCC(=O)NNC(=O)/C=C/C(=O)O)c(C)c1 4677322 IFCCGRWAEOCUBN-BQYQJAHWSA-N 333.344 0.810 50 40 ECGB O=C(CCCO)N/N=C1/C(=O)Nc2ccc(Br)cc21 59472627 WFKKILOOQXMACQ-UHFFFAOYSA-N 326.150 0.994 50 40 ECGB O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccccc1 12905143 XDKLPJDFJROFNJ-UHFFFAOYSA-N 330.344 0.312 50 40 ECGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccc(C(=O)O)cc1 5589080 KIFXEKCKKYUZPA-VXLYETTFSA-N 326.312 0.546 50 40 ECGB CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)C(=O)NCCOC 4405628 WCEDEIVLIDMZMQ-UDWIEESQSA-N 348.403 0.832 50 40 ECGB COc1cc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)cc(OC)c1OC 100327019 UOUZOKXKQHDKOA-CPWFCVNUSA-N 348.359 0.675 50 40 ECGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)NCc2ccncc2)c1 58884574 CEIONWCMZAIKJM-RGVLZGJSSA-N 342.355 0.865 50 40 ECGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)C[C@H]1C(=O)NN=C1C 100334318 YRQAWKYBFVCKKB-SXGUVYOMSA-N 348.359 0.675 50 40 ECGB Cc1occc1C(=O)NNC(=O)N1CCN(c2cnccn2)CC1 26150946 IBTJQKXIYYSDRM-UHFFFAOYSA-N 330.348 0.555 50 40 ECGB C/C(=N\NC(=O)c1cc(O)c(O)c(O)c1)c1c(O)cc(C)oc1=O 6796426 HNMNOWWOXPTCHG-FRKPEAEDSA-N 334.284 0.925 50 40 ECGB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 9305243 HEZKANAEKSLIES-CIUDSAMLSA-N 340.829 0.420 50 40 ECGB O=C(NN[C@H]1CC(=O)N(c2cccc(F)c2)C1=O)c1ccccn1 102407353 YQIXLGYPKHUXNT-ZDUSSCGKSA-N 328.303 0.787 50 40 ECGB CO/N=C/C(C#N)=C/C=C\Nc1ccc(S(=O)(=O)N=C(N)N)cc1 17123773 DHEQCZLYCDBKMP-GHXUHTGASA-N 348.388 0.656 50 40 ECGB CCc1nnc(NC(=S)N[C@H]2CS(=O)(=O)C[C@H]2Cl)s1 575420543 BUPJSPYIZSMEPD-RITPCOANSA-N 340.883 0.791 50 40 ECGB COc1cccc(/C=N/NC(=O)C(=O)NCc2ccncc2)c1O 59433907 DYRRVDFBXAWKCR-VXLYETTFSA-N 328.328 0.562 50 40 ECGB COc1ccc(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1OC 9485487 LIZQPNVXOWBILY-QWRGUYRKSA-N 347.820 0.767 50 40 ECGB COc1ccc(N(CC(=O)NN=C(C)C)S(C)(=O)=O)c(OC)c1 408775679 REKAIRBPWYTQCN-UHFFFAOYSA-N 343.405 0.982 50 40 ECGB Cn1cc(Br)cc1C(=O)NNC(=O)NC1CCOCC1 80085789 DDLHTWVRKPBQIY-UHFFFAOYSA-N 345.197 0.911 50 40 ECGB CN(CC(=O)Cl)c1ccc(S(=O)(=O)N(C)C)c2nonc12 2556798 NAIIBGUHMHXMNS-UHFFFAOYSA-N 332.769 0.675 50 40 ECGB in-vitro Cc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)O2 9244020 AEGYIFWXMFXGER-HNNXBMFYSA-N 338.283 0.951 50 40 ECGB CCCN1C(=O)/C(=N/NC(=O)CN2CCOCC2)c2ccccc21 6879387 LXMBHAZGCQHBSE-KNTRCKAVSA-N 330.388 0.596 50 40 ECGB Cc1cccc(C(=O)NCC(=O)NNC(=O)c2ccccc2O)c1 5172030 WQZJUDNHZBCTIE-UHFFFAOYSA-N 327.340 0.892 50 40 ECGB C[C@@H]1C[C@@H]1C(=O)NCC(=O)NNC(=O)c1cc(Br)c[nH]1 23187558 GGIAOZIBGWLHOU-SVRRBLITSA-N 343.181 0.310 50 40 ECGB N#CCC(=O)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 6240745 YXSAGEDCMYGPEU-LYQMGENXSA-N 329.341 0.066 50 40 ECGB O=C(Cc1ccccc1)NNC(=O)CN1C(=O)c2ccccc2C1=O 63248 LCCZPWUJEHEQEN-UHFFFAOYSA-N 337.335 0.673 50 40 ECGB COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1OC 17441259 SNVSEAPYRVCXNJ-RGVLZGJSSA-N 342.355 0.865 50 40 ECGB O=C(NN[C@@H]1CC(=O)N(CCc2ccccc2)C1=O)c1ccncc1 100161616 PABBIVZTDKJQBP-OAHLLOKOSA-N 338.367 0.686 50 40 ECGB Cc1nn(C)c(Cl)c1/C=N/NC(=O)Cc1cc(=O)[nH]c(=S)[nH]1 40479912 QFYLXGOJUNLSDF-LHHJGKSTSA-N 340.796 0.821 50 40 ECGB COCCNC(=S)NNC(=O)COc1cccc2cccnc12 408585329 DQFFECAGWTXOGI-UHFFFAOYSA-N 334.401 0.755 50 40 ECGB O=C1NC(=S)N=C(O)/C1=C/NNC(=O)c1ccc([N+](=O)[O-])cc1 3066997 HRJHQIMJQKJYSH-UHFFFAOYSA-N 335.301 0.084 50 40 ECGB C=CCNC(=O)CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 5512433 ZKJXHTQSWPSXRP-VCHYOVAHSA-N 335.360 0.855 50 40 ECGB CC1=CC(=O)/C(=C(/C)NNC(=O)c2cc(C(F)(F)F)n[nH]2)C(=O)O1 101540174 YZCDKLMNZMRDEC-UXBLZVDNSA-N 344.249 0.967 50 40 ECGB CCn1ccnc1P(=O)(c1nccn1CC)c1nccn1CC 103707523 LEFNVMDRDNURHY-UHFFFAOYSA-N 332.348 0.975 50 40 ECGB O[C@H](CI)[C@@H](O)CI 5081270 MRDIDHLFTJNRDW-ZXZARUISSA-N 341.914 0.578 50 40 ECGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1 59515815 YASVLKRWVYQGMD-AGZSBTIMSA-N 335.360 0.449 50 40 ECGB CCOC(=O)/C(CS(=O)(=O)c1ccc(Cl)cc1)=N\NC(N)=O 6463282 TUWWDGWJJMHEHT-GDNBJRDFSA-N 347.780 0.701 50 40 ECGB O=C(Cc1c(Cl)cccc1Cl)NNC(=O)Cn1cncn1 7991070 IVWDIWBCZZCFQK-UHFFFAOYSA-N 328.159 0.975 50 40 ECGB O=S1(=O)C[C@@H](Cl)[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1 3623550 ZETDGWIGXBKOLX-ZJUUUORDSA-N 327.786 0.508 50 40 ECGB Cn1nnc2cc(S(=O)(=O)NNC(=O)CC(C)(C)C)ccc21 585141418 VMHAAHWWKMBDNJ-UHFFFAOYSA-N 325.394 0.714 50 40 ECGB CCOC(=O)OC(=O)CNC(=O)CN1C(=O)c2ccccc2C1=O 104081584 WKDYHHHWDZXMPD-UHFFFAOYSA-N 334.284 0.099 50 40 ECGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1cccc(O)c1 25762115 MSFYUPWXNBECFF-FRKPEAEDSA-N 342.319 0.401 50 40 ECGB Cc1occc1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 31489026 JIUUWRCWYCEEKU-UHFFFAOYSA-N 340.361 0.241 50 40 ECGB CC1CCN(c2nc3ccccn3c(=O)c2/C=N/NC(N)=O)CC1 1504338 WZTRPWSCZCKHGS-VCHYOVAHSA-N 328.376 0.933 50 40 ECGB CS(=O)(=O)c1cccc(OCC(=O)NNC(=O)c2ccccn2)c1 44973534 AJLBCKDOWSFMHU-UHFFFAOYSA-N 349.368 0.325 50 40 ECGB Cn1cnnc1SCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 12532872 VGCOXIZLALVYHV-UHFFFAOYSA-N 336.333 0.277 50 40 ECGB COc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCOCC1 3886104 KSAKMQSZLSFOPS-UHFFFAOYSA-N 348.808 0.893 50 40 ECGB COC(=O)N[C@H](C(=O)NNC(=O)CNc1ccc(C)cc1)C(C)C 66619894 XHILBEVHCWMUCP-AWEZNQCLSA-N 336.392 0.935 50 40 ECGB N/C(=N\[N+](=O)[O-])N1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1 33355202 UCMQGETTYLSNSU-UHFFFAOYSA-N 338.280 0.218 50 40 ECGB NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[N+](=O)[O-] 8637312 GVESEQVZGINUSC-CYBMUJFWSA-N 328.328 0.926 50 40 ECGB COCc1c(C(=O)N/N=C/c2ccc(C)o2)nnn1-c1nonc1N 1879764 NODROXCNLRMNPD-PJQLUOCWSA-N 346.307 0.044 50 40 ECGB C/C=C/Cn1c(SC[C@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 13633405 IJHFZNPXBKXENX-MPJRPATESA-N 344.824 0.691 50 40 ECGB COC[C@@H](C)NC(=O)CSC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1 14014516 OKTZYBXZDUOJHG-ZJUUUORDSA-N 336.417 0.902 50 40 ECGB CCn1cc(C(=O)NN)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 4817378 BSSGBHXBTYFRSG-UHFFFAOYSA-N 347.394 0.516 50 40 ECGB N#CC(C#N)=CN1CCNC(=O)[C@H]1CC(=O)OCCc1ccccc1 10335035 SLQUUOOUVVRCLE-MRXNPFEDSA-N 338.367 0.894 50 40 ECGB NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc[nH]2)ccc1Cl 44870980 XZLXWDGUFYCHAN-UHFFFAOYSA-N 342.764 0.390 50 40 ECGB CC(C)(C)CC(=O)NNS(=O)(=O)c1[nH]cnc1Br 583651787 SOAZQERGGLZAOC-UHFFFAOYSA-N 339.215 0.918 50 40 ECGB O=C(NCc1ccccn1)C(=O)N/N=C/c1ccccc1C(=O)O 4904649 UXZCRLGFYNJPTJ-DJKKODMXSA-N 326.312 0.546 50 40 ECGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCOCC1 24303101 JQLGZYAJHKXZES-KAMYIIQDSA-N 330.344 0.950 50 40 ECGB NNC(=O)[C@@H](NC(=O)c1ccccc1)[C@H]1OC(=O)c2ccccc21 4109107 OGHMROWZAKIMCU-KBPBESRZSA-N 325.324 0.687 50 40 ECGB CCNC(=S)NNC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O 15019483 MQRCYELUGIRBGB-UHFFFAOYSA-N 348.425 0.107 50 40 ECGB CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cccc(Cl)c1 6790283 LVHVZOPUKOAEOB-JTQLQIEISA-N 344.824 0.891 50 40 ECGB CCCCN1C(=O)/C(=N\NC(=O)CCC(=O)NN)c2ccccc21 27986321 GPXJWXWZBSMAAT-HKWRFOASSA-N 331.376 0.424 50 40 ECGB CC1=CC(=O)/C(=C(/C)NNC(=O)c2ccn(C(F)F)n2)C(=O)O1 101540666 NPXGAPKVWRBOIS-JXMROGBWSA-N 326.259 0.816 50 40 ECGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C1/C(=O)Nc2ccccc21 6607786 WMGWIHWFNXGLDD-UHFFFAOYSA-N 328.288 0.572 50 40 ECGB CNC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2ccccn2c1=O 2206815 VAKISOLDPALBLT-ZRDIBKRKSA-N 339.355 0.184 50 40 ECGB COc1ccccc1N/N=C1\C(=O)N(CCO)C(=O)C(C#N)=C1C 13768404 XJDFKVNYURWQLG-RGEXLXHISA-N 328.328 0.664 50 40 ECGB CCn1ncc(/C=N/NC(=O)Cn2cc(Cl)c([N+](=O)[O-])n2)c1F 252484707 GFEUKMXXESRQFP-LZWSPWQCSA-N 343.706 0.951 50 40 ECGB COc1ccc(/C=N/NC(=O)Cn2nccc2C)cc1OCC(N)=O 139155 ASYOHZYOLMTJPH-QGMBQPNBSA-N 345.359 0.215 50 40 ECGB Cn1c(CC(=O)NNC(=S)NC[C@H]2CCCO2)nc2ccccc21 16276063 LZVVNTXUYAUIES-LLVKDONJSA-N 347.444 0.790 50 40 ECGB COc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCC(=O)NN 12394162 XLYHNHCUIQISPB-HNNXBMFYSA-N 348.359 0.281 50 40 ECGB COc1cc(I)c(CC(=O)NN)cc1OC 8469642 UIJHMPXCLXBDDZ-UHFFFAOYSA-N 336.129 0.841 50 40 ECGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1cccc(O)c1 9454815 WISZQWBXFAWZET-FRKPEAEDSA-N 342.319 0.401 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)Cn1cc(C(F)(F)F)ccc1=O 104658259 DQQBDPHGBRZTRH-NTMALXAHSA-N 343.261 0.736 50 40 ECGB Cc1ccc(-n2ccnc2)c(C(=O)NNC(=O)C(=O)NC2CC2)c1 71911617 COATUTYVUBIWJJ-UHFFFAOYSA-N 327.344 0.220 50 40 ECGB CC(C)CC(=O)NNC(=O)[C@@H](C)N1CCCC[C@@H]1C1OCCO1 69739424 FQWBCZIZHIABKA-CHWSQXEVSA-N 327.425 0.796 50 40 ECGB CC(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1 2064492 OJMJCMIWQVMQSZ-UHFFFAOYSA-N 346.206 0.870 50 40 ECGB CSCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cccc(Cl)c1 6790284 LVHVZOPUKOAEOB-SNVBAGLBSA-N 344.824 0.891 50 40 ECGB COc1cc(C(=O)NNC(=O)c2ccc(=O)[nH]c2)cc(OC)c1OC 9913484 ZDYPDNOJTUBUDD-UHFFFAOYSA-N 347.327 0.476 50 40 ECGB COc1cc(/C=N/NC(=O)C(N)=O)ccc1OC(=O)c1ccco1 3526907 JGPRIHYUWSIMAU-CAOOACKPSA-N 331.284 0.443 50 40 ECGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc(C(=O)O)cc1 3082235 NHAPBSOEFCKVEI-VXLYETTFSA-N 326.312 0.546 50 40 ECGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NCCOC)cc1OCC 4402123 JLXVMRJUGJPYLO-XDHOZWIPSA-N 349.387 0.863 50 40 ECGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1cccnc1 13027540 ZCXGNLCZJKXIGV-UHFFFAOYSA-N 335.341 0.712 50 40 ECGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1[N+](=O)[O-] 25581671 IAYLRPQOBCTBFN-RIYZIHGNSA-N 333.264 0.900 50 40 ECGB O=C1OC(=O)[C@@H]2[C@H]1[C@H]1O[C@H]2[C@@H](Br)[C@H]1Br 101151712 OCPGECKNMMXUPB-XJTPDSDZSA-N 325.940 0.610 50 40 ECGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(O)c(O)c1 4702499 OTTDGDTZFNJQHZ-RQZCQDPDSA-N 338.327 0.902 50 40 ECGB O=S1(=O)CCCN1c1cccc(NCc2ccc(B(O)O)cc2)c1 585011673 AUVJNMHBZOVGJT-UHFFFAOYSA-N 346.217 0.518 50 40 ECGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccc(C(=O)O)cc1 13768713 CIAYQRDHIQRHSY-UYRXBGFRSA-N 342.311 0.354 50 40 ECGB COc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1OC 9486364 JANCVCQSFISMIQ-VHSXEESVSA-N 333.793 0.838 50 40 ECGB O=C(NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)OC(=O)[C@@H]12)c1ccc([N+](=O)[O-])cc1 100396645 VIEUKSFKBWADFR-OVZMXSCWSA-N 344.279 0.348 50 40 ECGB CCC(NNC(=O)c1ccccc1Cl)=C1C(=O)NC(=O)NC1=O 9317238 QEGIWOQXEMSZII-UHFFFAOYSA-N 336.735 0.605 50 40 ECGB CCOC(=O)/C=C/C(=O)NNC(=O)CCC(=O)NCc1ccccc1 4523989 OXXZVVVUYPODIS-ZHACJKMWSA-N 347.371 0.350 50 40 ECGB C/C(=N/NC(=O)Cn1nnnc1N)c1ccc(Br)cc1 547697 CTTUJUZCXMBSNV-AUWJEWJLSA-N 338.169 0.558 50 40 ECGB CC(C)c1nnc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)s1 575420606 CQKZEEBJXNQFTM-RQJHMYQMSA-N 338.842 1.187 50 40 ECGB COc1cc(/C=N/NC(=O)Cn2nccc2C)ccc1OCC(N)=O 139142 DKRGMZLRFLBDJQ-QGMBQPNBSA-N 345.359 0.215 50 40 ECGB CCCn1nnnc1SCC(=O)NNC(=O)C1CCCCC1 1357470 PCLWTHYRGVWXHW-UHFFFAOYSA-N 326.426 0.903 50 40 ECGB O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)OCCCCCCO)C1 40167928 YAENFYNORYTSGN-NXEZZACHSA-N 329.871 0.835 50 40 ECGB OCCOCCOCCOCCOCCI 1542984467 ZJOGBMNZJZJNAZ-UHFFFAOYSA-N 348.177 0.480 50 40 ECGB COc1ccc(CC(=O)NNC(=O)CSc2nc(C)n[nH]2)cc1 18200100 OUSGSRIMHKXANA-UHFFFAOYSA-N 335.389 0.604 50 40 ECGB C=CCN1C(=O)NC(=O)/C(=C(/C)NNC(=O)c2ccccc2)C1=O 10257332 CSOUOXGGNRGDER-ZRDIBKRKSA-N 328.328 0.459 50 40 ECGB O=C(CNC(=O)c1ccccn1)N/N=C/c1ccc([N+](=O)[O-])s1 18192924 VBLPIAKWDVTWGC-FRKPEAEDSA-N 333.329 0.931 50 40 ECGB COC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2ccccn2c1=O 551582 IVUHZASQHWLNKC-ZRDIBKRKSA-N 340.339 0.611 50 40 ECGB Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)N3CCOCC3)ccc21 409086699 ROVBJRKHCRPSFG-UKTHLTGXSA-N 326.356 0.643 50 40 ECGB COc1cc(/C=C(/C#N)C(N)=O)ccc1OCC(=O)N1CCOCC1 211347246 OFGRHIRDWOTXHL-JYRVWZFOSA-N 345.355 0.325 50 40 ECGB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NN)cc1 179323 XADHSRFALGIDAW-HNNXBMFYSA-N 333.413 0.875 50 40 ECGB Cc1c(C(=O)NNC(=O)c2ccccc2)[n+]([O-])c2ccccc2[n+]1[O-] 2565068 MNWOKDDKWCHFRH-UHFFFAOYSA-N 338.323 0.490 50 40 ECGB COCCNC(=O)C/C(C)=N/NC(=O)C(=O)NC1CCCCC1 100376347 WYNSKWHVSWFFFZ-WOJGMQOQSA-N 326.397 0.080 50 40 ECGB CCOC(=O)NN[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 2233280 YOQQBHIKLWBYED-JTQLQIEISA-N 335.316 0.340 50 40 ECGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccccc1O 1953868 SUOFHOQQORUHNG-GIDUJCDVSA-N 328.292 0.010 50 40 ECGB COc1ccc([C@H]2C(C#N)=C(N)Oc3nc(=O)[nH]c(O)c32)cc1OC 493935 QGXNUGHUBLXPPH-NSHDSACASA-N 342.311 0.711 50 40 ECGB COc1ccc(/C=N/NC(=O)CCc2nnc(O)nc2O)cc1O 8683237 KEIIRJGBPUBEDJ-VIZOYTHASA-N 333.304 0.080 50 40 ECGB C/C(CC(=O)Nc1ccc(C(N)=O)cc1)=N\NC(=O)c1cnccn1 100093090 KEXMYKKBUMJBIM-UFFVCSGVSA-N 340.343 0.710 50 40 ECGB O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1ccc(Cl)cc1Cl 56175 DKLFXJWJHYLYSA-PJQLUOCWSA-N 342.142 0.458 50 40 ECGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 58874036 AZILIEZTUDFKIH-WOJGMQOQSA-N 347.371 0.701 50 40 ECGB COCCO[Si](OCCOC)(OCCOC)c1ccccc1 169811095 DBXDLSPMDNQBBQ-UHFFFAOYSA-N 330.453 0.822 50 40 ECGB COc1cccc(/C=N/NC(=O)Cc2nnc(NC(C)=O)s2)c1O 408729905 FALIVHGJDLWNMO-VIZOYTHASA-N 349.372 0.904 50 40 ECGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNS(=O)(=O)c1ccccc1 17193962 WUZUBIHMRWWRKC-LCYFTJDESA-N 346.368 0.192 50 40 ECGB CCOC(=O)NNS(=O)(=O)c1cccnc1OCC(F)F 585119003 MJNYOTPEUDENKQ-UHFFFAOYSA-N 325.293 0.665 50 40 ECGB C=CCn1c(SC[C@@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 322470 ZBNFIXNOBUATLZ-ZETCQYMHSA-N 330.797 0.301 50 40 ECGB COc1ccc(N(C(=O)CCl)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1 40177680 MUZONDKMAGCCLO-RYUDHWBXSA-N 333.793 0.425 50 40 ECGB O=C(CCCO)NN[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 100153601 MZVVWGUYIHHVQI-NSHDSACASA-N 325.752 0.365 50 40 ECGB COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)NN)C1 38556526 UEFLKCVTVNJNIQ-VIFPVBQESA-N 347.824 0.739 50 40 ECGB COc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1 409079454 FZJRJWJGLFCBPK-LBPRGKRZSA-N 339.355 0.344 50 40 ECGB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NN)CC2)cc1C 408556433 IONPRZJLDZESPL-UHFFFAOYSA-N 341.433 0.784 50 40 ECGB C[C@H](NC(N)=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 32971051 OUSNRCWLDDWNHF-ZETCQYMHSA-N 348.281 0.288 50 40 ECGB O=C(c1cccc(B(O)O)c1)N1CCCN(c2ccccn2)CC1 584976631 SFRGJGHYJUBPMI-UHFFFAOYSA-N 325.177 0.114 50 40 ECGB O=C(NNC(=O)c1ccc[nH]c1=O)c1cc(Br)c[nH]1 24124456 MQDKIMBNZOPASF-UHFFFAOYSA-N 325.122 0.540 50 40 ECGB O=C(CNc1nc2ccccc2s1)NNC(=O)c1ccc(=O)[nH]n1 12741730 ZCRKRFYRKRXILD-UHFFFAOYSA-N 344.356 0.253 50 40 ECGB CCNC(=O)NNC(=O)c1ccc(I)c(O)c1 408566519 HETSONVQGZYTKL-UHFFFAOYSA-N 349.128 0.961 50 40 ECGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc2c(c1)CCC2 7818928 LSKCEWVFWKAVJY-NSHDSACASA-N 336.413 0.761 50 40 ECGB O=C(NN[C@@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(O)cc1 100762162 AOJWXFNVOJGHGW-CQSZACIVSA-N 325.324 0.959 50 40 ECGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccco3)C2=O)cc1 2656218 LKVLOUPJJQVJHS-GFCCVEGCSA-N 329.312 0.855 50 40 ECGB CC[C@H](C)N1C(=O)/C(=C/NNC(=O)c2ccncc2)C(=O)NC1=S 13496554 ILEULSHQMGAUCF-OHMLCJAVSA-N 347.400 0.242 50 40 ECGB COCC1=C(C#N)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OC)=C(N)O1 51325 JJHYNNULTYPWQU-QGZVFWFLSA-N 341.323 0.674 50 40 ECGB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)cc1 2457720 KADYJZKMMKSOLG-UHFFFAOYSA-N 332.809 0.767 50 40 ECGB O[C@H](CI)[C@H](O)CI 5081272 MRDIDHLFTJNRDW-QWWZWVQMSA-N 341.914 0.578 50 40 ECGB C/C(=N\NC(=O)Cc1csc(N)n1)c1cccc(-n2cnnn2)c1 5007280 CXBUHPPGLSGQMZ-GIJQJNRQSA-N 342.388 0.784 50 40 ECGB C=CCN1C(=O)/C(=C/NNC(=O)CCCCCC)C(=O)NC1=S 5047470 LSPPHWILPCGCPV-ZHACJKMWSA-N 338.433 0.891 50 40 ECGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 48989 OSADPDJTUZROBY-LLVKDONJSA-N 344.758 0.956 50 40 ECGB biogenic,in-vitro COCC1=C(C#N)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OC)=C(N)O1 51326 JJHYNNULTYPWQU-KRWDZBQOSA-N 341.323 0.674 50 40 ECGB Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccccn2)cc1 4700540 YQHOJJKJVOTPFH-UHFFFAOYSA-N 342.355 0.806 50 40 ECGB O=C(COc1ccccc1)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 24127498 LCOXMVRKEBVDFF-NSHDSACASA-N 326.374 0.038 50 40 ECGB COC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2C(=O)N[C@]1(C)NC2=C(C#N)C#N 100253770 XKGJGQSDBLFQSR-COJSNBRMSA-N 336.351 0.926 50 40 ECGB COc1ccc(C(=O)NNC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409386482 LVDDSOZOQHJOSM-HPTBWKMGSA-N 346.339 0.501 50 40 ECGB C=CCN1C(=O)NC(=O)/C(=C(/C)NNC(=O)c2ccccc2O)C1=O 533294 YUCPYUAIAOFVPP-FMIVXFBMSA-N 344.327 0.165 50 40 ECGB COc1cc(/C=N/NC(=O)Cn2nnc(N)n2)ccc1OC(C)C 547619 JILHBSAFTMKTBX-FRKPEAEDSA-N 333.352 0.201 50 40 ECGB C=CCN1C(=O)/C(=C(/C)NNC(=O)c2ccccc2)C(=O)N=C1O 1270033 CSOUOXGGNRGDER-BENRWUELSA-N 328.328 0.664 50 40 ECGB Cc1ccc(C(=O)NNC(=O)CSc2nc(N)cc(N)n2)cc1 4126445 XHMXUMNGJXCKJI-UHFFFAOYSA-N 332.389 0.503 50 40 ECGB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1ccco1 9513228 UGQRTECZHSFLQC-UHFFFAOYSA-N 341.301 0.820 50 40 ECGB Cc1nn(C)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2 71284826 BXCJDXHGULVFHA-UHFFFAOYSA-N 338.345 0.081 50 40 ECGB O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(O)cc1 41091357 IUJPQYQPYHWNQS-UHFFFAOYSA-N 348.340 0.185 50 40 ECGB O=C(CNC(=O)c1cccnc1)N/N=C/c1ccc2c(c1)OCO2 4673298 XOJCCFAQLSYKFT-FBCYGCLPSA-N 326.312 0.690 50 40 ECGB CCCc1ccc(S(=O)(=O)NNC(=O)C(=O)NC(C)C)cc1 7725983 BJFXCKCVJKQMLG-UHFFFAOYSA-N 327.406 0.473 50 40 ECGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cccnc3)C2=O)cc1 56305 DDRXMSVRXCHRHN-CQSZACIVSA-N 340.339 0.657 50 40 ECGB CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NN)cc1 6356979 VOGMOTHSSSINPG-UHFFFAOYSA-N 349.412 0.876 50 40 ECGB C=CCOc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 7869676 VFCKRBHEVQDJJM-SKCQWOFPSA-N 331.372 0.997 50 40 ECGB NC(=S)NNC(=O)CCCCCN1C(=O)c2ccccc2C1=O 4016305 FICYSUCQDZBDIP-UHFFFAOYSA-N 334.401 0.707 50 40 ECGB NNC(=O)COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1 409115431 JCBBOCNIGCWCIL-UHFFFAOYSA-N 349.412 0.576 50 40 ECGB COC(=O)CC1=C(C(=O)OC)[C@H](c2ccncc2)C(C#N)=C(N)O1 499719 SDEHYWLRQJNLKR-CYBMUJFWSA-N 329.312 0.879 50 40 ECGB NNC(=O)CCC(=O)N/N=C/c1cc(Br)ccc1O 27986426 BRSGKQGCYNTSHY-MKMNVTDBSA-N 329.154 0.375 50 40 ECGB O=C(O)[C@@H]1[C@H]2O[C@@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)O 100133700 YAUAFDGEUWEBOP-XJTPDSDZSA-N 343.955 0.696 50 40 ECGB in-vitro O=C(NCCCN1CCOCC1)C(=O)N/N=C\c1ccc(F)cc1 33927758 RTRCIHGFGIHIRQ-UNOMPAQXSA-N 336.367 0.114 50 40 ECGB CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NNC(N)=O 16693830 ODPNMEABMOFZMX-JYRVWZFOSA-N 325.328 0.452 50 40 ECGB O=C(NCc1nc2ccccc2[nH]1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 575421706 LJUPVTSDYBPIDD-KWQFWETISA-N 342.808 0.767 50 40 ECGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc2c(c1)OCCO2 5394887 LZKMLSSEPTZMMH-RGVLZGJSSA-N 340.339 0.619 50 40 ECGB O=C(Cn1nc(O)c2ccccc2c1=O)NNC(=O)c1ccccc1 2620563 GHJLXPBCHNGFBU-UHFFFAOYSA-N 338.323 0.563 50 40 ECGB CC(C)[C@H](C(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)N(C)C 65547500 GVAVRYTVRCHYAC-CYBMUJFWSA-N 331.380 0.010 50 40 ECGB CCc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 575419879 ADBWQDOZBFXBFR-NEPJUHHUSA-N 337.850 0.932 50 40 ECGB CN1C(=O)C[C@@H](NNC(=O)c2ccc(Br)cc2)C1=O 547671 FLESXQPHPVHKMZ-SECBINFHSA-N 326.150 0.441 50 40 ECGB COC(=O)CCC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1 5879419 BJBPUQALBQIQIH-UHFFFAOYSA-N 333.344 0.749 50 40 ECGB COc1cccc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1O 408734753 DATKNLKWZANQOX-OMCISZLKSA-N 333.304 0.964 50 40 ECGB CCCCS[C@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 84746817 OAOOUNDZDCZMPD-LLVKDONJSA-N 338.433 0.881 50 40 ECGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccncc2)cc1C(=O)O 226858253 AFTRRTMRTBWKDY-UHFFFAOYSA-N 335.341 0.712 50 40 ECGB COc1ccc(OC)c(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1 59515814 YASVLKRWVYQGMD-VVSAQIQQSA-N 335.360 0.449 50 40 ECGB CCCc1c(C(=O)N/N=C/c2cccnc2)nnn1-c1nonc1N 2447476 KVIRDEAYIAAAIZ-CAOOACKPSA-N 341.335 0.344 50 40 ECGB O=C(COc1ccccc1)NCC(=O)NNC(=O)C1CCCCC1 5066270 PDFBFDJNNIWPRD-UHFFFAOYSA-N 333.388 0.909 50 40 ECGB CCOC(=O)[C@@H]1[C@@H](C(=O)NN)[C@@H]1C(=O)Nc1ccc(Cl)cc1 5473533 SUGJHUKBAKPJNA-DCAQKATOSA-N 325.752 0.694 50 40 ECGB CCCCN1C(=O)N=C(O)/C(=C/NNC(=O)c2ccncc2)C1=O 6783080 ZSDUAIVCWWQIJN-LUAWRHEFSA-N 331.332 0.919 50 40 ECGB O=C(Cc1nnc(NC(=O)CCl)s1)N/N=C/c1ccncc1 6345521 GZAUKGZXOVLSEN-VIZOYTHASA-N 338.780 0.803 50 40 ECGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 59959974 XPLKASKRUHDHEF-VXLYETTFSA-N 340.339 0.640 50 40 ECGB O=C1O[C@@H]2[C@@H](Br)[C@H]3C[C@@H]2[C@@H]1[C@@H]3C(=O)N1CCOCC1 102601111 ZWWUOBHNIOLLFF-VDNGDJRNSA-N 330.178 0.416 50 40 ECGB N#CCC(=O)N/N=C1\C(=N)O[C@H](c2ccco2)\C1=N/NC(=O)CC#N 25585446 QNJJUEZFARHKDA-IXSXTBJBSA-N 341.287 0.100 50 40 ECGB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 25259726 GNDJBVOYBDKXEF-PRHODGIISA-N 336.348 0.259 50 40 ECGB O=C(NNC(=S)NC[C@@H]1CCCO1)c1n[nH]c(=O)c2ccccc12 5268778 KHUIQWYZOUKPJE-VIFPVBQESA-N 347.400 0.211 50 40 ECGB CNC(=S)NNC(=O)[C@H](NC(=O)c1ccccc1F)C(C)C 9355881 WSAZZPBYDXTSRU-LLVKDONJSA-N 326.397 0.705 50 40 ECGB CCc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 575419880 ADBWQDOZBFXBFR-NWDGAFQWSA-N 337.850 0.932 50 40 ECGB CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccnc2)cc1 1604383 OIGBRJWUXNLLRM-UHFFFAOYSA-N 334.357 0.663 50 40 ECGB Cn1cc(Br)cc1C(=O)NNC(=O)C1=COCCO1 9218742 WWGNBGQWGVITQY-UHFFFAOYSA-N 330.138 0.437 50 40 ECGB Cc1c(S(=O)(=O)NNC(=O)Cc2ccccc2Cl)cnn1C 71287904 FQHJGRYQDPXBCJ-UHFFFAOYSA-N 342.808 0.934 50 40 ECGB O=C(COC1CCCC1)NNC(=O)c1ccc(-n2cnnn2)cc1 44966924 LYNIEPKDHIBMDL-UHFFFAOYSA-N 330.348 0.383 50 40 ECGB COCCNC(=S)NNC(=O)CSc1nc(C)cc(C)n1 408588635 XMOOJXJMXCPHMW-UHFFFAOYSA-N 329.451 0.327 50 40 ECGB NNC(=O)[C@H](NC(=O)c1ccccc1)[C@@H]1OC(=O)c2ccccc21 4109113 OGHMROWZAKIMCU-ZIAGYGMSSA-N 325.324 0.687 50 40 ECGB COc1ccc(C(=O)NNC(=O)CSc2ncn[nH]2)cc1OC 5729814 KOCLLAGVTWLMFI-UHFFFAOYSA-N 337.361 0.375 50 40 ECGB CCCCCC(=O)N[C@@H](CSSC[C@@H](N)C(=O)O)C(=O)O 4726246 LRBVTGMFBRIVKQ-BDAKNGLRSA-N 338.451 0.929 50 40 ECGB COc1ccc(C(=O)NN)cc1S(=O)(=O)N1CCCCCC1 223469357 MRXSXILMOHUFBB-UHFFFAOYSA-N 327.406 0.863 50 40 ECGB O=C(COC(=O)c1ccco1)NNC(=O)c1ccc([N+](=O)[O-])cc1 3514562 XLLSRVHWMSUNMQ-UHFFFAOYSA-N 333.256 0.806 50 40 ECGB CC(=O)N1CCC(C(=O)NNC(=O)COc2ccc(C)cc2)CC1 14190430 VMZJMDTYPAFENT-UHFFFAOYSA-N 333.388 0.780 50 40 ECGB O=C(O)CCCCCN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 40177574 MFUVZWIALNJSHZ-SNVBAGLBSA-N 325.814 0.886 50 40 ECGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 59459500 QWDWIJLAZAHEJT-VCHYOVAHSA-N 327.300 0.756 50 40 ECGB N#CC(C#N)=C1N[C@]2(O)Nc3ccccc3[C@]2(C(C#N)C#N)[C@H]1C#N 66088030 LHIGUMOGWZKWDT-IAOVAPTHSA-N 327.307 0.704 50 40 ECGB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN)C2)cc1Cl 6646977 UYLBYASBCKAKSX-SECBINFHSA-N 347.824 0.739 50 40 ECGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(C3CC3)[nH]n2)cc1 31820986 FSUOKHYIDVLWCD-UHFFFAOYSA-N 348.384 0.765 50 40 ECGB COc1cc(OC)cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c1 11999349 PKORQNFGOJWBIH-VXGBXAGGSA-N 333.793 0.838 50 40 ECGB COCc1c(C(=O)N/N=C/[C@H]2CC=CCC2)nnn1-c1nonc1N 8406945 YTAQRKXFPJATQQ-UVSFYCKTSA-N 346.351 0.451 50 40 ECGB N=c1nn[nH]n1CC(=O)N/N=C/c1ccc(-c2ccc(F)cc2F)o1 408974715 CGUJMGHUNOXEON-NGYBGAFCSA-N 347.285 0.774 50 40 ECGB COc1cc(/C=N/NC(=O)Cn2ccc(C)n2)ccc1OCC(N)=O 130579 QZLJTKLXTUSJBH-QGMBQPNBSA-N 345.359 0.215 50 40 ECGB COc1ccc(Br)cc1/C=N/NC(=O)[C@H]1C=NNC1=O 100948863 PIBWXMOYSWWYRE-SVOHMGGZSA-N 339.149 0.640 50 40 ECGB O=C(Cc1ccc(OC(F)(F)F)cc1)NNC(=O)c1cn[nH]n1 69651985 XZVYKFJFWNLNEK-UHFFFAOYSA-N 329.238 0.707 50 40 ECGB Cn1cc([N+](=O)[O-])cc1C(=O)NNC(=O)CCNC(=O)c1ccco1 10025149 PZTHCSYXUNSHSP-UHFFFAOYSA-N 349.303 0.107 50 40 ECGB C#CCN1CCCC[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2 44979619 LXOBHJREGSMMFX-ZDUSSCGKSA-N 329.356 0.664 50 40 ECGB O=C(NN[C@H]1CC(=O)N(c2ccccc2)C1=O)c1ccc(O)cc1 2197871 AOJWXFNVOJGHGW-AWEZNQCLSA-N 325.324 0.959 50 40 ECGB COc1ccc(C(=O)NCC(=O)N/N=C/c2cccnc2)cc1OC 2269860 YUGQFVQSBOYKPD-KEBDBYFISA-N 342.355 0.979 50 40 ECGB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1ccncc1 35686019 MLENNZBBNKFBHT-UHFFFAOYSA-N 336.329 0.922 50 40 ECGB CCOC(=O)C1=C(C)NC(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 4517191 YOHAONDORXBTFL-KRWDZBQOSA-N 325.324 0.978 50 40 ECGB CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)C)cc1 6510392 SLLNZKYGONOSRF-AWEZNQCLSA-N 349.435 0.987 50 40 ECGB COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H](NC(N)=O)C(C)C 6627868 MJFVPLNBAMNESV-NSHDSACASA-N 342.783 0.803 50 40 ECGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)N4CCOCC4)[C@@H]13)[C@H]2Br 101209366 ZWWUOBHNIOLLFF-RJRBEDEGSA-N 330.178 0.416 50 40 ECGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Br)c1O 4894794 ALOLBMVIFOVAPB-GIDUJCDVSA-N 344.165 0.750 50 40 ECGB CC(C)NC(=O)C(=O)NNC(=O)CCc1nc2ccccc2s1 8390257 VSQBSBGYLBDIGN-UHFFFAOYSA-N 334.401 0.901 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)C[C@H]1Oc2ccccc2NC1=O 105634535 TYSKWBKDWKOIJK-CFYYFVFUSA-N 329.312 0.645 50 40 ECGB Cn1cccc1C(=O)NNC(=O)C1CCN(Cc2nccn2C)CC1 44979626 JPHNJWZOTHEAPC-UHFFFAOYSA-N 344.419 0.432 50 40 ECGB Cc1ccc(C(=O)NNC(=O)N2CCN(c3ncccn3)CC2)cc1 8771335 UKSPBXVFDFIRBF-UHFFFAOYSA-N 340.387 0.962 50 40 ECGB NNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 409390864 LWUZDRIPORMHSU-UHFFFAOYSA-N 339.348 0.995 50 40 ECGB Cc1csc(=O)n1CC(=O)NNS(=O)(=O)c1ccc(F)cc1 12801918 XDEQAMCSMPPDOW-UHFFFAOYSA-N 345.377 0.367 50 40 ECGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1 15224860 RRDCZAOWRPWLAH-GIJQJNRQSA-N 332.360 0.060 50 40 ECGB COc1ccc(-c2cc(C(=O)NN)nn2-c2ccc(O)nn2)cc1 32934925 VXFBTFFJTLEZJA-UHFFFAOYSA-N 326.316 0.647 50 40 ECGB O=C(NNC(=O)c1ccc(Cl)nc1)c1ccc(-n2cnnn2)cc1 7654710 OLMQGUZLDVDTEI-UHFFFAOYSA-N 343.734 0.786 50 40 ECGB COC(=O)CN1C(=O)/C(=N/NC(=O)c2ccccn2)c2ccccc21 5910125 WPHGPTDHAGQPQA-XDJHFCHBSA-N 338.323 0.735 50 40 ECGB O=C(NCCO)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1 6344073 IGSLTKHCGHXLOV-UHFFFAOYSA-N 341.367 0.074 50 40 ECGB COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc([N+](=O)[O-])c1O 35939853 GVIPQWAMQLYZFU-OVCLIPMQSA-N 339.304 0.912 50 40 ECGB CCOc1ccccc1OCC(=O)NNC(=O)c1ccc[nH]c1=O 12940982 SQGSIEQZVDMWEP-UHFFFAOYSA-N 331.328 0.614 50 40 ECGB O=C(NN[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)c1cccnc1 101444393 HTGSJBOCACDGKO-CYBMUJFWSA-N 346.293 0.926 50 40 ECGB O=C(CO)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1 58884499 YHJTVRUUZWNNOV-VCHYOVAHSA-N 333.388 0.957 50 40 ECGB O=C(NNC(=S)NC(=O)c1ccc2c(c1)OCO2)c1ccncc1 32126406 OUWNUFYTLVNRSB-UHFFFAOYSA-N 344.352 0.760 50 40 ECGB Cc1ccc(S(=O)(=O)NNC(=O)Cn2c(C)csc2=O)cc1 12852316 SLGSFOSMJMDLGE-UHFFFAOYSA-N 341.414 0.536 50 40 ECGB NNC(=O)C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 1775968342 CITMPMJYMUTYGT-UHFFFAOYSA-N 330.325 0.845 50 40 ECGB C[C@@H](NC(N)=O)C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1 32969055 GQJGTFWKGQWEHP-SNVBAGLBSA-N 336.392 0.567 50 40 ECGB O=C(/C=C/c1ccc2c(c1)OCCO2)NNC(=O)c1cnccn1 11223216 AJTHBKJNAHEPRN-DUXPYHPUSA-N 326.312 0.722 50 40 ECGB Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)c1 157767582 XPKXNBQTIUWXON-WDEREUQCSA-N 337.850 0.986 50 40 ECGB COC(=O)c1ccc(/C=N\NC(=O)CC[C@H]2C(=O)NN=C2C)cc1 100280573 YBFFGYLLQJSVFA-ZLYHGVDXSA-N 330.344 0.825 50 40 ECGB COC(=O)c1ccc(NC(=S)NNC(=O)c2csnn2)cc1 1775968327 BZMXHPNHWLMQFI-UHFFFAOYSA-N 337.386 0.956 50 40 ECGB N#CC(C(=O)CSc1n[nH]c(=O)[nH]c1=O)=C1Nc2ccccc2N1 3259425 PEDGWEVGQOQLQP-UHFFFAOYSA-N 342.340 0.392 50 40 ECGB OB(O)c1ccc(Br)c(I)c1F 307415657 UVTARXAYZABXOI-UHFFFAOYSA-N 344.714 0.873 50 40 ECGB O=C(O)COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccco1 2315532 AVMXWCDUNURJJY-QGMBQPNBSA-N 345.311 0.623 50 40 ECGB CCOC(=O)C1=C(C)NC(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 4517190 YOHAONDORXBTFL-QGZVFWFLSA-N 325.324 0.978 50 40 ECGB COCCNC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1 7062457 IKMHFAWFBRHFGD-UHFFFAOYSA-N 343.405 0.468 50 40 ECGB CC(C)O[C@@]1(CS(=O)(=O)NNC(=O)CC(C)(C)C)CCOC1 585119326 CDJOOASSKKVHPS-AWEZNQCLSA-N 336.454 0.957 50 40 ECGB CCCc1noc(CCC(=O)NNS(=O)(=O)c2ccccc2)n1 40497907 ZDUTVQFSGCFGQB-UHFFFAOYSA-N 338.389 0.964 50 40 ECGB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)cc1C 9974278 XVSPCKURIGSXLD-NSHDSACASA-N 327.406 0.394 50 40 ECGB COCc1cc(C)n(CC(=O)N/N=C/c2cccnc2)c(=O)c1C#N 4720727 POQJDZRBIWGUOT-AWQFTUOYSA-N 339.355 0.720 50 40 ECGB COCCCNC(=O)CC(=O)N/N=C/c1ccc(OC)cc1OC 59459645 RMSFIPGJNNCWDB-WOJGMQOQSA-N 337.376 0.697 50 40 ECGB Cn1cccc1C(=O)NNC(=O)C1CCN(c2ncccn2)CC1 44967044 DEVDWTIWLFJZFG-UHFFFAOYSA-N 328.376 0.493 50 40 ECGB CC[C@@H](C)N1C(=O)/C(=C\NNC(=O)c2ccncc2)C(=O)N=C1S 12338865 ILEULSHQMGAUCF-LZUGORFDSA-N 347.400 0.653 50 40 ECGB CCN1C(=O)C(=CNNC(=O)c2ccncc2)C(=O)N(CC)C1=S 5909186 PNAMZPZFGHPTBP-UHFFFAOYSA-N 347.400 0.195 50 40 ECGB CN(CC(=O)NNC(=O)C1CCC1)C[C@@H]1COc2ccccc2O1 69770216 XQSBDAZGOCTJHZ-CYBMUJFWSA-N 333.388 0.706 50 40 ECGB CCc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 575419881 ADBWQDOZBFXBFR-RYUDHWBXSA-N 337.850 0.932 50 40 ECGB COC(=O)C[C@H](C#N)C(/C=C(/C#N)C(=O)OC)=C\[C-](C#N)C(=O)OC 100023772 ULVFGGDOVCQDSI-UICGMDBBSA-N 344.303 0.510 50 40 ECGB COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1OC 3085294 IHOOXHYLXKPDSH-KBSHCFNASA-N 335.360 0.449 50 40 ECGB COCCCNC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br 102601650 BCQBHDWTNJPQCX-RJRBEDEGSA-N 332.194 0.710 50 40 ECGB Cc1ccc(C(=O)NNC(=O)CSc2ncc(C#N)c(N)n2)cc1 4126876 VKQMBFPLDLRXFC-UHFFFAOYSA-N 342.384 0.792 50 40 ECGB CC(=C/c1ccccc1)/C=N/NC(=O)CNc1n[nH]c(=O)[nH]c1=O 1787610 ZJKBPYTVPUCBHM-FBZDSWJDSA-N 328.332 0.076 50 40 ECGB CCOC(=O)C1=C[C@@](C)(C(=O)OCC)C(C#N)(C#N)C(N)=C1C#N 8746516 LZFOTFMRZAPMFY-HNNXBMFYSA-N 328.328 0.829 50 40 ECGB Cn1c(=O)c2nc(/C=N/N(CCCl)CCCl)[nH]c2n(C)c1=O 104387575 DUZYLLLADSOUKD-VIZOYTHASA-N 347.206 0.074 50 40 ECGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc([N+](=O)[O-])cc1 4749941 YOJYYZQIQPVGDN-VIFPVBQESA-N 341.345 0.181 50 40 ECGB O=C(CCc1ncc(-c2ccccc2F)o1)NNC(=O)c1cn[nH]n1 69595423 VHBNMVMLSAKQIK-UHFFFAOYSA-N 344.306 0.993 50 40 ECGB COc1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1S(=O)(=O)O 31937768 FJXOYCNGBMCZLA-ZSOIEALJSA-O 330.386 0.098 50 40 ECGB COCCNC(=O)C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 3274141 NCOGNUWKQWWNIE-UHFFFAOYSA-N 334.159 0.517 50 40 ECGB COC(=O)c1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 12781519 HTCWVAHBLURMRY-CYBMUJFWSA-N 340.401 0.579 50 40 ECGB Cc1ccsc1/C=N/NC(=O)C(=O)NCCCN1CCOCC1 409165867 BBKNBRTWUYEPEU-GZTJUZNOSA-N 338.433 0.345 50 40 ECGB O=C(N/N=C\c1ccccc1O)C(=O)N/N=C/c1ccccc1O 17313431 PUMOTLVCXKMSQH-BUOZRGFLSA-N 326.312 0.698 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O 104406113 IMICMOYLDCSGPB-UZQWBTNVSA-N 345.355 0.196 50 40 ECGB COc1cccc(/C=N/NC(=O)C(=O)NCCCOC(C)C)c1O 59483193 FAHLPUYLHZVNHS-VCHYOVAHSA-N 337.376 0.782 50 40 ECGB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H]1CCCO1 84409404 YWAIGJCRTQTBJX-MNOVXSKESA-N 329.397 0.862 50 40 ECGB COCCCNC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br 8475533 BCQBHDWTNJPQCX-QKAQJGQXSA-N 332.194 0.710 50 40 ECGB COc1cccc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)c1 2365135 RIOAGFARGBRCTH-CQSZACIVSA-N 340.339 0.657 50 40 ECGB O=C(CCn1cc[nH]c(=O)c1=O)NNC(=O)c1ccc(Cl)cc1 69419345 MDAHJWSTBYBCAG-UHFFFAOYSA-N 336.735 0.041 50 40 ECGB Cc1cc(NC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)no1 53250096 YGHTUSYRDCCUGN-UHFFFAOYSA-N 342.315 0.696 50 40 ECGB Cc1ccc(S(=O)(=O)NNC(=O)[C@@]2(C)C[C@]2(C)C(=O)O)cc1 1664301 ORCGNDAITUBKJY-ZIAGYGMSSA-N 326.374 0.805 50 40 ECGB CC1=NNC(=O)[C@H]1CC(=O)N/N=C/c1ccccc1OCC(=O)O 100151513 QGVWOMPUPGLHIF-JRUYLCMPSA-N 332.316 0.112 50 40 ECGB NNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H]1OC(=O)c2ccccc21 4109111 OGHMROWZAKIMCU-UONOGXRCSA-N 325.324 0.687 50 40 ECGB O=C(Cc1ccc(Cl)c(Cl)c1)NNC(=O)C(=O)NC1CC1 6552281 GYGFPSQATXYKSN-UHFFFAOYSA-N 330.171 0.962 50 40 ECGB CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)cc1 14231892 YOLVWEXIAIVAKK-UHFFFAOYSA-N 334.353 0.871 50 40 ECGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)N2 409092685 WBQQNQUUCBTFQW-NSHDSACASA-N 327.319 0.474 50 40 ECGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(O)c(O)c1 6670023 AKGKXELYGYEJGL-CYBMUJFWSA-N 328.280 0.761 50 40 ECGB C[C@]1(C(N)=O)CC[C@H]([C@H]2NC(=O)NC2=O)[C@]1(C)CBr 675009603 MGTXYUZTPYUGHX-ONAGUOBHSA-N 332.198 0.497 50 40 ECGB O=C(Cn1nnc(N2CCCCC2)n1)N/N=C\c1ccccc1O 17141866 FXWLLZNXUYHGFZ-YBEGLDIGSA-N 329.364 0.519 50 40 ECGB COCCNC(=O)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1 2382459 VOVPQCQNOZPUKA-UHFFFAOYSA-N 341.367 0.877 50 40 ECGB Cn1ccnc1CN1CCC(C(=O)NNC(=O)c2ccccn2)CC1 43284761 OQGUAGIXJYJLKO-UHFFFAOYSA-N 342.403 0.488 50 40 ECGB O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)OCCCCCCO)C1 40167926 YAENFYNORYTSGN-ZJUUUORDSA-N 329.871 0.835 50 40 ECGB COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OCC(=O)O 16196160 NVBFHRKJYXUAKB-MDWZMJQESA-N 346.339 0.924 50 40 ECGB O=C(NNC(=O)C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 418396 MYRDZFCQHKGDNZ-UHFFFAOYSA-N 337.401 0.642 50 40 ECGB CN1C(=O)C(=CNNC(=O)c2ccccc2Cl)C(=O)N(C)C1=O 5025597 XQCDKJLSFVMNMV-UHFFFAOYSA-N 336.735 0.509 50 40 ECGB Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NN 33654874 ARHUPUBDLKUDDP-UHFFFAOYSA-N 341.433 0.975 50 40 ECGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNC(=O)c1ccccc1O 16693842 DMVYVTRQEAHGIB-WQLSENKSSA-N 326.312 0.349 50 40 ECGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc([N+](=O)[O-])cc1 101138296 OFADBSXHFRUXMA-QGOAFFKASA-N 343.299 0.564 50 40 ECGB CCOC(=O)c1cnc(SCC(=O)NNC(=O)C(C)C)nc1N 4128046 RLNZKRDRRGSHSU-UHFFFAOYSA-N 341.393 0.131 50 40 ECGB CC(=O)NNC(=O)[C@H]1CCCN1C(=O)c1cncn1-c1ccccc1 585141350 UIYMBSXEJHWAIN-CQSZACIVSA-N 341.371 0.644 50 40 ECGB O=C(NNC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccncc1 44942630 NWXZPYVLGZGVSJ-UHFFFAOYSA-N 345.403 0.770 50 40 ECGB Cc1nn(C)c(F)c1/C=N/NC(=O)[C@H](C)n1nc([N+](=O)[O-])cc1C 252511278 ZWGCVQKCWKFXIV-JBZZFUPASA-N 337.315 0.992 50 40 ECGB COc1cc(OC)cc(C(=O)NNC(=O)Cn2nc(C)cc2C)c1 12665982 FZOQZOIHGKNKIF-UHFFFAOYSA-N 332.360 0.978 50 40 ECGB O=C(COc1ccc(F)cc1)NN=c1c(=O)c2ccccc2c1=O 2168639 UCWXGALKAIOMHB-UHFFFAOYSA-N 326.283 0.586 50 40 ECGB NC(=O)N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408960917 JJTXZXOVBQUTJE-GIJQJNRQSA-N 329.360 0.502 50 40 ECGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCO2)ccc1OCC(N)=O 6181187 BPXVABSVFZKNRK-MZTACXPWSA-N 345.355 0.719 50 40 ECGB CC(=O)NNC(=O)CSc1nnnn1-c1ccc(Cl)cc1 7585477 QPZUOECGOGCLOU-UHFFFAOYSA-N 326.769 0.575 50 40 ECGB COc1ccccc1C(=O)NCC(=O)NNC(=O)Cc1ccccc1 16595634 LYFZWWVWVLOMQW-UHFFFAOYSA-N 341.367 0.815 50 40 ECGB C#CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1OC 5512750 NRHCOGWKMWUHIO-LDADJPATSA-N 329.356 0.780 50 40 ECGB O=S1(=O)C[C@H](Cl)[C@H](NC(=S)Nc2ncnc3[nH]cnc23)C1 575421666 KUPZXWXAYKFZGS-NTSWFWBYSA-N 346.825 0.044 50 40 ECGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 2449182 AWTYFQJESBHIPF-SECBINFHSA-N 327.256 0.602 50 40 ECGB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)NNC(N)=O 5656752 LLBPRRGIWIKUAT-UHFFFAOYSA-N 331.423 0.115 50 40 ECGB CCCCn1c(SCC(=O)NNC(=O)c2ccccc2)n[nH]c1=O 7344893 UAHYUIJAJFHBSB-UHFFFAOYSA-N 349.416 0.925 50 40 ECGB CCOC(C)(OCC)C(=O)NNC(=O)CCNC(=O)OC(C)(C)C 584933364 MZRAMMDUHHRKRO-UHFFFAOYSA-N 347.412 0.838 50 40 ECGB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NN)cc1 179325 XADHSRFALGIDAW-OAHLLOKOSA-N 333.413 0.875 50 40 ECGB COc1cc([C@H]2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc2c1OCO2 15109274 CKXICSOZFMXATJ-NSHDSACASA-N 340.295 0.725 50 40 ECGB CNC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 8091866 RUEXHBBIFWFNKO-LHHJGKSTSA-N 330.138 0.359 50 40 ECGB O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 37868841 UVVSZBFHGQVCLP-VCHYOVAHSA-N 327.300 0.756 50 40 ECGB CCC(=O)NC(=S)NNC(=O)COc1ccc([N+](=O)[O-])cc1 2690785 CWNMMGRIMFLRNN-UHFFFAOYSA-N 326.334 0.406 50 40 ECGB O=C(CCC(=O)NNC(=O)c1cccc(F)c1)NC[C@H]1CCCO1 4700493 IXDLKIPZUDWVKI-CYBMUJFWSA-N 337.351 0.662 50 40 ECGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1n[nH]c2ccccc12 15941692 CEDYVZSVPWLBOS-UHFFFAOYSA-N 348.322 0.874 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1 104366004 CPEITQVIBMFAAK-BENRWUELSA-N 340.339 0.724 50 40 ECGB CCOC(=O)/C=C/C(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1 1794744 RKJQWVLTXMKWEL-BQYQJAHWSA-N 337.288 0.240 50 40 ECGB O=C(N/N=C/c1ccc2c(c1)OCCO2)C(=O)Nc1ccccn1 408718368 UNINDJLGRXHVJP-VCHYOVAHSA-N 326.312 0.942 50 40 ECGB Cc1nn([C@H](C)C(=O)N/N=C/c2c(C)nn(C)c2F)cc1[N+](=O)[O-] 252478682 ASFNAQWNUBUUBS-DXLPTXHLSA-N 337.315 0.992 50 40 ECGB COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 157757401 QRVYAJSLUBOLDY-MNOVXSKESA-N 339.822 0.378 50 40 ECGB Cc1ccc(S(=O)(=O)NNC(=O)c2cccnc2)cc1[N+](=O)[O-] 35686041 OCEHDEPIOQDFKH-UHFFFAOYSA-N 336.329 0.922 50 40 ECGB CCc1ccc(/C=N/NC(=O)C(=O)NCCN2CCOCC2)cc1 59483233 GETGVQAHSWFTPZ-CPNJWEJPSA-N 332.404 0.148 50 40 ECGB O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccccc1F 32967460 SZPRYAFMPBMYAS-UHFFFAOYSA-N 348.334 0.451 50 40 ECGB C[C@]1(C(N)=O)CC[C@H]([C@@H]2NC(=O)NC2=O)[C@@]1(C)CBr 675009592 MGTXYUZTPYUGHX-HBNNVMOKSA-N 332.198 0.497 50 40 ECGB COCc1cc(C)n(CC(=O)N/N=C(\C)CC(C)=O)c(=O)c1C#N 100244070 ZBEDKHKATNCGMH-VCHYOVAHSA-N 332.360 0.646 50 40 ECGB O=C(O)/C=C\C(=O)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1 409374897 BEHCOBDZMDDOPP-FPLPWBNLSA-N 343.295 0.934 50 40 ECGB CC(=O)N/N=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12 33322800 IVFGUNXXTOBRMD-ZDLGFXPLSA-N 328.372 0.970 50 40 ECGB Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1C 157763622 DTQFYRVGKSJORJ-RYUDHWBXSA-N 337.850 0.986 50 40 ECGB CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)Oc3[nH]nc(C)c32)c2ccccc21 139760 LGTYOGSTLZPWJO-QGZVFWFLSA-N 335.323 0.984 50 40 ECGB CC(C)c1c(C(=O)N/N=C/c2ccncc2)nnn1-c1nonc1N 533546 ZWNPRVQREJNLAH-REZTVBANSA-N 341.335 0.515 50 40 ECGB O=C(CNC(=O)c1ccco1)N/N=C/c1cc([N+](=O)[O-])ccc1O 36020390 GWICSVBJFWFZFA-FRKPEAEDSA-N 332.272 0.774 50 40 ECGB N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)C(=O)N1CCOCC1 33721968 QBPHEOQKPSKVSF-LCYFTJDESA-N 338.367 0.892 50 40 ECGB Cc1c(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)cnn1C 71285267 SCZSDVSHPSYJIX-UHFFFAOYSA-N 345.384 0.900 50 40 ECGB O=C(NNC(=O)[C@@H]1CCS(=O)(=O)C1)C1C2CC3CC(C2)CC1C3 52398632 PBZVLHDSUOCRPJ-IHHDOHNISA-N 340.445 0.641 50 40 ECGB COc1cc(/C=N/NC(=O)C(=O)NCc2ccncc2)ccc1O 58884579 YIEOSGFPBXGEBU-VXLYETTFSA-N 328.328 0.562 50 40 ECGB CN(/N=C/c1ccc2c(c1)OCO2)C(=O)Cn1cnc([N+](=O)[O-])n1 58521 ZJGYBVSUZQWOEL-PJQLUOCWSA-N 332.276 0.408 50 40 ECGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 25259742 GNDJBVOYBDKXEF-UFBFGSQYSA-N 336.348 0.259 50 40 ECGB Cc1ccc(C)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)c1 157767994 XPKXNBQTIUWXON-MNOVXSKESA-N 337.850 0.986 50 40 ECGB N[C@H](CSSC[C@@H](NC(=O)c1ccccc1)C(=O)O)C(=O)O 1581117 VCMITNDKIAKQSE-NXEZZACHSA-N 344.414 0.663 50 40 ECGB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccccc1O 6415619 DGHQRFATBDYTHG-JBBSTSQOSA-N 332.312 0.198 50 40 ECGB O=C(CNc1ccccc1)NNC(=O)c1ccc2c(c1)OCC(=O)N2 84553407 JOFJZUWGYMQWKC-UHFFFAOYSA-N 340.339 0.891 50 40 ECGB O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@H](B(O)O)C1 585077110 QBTFYQDDQJIYBO-JTQLQIEISA-N 330.109 0.469 50 40 ECGB CC1=C(n2nnc([N+](=O)[O-])n2)[C@H](c2cccnc2)C(C#N)=C(N)O1 8442536 XUOGZDUYWLQACW-SNVBAGLBSA-N 326.276 0.673 50 40 ECGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)Cc1ccccc1 6584701 CLIQBZQNQIFGHL-WOJGMQOQSA-N 346.412 0.994 50 40 ECGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CC(=O)N(C2CC2)C1 29558219 GWDKOPHTJIHNCE-MNOVXSKESA-N 349.362 0.751 50 40 ECGB N#Cc1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)c1 157771720 MVIKLOZEHDBTBU-QWRGUYRKSA-N 334.806 0.241 50 40 ECGB O=C(NN[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O)c1cccnc1 100128063 VMQQAMFXFZPEDK-ZDUSSCGKSA-N 328.303 0.787 50 40 ECGB O=C(CNC(=O)c1ccncc1)N/N=C/c1cccc([N+](=O)[O-])c1 1953930 CCAGOKCJKHRHFS-GIJQJNRQSA-N 327.300 0.870 50 40 ECGB N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(OCC(N)=O)cc1 2272075 XEXVSEYRDWRUCT-UHFFFAOYSA-N 327.369 0.769 50 40 ECGB COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccn2)cc1 223160159 XUYWKRJISRVJIR-ZDLGFXPLSA-N 326.312 0.957 50 40 ECGB CCn1ncc(/C=N/NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1F 252492731 MUNMABZDHNHIKZ-XVBMGZJVSA-N 345.400 0.164 50 40 ECGB COCCNC(=S)NNC(=O)COc1cccc(N(C)C)c1 408586167 MFSNOCHLIUHBLT-UHFFFAOYSA-N 326.422 0.273 50 40 ECGB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN)C2)cc1C 9974279 XVSPCKURIGSXLD-LLVKDONJSA-N 327.406 0.394 50 40 ECGB Cc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)s1 409164764 NNFCFSMYVVDOAW-GZTJUZNOSA-N 338.433 0.345 50 40 ECGB COC(=O)N[C@@H](C)C(=O)NNC(=O)CSc1ccc(C)cc1 89639222 KZBFHDGAMPOBJY-JTQLQIEISA-N 325.390 0.979 50 40 ECGB COc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1 192868 KOVYCSLGSRYKED-FRKPEAEDSA-N 342.319 0.313 50 40 ECGB CCn1nc(C(=O)NNC(=O)[C@H]2CCCO2)c2ccccc2c1=O 12923442 JZQHFNKKBIIPEP-GFCCVEGCSA-N 330.344 0.356 50 40 ECGB CN(C)c1nc(C(=O)N/N=C/c2ccc(O)cc2)nc(N(C)C)n1 4507047 VZORTCMXIRKTGJ-CXUHLZMHSA-N 329.364 0.473 50 40 ECGB O=C(/C=C/c1cnccn1)NNC(=O)c1ccc2c(c1)OCCO2 84452066 VADFDXZLCHBTGL-DUXPYHPUSA-N 326.312 0.722 50 40 ECGB CN1CCN(c2ccc(/C=N/NC(=O)CC#N)cc2[N+](=O)[O-])CC1 5393787 KANQKXHGMHEXPM-GZTJUZNOSA-N 330.348 0.710 50 40 ECGB COc1ccc(S(=O)(=O)NNC(=O)C(C)C)cc1NC(C)=O 6881313 MQHLHKZUOWNMPP-UHFFFAOYSA-N 329.378 0.619 50 40 ECGB O=C(NNC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1 14213192 FMWVNTVLKXGSPT-UHFFFAOYSA-N 326.356 0.993 50 40 ECGB C/C(CC(=O)N1CCN(C)CC1)=N\NC(=O)c1ccc(O)c(O)c1 14920446 GLVZEBOKTUECDT-GZTJUZNOSA-N 334.376 0.368 50 40 ECGB Cc1noc(C)c1CC(=O)NNC(=O)Cc1cn2ccsc2n1 8133730 JKGJSAZRUYPXEQ-UHFFFAOYSA-N 333.373 0.933 50 40 ECGB Cc1cc(=O)[nH]c(SCC(=O)NNC(=O)c2ccccc2C)n1 6413597 WEMFBABVBRNJQP-UHFFFAOYSA-N 332.385 0.940 50 40 ECGB Cc1ccc2cc(C(=O)NNC(=O)[C@@H]3CCS(=O)(=O)C3)[nH]c2c1 75831920 OZYJKFNPGLXBRI-LLVKDONJSA-N 335.385 0.672 50 40 ECGB CC(C)CC(=O)NNC(=O)c1ccc(CCNS(C)(=O)=O)cc1 21972462 RXGCBWUTEKYZTF-UHFFFAOYSA-N 341.433 0.585 50 40 ECGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1 3061863 FSDCLIHSHRWGBB-RGVLZGJSSA-N 340.339 0.635 50 40 ECGB CNS(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)C(C#N)=C2C)cc1 6694179 MPBUQPCBJZZLAE-JYRVWZFOSA-N 346.368 0.387 50 40 ECGB O=C(O)[C@H]1[C@H]2O[C@@H]([C@@H](Br)[C@H]2Br)[C@@H]1C(=O)O 100133707 YAUAFDGEUWEBOP-XCMZKKERSA-N 343.955 0.696 50 40 ECGB in-vitro O=C(NNC(=S)NC(=O)c1cccnc1)c1ccc2c(c1)OCO2 2376345 GECMOMLTLVTMEG-UHFFFAOYSA-N 344.352 0.760 50 40 ECGB CC(C)CNC(=O)NNC(=O)c1csc(N2CCOCC2)n1 9790304 HRNSQSDYVIKKIV-UHFFFAOYSA-N 327.410 0.580 50 40 ECGB COC(=O)CN1C(=O)/C(=N/NC(=O)c2cc(C)n[nH]2)c2ccccc21 100889456 QXHUOKKOBUTDEU-XMHGGMMESA-N 341.327 0.372 50 40 ECGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 36020633 QNNIIZQWYUHKPA-FRKPEAEDSA-N 332.272 0.774 50 40 ECGB O=C(CCC(=O)N1CCOCC1)NNC(=O)CCc1ccccc1 199412632 CKXMBJYEZLBTNU-UHFFFAOYSA-N 333.388 0.406 50 40 ECGB CCCc1nnc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575420999 GDUOTNPBKAVCMA-NKWVEPMBSA-N 338.842 1.017 50 40 ECGB C[Si]1(C)OCCOCCOCCOCCOCCOCCO1 196289469 BPNYIGBCONYDAK-UHFFFAOYSA-N 338.473 0.818 50 40 ECGB O=C(NN[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O)c1ccncc1 104346414 DQZJFIPJBRYXJJ-CYBMUJFWSA-N 346.293 0.926 50 40 ECGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-] 3140863 LOXPSSOTSTVSDA-VIFPVBQESA-N 327.256 0.602 50 40 ECGB O=C(Nc1cccc(C(=O)NNC(=O)[C@H]2CCCO2)c1)NC1CC1 56569828 ITVSYUGYPKOJBO-CYBMUJFWSA-N 332.360 0.911 50 40 ECGB COc1ccc(S(=O)(=O)N2CCC(C(=O)NN)CC2)cc1OC 408970711 CIYOZNQUVXWHPW-UHFFFAOYSA-N 343.405 0.094 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 104802050 YMJHTGNUZWPGSH-NQLVBIITSA-N 333.344 0.030 50 40 ECGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@@H]1Cc2ccccc2O1 12847073 UKCCNJXBPSCHMA-HOTGVXAUSA-N 340.335 0.978 50 40 ECGB O=C(NNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1ccccn1 9954808 MKWSZEOKHKOZAA-UHFFFAOYSA-N 334.313 0.139 50 40 ECGB O=C(NNC(=S)NCCCN1CCOCC1)c1ccccc1F 36611811 HEDWBRREELMPFG-UHFFFAOYSA-N 340.424 0.657 50 40 ECGB Cn1cccc1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 5860754 ZGVSDOGFPBYPCL-UHFFFAOYSA-N 346.299 0.551 50 40 ECGB Nc1nc(NNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ncc1F 408722348 SOBWOZORFMBMTR-UHFFFAOYSA-N 337.227 0.771 50 40 ECGB Cn1c(=O)c2[nH]c(CN(CCCl)CCCl)nc2n(C)c1=O 4715205 PXODCBRVIULVBT-UHFFFAOYSA-N 334.207 0.240 50 40 ECGB O=C(CCNC(=O)c1ccc(F)cc1F)NNC(=O)c1cccnc1 22593592 KSZQZKSNXNYOCS-UHFFFAOYSA-N 348.309 0.941 50 40 ECGB Nc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)s1 2646113 UWJOGQXOXPUZFO-UHFFFAOYSA-N 327.366 0.813 50 40 ECGB O=C(CCl)NCc1ccccc1CS(=O)(=O)N1CCOCC1 32626880 KMICSIPZCUNJIX-UHFFFAOYSA-N 346.836 0.704 50 40 ECGB in-vitro Cn1c(/C=N/N(CCCl)CCCl)nc2c1c(=O)[nH]c(=O)n2C 104387581 WGBGBUKBVUGCAJ-VIZOYTHASA-N 347.206 0.074 50 40 ECGB O=C(COc1ccc(/C=N/NC(=O)CO)cc1)NCc1ccco1 4525720 PRALMNPBPIIYPY-QGMBQPNBSA-N 331.328 0.417 50 40 ECGB NCCCCCCNC(=S)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 40167860 ZBEUFSGONMVSQH-NXEZZACHSA-N 327.903 0.374 50 40 ECGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(Cl)cc1O 8873255 WGIZUQCDYQNNNI-AWNIVKPZSA-N 339.699 0.746 50 40 ECGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)[C@H](C)NC(N)=O)cc1 32969067 GGJOGLVKWFHZOV-LBPRGKRZSA-N 343.387 0.912 50 40 ECGB Cc1cc(C)nc(NNC(=O)Cn2c(=O)n(C)c3ccccc32)n1 22236114 HJCQZOOFFDBBFE-UHFFFAOYSA-N 326.360 0.890 50 40 ECGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccc2c(c1)OCO2 59433926 UBWYCSSDUTUDEA-DJKKODMXSA-N 326.312 0.577 50 40 ECGB Nc1nc(=O)n(-c2ccc([N+](=O)[O-])cc2)c2c1nc(N)n2CCl 494602 ZBMSGQBGMISLCX-UHFFFAOYSA-N 335.711 0.851 50 40 ECGB O=C(CC(=O)N/N=C\c1ccccc1C(=O)O)NCc1cccnc1 58885201 HHYVXSFHMWHZOQ-JAIQZWGSSA-N 340.339 0.936 50 40 ECGB CNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccs2)c1 8324142 GTPKXFDOTHUYTE-UHFFFAOYSA-N 339.398 0.731 50 40 ECGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 348198 HCCKKPIZFRNSQF-NSHDSACASA-N 344.758 0.956 50 40 ECGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 2351376 JSBGGNBPVGPRLX-AGZSBTIMSA-N 333.344 0.219 50 40 ECGB CC1(CC(=O)N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)OCCCO1 408718839 ANSFUHXQMWYTPK-OVCLIPMQSA-N 339.304 0.999 50 40 ECGB C/C(CC(=O)Nc1ccccc1Cl)=N\NC(=O)C(=O)NCCO 12362252 QHKZALDSFRRVKN-GIJQJNRQSA-N 340.767 0.269 50 40 ECGB C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1cccc([N+](=O)[O-])c1 14920096 YBSNVVZUGXZKOX-KPKJPENVSA-N 334.252 0.295 50 40 ECGB CS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(CO)cc2)c1 44980595 FFIIEWUMXHJQMP-UHFFFAOYSA-N 348.380 0.657 50 40 ECGB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NNC(N)=O)C2=O)c(C)c1 408533734 OXDWVJHIMXJOFQ-UXBLZVDNSA-N 331.332 0.251 50 40 ECGB CC(C)CC(=O)NNC(=O)C[C@](O)(c1nccn1C)C(F)(F)F 12548274 DBYFPDRQOXWBIT-LBPRGKRZSA-N 336.314 0.754 50 40 ECGB N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(N)=O 408809447 HBWMVHJITXYTCY-XETPBLJFSA-N 329.356 0.753 50 40 ECGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2cc(F)ccc2F)n1 8108109 IXIJIPLQUUBVSL-UHFFFAOYSA-N 344.343 0.788 50 40 ECGB Cn1ncc(Cl)c1C(=O)NNC(=O)CCn1cc([N+](=O)[O-])cn1 17071482 UKSCBDROJIDGAT-UHFFFAOYSA-N 341.715 0.030 50 40 ECGB O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 318668 NNZYLMOVUXZIFW-UHFFFAOYSA-N 337.313 0.924 50 40 ECGB O=S1(=O)C[C@H](NC(=S)OCCCCCCO)[C@@H](Cl)C1 40167930 YAENFYNORYTSGN-UWVGGRQHSA-N 329.871 0.835 50 40 ECGB Cn1c(CC(=O)NNC(=S)NC[C@@H]2CCCO2)nc2ccccc21 16276060 LZVVNTXUYAUIES-NSHDSACASA-N 347.444 0.790 50 40 ECGB O=C(O)CCC(=O)NNC(=O)c1cc(Br)ccc1O 2214079 DDKKCSFSRMWTHT-UHFFFAOYSA-N 331.122 0.781 50 40 ECGB CCCCn1c(N)c(N(CCOC)C(=O)CCl)c(=O)[nH]c1=O 3337380 RJBTYJAFFIIDAV-UHFFFAOYSA-N 332.788 0.137 50 40 ECGB CCCCNS(=O)(=O)c1ccc(OCC(=O)NN)c(Cl)c1 408627079 XXRUPJSHFGVINY-UHFFFAOYSA-N 335.813 0.787 50 40 ECGB CCc1ccc(C(=O)N2CCN(CC(=O)NNC(C)=O)CC2)cc1 27748370 KWOFFZOLGVMDLE-UHFFFAOYSA-N 332.404 0.174 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 104405727 FPFPZFKDZRGUMX-UZQWBTNVSA-N 347.371 0.420 50 40 ECGB O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc([N+](=O)[O-])cc1 127201727 ZAFILOHNDKXKDO-DJIHRAIXSA-N 345.311 0.879 50 40 ECGB O=C(NNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1)c1cccnc1 226862497 XKOGMXDUAKIFMC-UHFFFAOYSA-N 340.292 0.752 50 40 ECGB Nn1c(NNC(=O)c2ccccc2)nnc(-c2cccs2)c1=O 7652392 ZAPZGQICSCUJDA-UHFFFAOYSA-N 328.357 0.838 50 40 ECGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1O 59515818 LVYRYVNMLGNUMM-BEAUZRKQSA-N 335.360 0.536 50 40 ECGB CCCCC(=O)NN/C=C1/C(=O)N=C(O)N(Cc2ccco2)C1=O 2252190 APQGZXSXLUUMEN-FLIBITNWSA-N 334.332 0.757 50 40 ECGB NNC(=O)[C@@H]1CN(C(=O)COc2ccccc2)c2ccccc2O1 225328929 KJAICSZYRTXBMC-HNNXBMFYSA-N 327.340 0.850 50 40 ECGB CC(=O)NNC(=O)CN1CCN(C(=O)c2cc(C)cc(C)c2)CC1 27449129 BYSNXJVDKYETNU-UHFFFAOYSA-N 332.404 0.229 50 40 ECGB Cc1ccccc1N1CCN([C@@H](C)Cn2cc(C(=O)NN)nn2)CC1 98212437 AJCBWVIWKSZGBE-AWEZNQCLSA-N 343.435 0.401 50 40 ECGB CC(C)CCN1C(=O)/C(=N\NC(=O)CCC(=O)NN)c2ccccc21 27986334 WPYCBGKLHBCUKR-PGMHBOJBSA-N 345.403 0.670 50 40 ECGB CCCc1c(C(=O)N/N=C/c2ccoc2)nnn1-c1nonc1N 2448481 YDQGMNJCEZAQLZ-GIDUJCDVSA-N 330.308 0.542 50 40 ECGB COC(=O)c1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1 3127092 BGBXHPLEIRCFIE-GIJQJNRQSA-N 329.312 0.833 50 40 ECGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N\NC(=O)CN1CCOCC1 408989437 HSDJOOUZUNLWCI-GZQZNAIASA-N 343.387 0.460 50 40 ECGB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 348195 HCCKKPIZFRNSQF-LLVKDONJSA-N 344.758 0.956 50 40 ECGB O=C(NCCN1CCOCC1)C(=O)N/N=C/c1cccc(Cl)c1 59483235 NWYGSRSKTQHQSB-WOJGMQOQSA-N 338.795 0.239 50 40 ECGB O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1 12600077 JBKHSDYFLUIIES-UHFFFAOYSA-N 336.325 0.714 50 40 ECGB C[C@H]1CCc2sc(C(=O)NNC(=O)[C@@H]3CN(C)CCO3)cc2C1 81229751 GBUBOLUCYYQICU-JQWIXIFHSA-N 337.445 0.965 50 40 ECGB COC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCC(C)C)cc1 58872965 IZAFJXRVFHIEIN-GRSHGNNSSA-N 349.387 0.851 50 40 ECGB Cn1ncc2c(SCC(=O)NNC(=O)c3ccco3)ncnc21 8734564 OQHNKQDRIBBKQE-UHFFFAOYSA-N 332.345 0.510 50 40 ECGB Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)c2ccncc2)cc1 5929591 PQKYILUWDMXXPF-UHFFFAOYSA-N 334.357 0.723 50 40 ECGB CCOC(=O)NNC(=O)CN1C(=O)COc2ccc(Cl)cc21 23448519 ZYQFDDUWJLJXEF-UHFFFAOYSA-N 327.724 0.843 50 40 ECGB CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2nccnc2N)cc1 11237980 XBGGVLKWIDSFKS-JTQLQIEISA-N 345.359 0.686 50 40 ECGB O=C(CCl)NNC(=O)c1cc(NC(=O)CCl)cc([N+](=O)[O-])c1 4197199 RQLDNMUVYZWQLX-UHFFFAOYSA-N 349.130 0.772 50 40 ECGB CCc1n[nH]c(SCC(=O)NNC(=O)Cc2ccc(OC)cc2)n1 4623198 NOWPPNMGLQEXAX-UHFFFAOYSA-N 349.416 0.858 50 40 ECGB O=C(Cc1c(F)cccc1Cl)NNC(=O)[C@H]1CCS(=O)(=O)C1 7955345 NNQFUFPKRPJJLQ-QMMMGPOBSA-N 348.783 0.604 50 40 ECGB O=C(N/N=C/c1ccc(Br)cc1)c1c[nH]c(=O)[nH]c1=O 28194 UTJJIHGCXYMALJ-PJQLUOCWSA-N 337.133 0.590 50 40 ECGB Cc1nn(CCC(=O)NNC(=S)NC2CC2)c(C)c1[N+](=O)[O-] 2787763 XFPMMJBJTROTDC-UHFFFAOYSA-N 326.382 0.456 50 40 ECGB Cc1ccc(C(=O)NNC(=O)CSc2nc(C)cc(=O)[nH]2)cc1 5530074 GAHHDQTXVRAOJI-UHFFFAOYSA-N 332.385 0.940 50 40 ECGB COC(=O)COc1cccc(/C=N/NC(=O)CN2CCOCC2)c1 59472877 KUJWMGDTJPBNKA-LICLKQGHSA-N 335.360 0.021 50 40 ECGB O=C(NNC(=S)NC(=O)c1ccccc1[N+](=O)[O-])c1ccncc1 12501194 KZTKHYHCQPCKNY-UHFFFAOYSA-N 345.340 0.939 50 40 ECGB Cc1ccc(C)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)c1 157767707 XPKXNBQTIUWXON-QWRGUYRKSA-N 337.850 0.986 50 40 ECGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(F)c(F)c2)n1 7386799 SGJZYJBGNBYXCU-UHFFFAOYSA-N 344.343 0.788 50 40 ECGB CCOc1cc(/C=N/NC(C)=O)ccc1OCC(=O)N1CCOCC1 409010947 GJTORRVJCNNFQS-WOJGMQOQSA-N 349.387 0.793 50 40 ECGB NNC(=O)Cc1nc(CNc2ccc(Br)cc2)n[nH]1 40175881 MGZVRAOVDWYOCN-UHFFFAOYSA-N 325.170 0.712 50 40 ECGB COc1cccc(OCC(=O)NNC(=O)C(=O)NC2CCCCC2)c1 3255940 SMCHEGCKOBSTPH-UHFFFAOYSA-N 349.387 0.670 50 40 ECGB O=C(CSCC(=O)N1CCCCC1)NNC(=O)c1ccco1 29654393 JLMVRQYEORYNTA-UHFFFAOYSA-N 325.390 0.786 50 40 ECGB CCn1nc(C(=O)NNC(=O)c2cccnc2)c2ccccc2c1=O 13019976 DXYHBPICVCAJAH-UHFFFAOYSA-N 337.339 0.886 50 40 ECGB C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(O)cc1 25762046 FKFFTHREENFEFO-FRKPEAEDSA-N 342.319 0.401 50 40 ECGB O=C(CCCO)NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 2728200 MZVVWGUYIHHVQI-LLVKDONJSA-N 325.752 0.365 50 40 ECGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Sc2nc(N)cc(N)n2)cc1 4125094 QEGBTDBJIUFJHP-SECBINFHSA-N 346.416 0.891 50 40 ECGB COc1cccc(C(=O)NCC(=O)NNC(=O)c2cccs2)c1 12855052 ZCFRYXPOUZFHKL-UHFFFAOYSA-N 333.369 0.948 50 40 ECGB COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c(OC)c1 7782430 OYPKWENHZPHFMW-VVSAQIQQSA-N 335.360 0.449 50 40 ECGB NNC(=O)/C(NC(=O)c1ccccc1)=C(/N)c1cccc([N+](=O)[O-])c1 104283973 DMAKTCPTTKQRGI-YPKPFQOOSA-N 341.327 0.642 50 40 ECGB O=C(COc1ccccc1)NC(=S)NNC(=O)c1ccncc1 6529934 KWUHUQDJHBEJCV-UHFFFAOYSA-N 330.369 0.796 50 40 ECGB COc1cc(/C=N/NC(C)=O)ccc1OCC(=O)N1CCOCC1 7946695 SIDCUZPOVYDFIK-LICLKQGHSA-N 335.360 0.403 50 40 ECGB O=C(COC1CCCCC1)NNC(=O)CN1CCCCCC1=O 70018629 SMTKXPXPOWQRKS-UHFFFAOYSA-N 325.409 0.886 50 40 ECGB Cc1n[nH]c2c1[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)C(C#N)=C(N)N2 19624538 ZOTCUIMTYUFAAP-HNNXBMFYSA-N 337.299 0.984 50 40 ECGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2)c2ccccc21 100511401 MPJDJDUOENCFQB-PGMHBOJBSA-N 336.351 0.913 50 40 ECGB COC(=O)c1ccsc1NC(=O)C(=O)NNC(=O)c1ccccc1 96013249 OTLKKZHAKIAXEQ-UHFFFAOYSA-N 347.352 0.934 50 40 ECGB CC(C)(C)c1nnc(NNC(=O)c2c[nH]c3ccccc23)n(N)c1=O 5937567 PZOJYJDIWKYGAO-UHFFFAOYSA-N 341.375 0.888 50 40 ECGB Cn1cccc1C(=O)NNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 32780575 DSJCKFDEHFFBHP-UHFFFAOYSA-N 348.384 0.533 50 40 ECGB O=C(O)CCC(=O)NNC(=O)COc1ccc(Br)cc1 12582822 VHHQGPQUYSQTHS-UHFFFAOYSA-N 345.149 0.840 50 40 ECGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(C(=O)O)cc1 101110733 CIAYQRDHIQRHSY-CPNJWEJPSA-N 342.311 0.354 50 40 ECGB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NN)C2)cc1OC 408556255 ZUNWWQQCPRYTSE-JTQLQIEISA-N 343.405 0.094 50 40 ECGB CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CCl)CC2)c1 8329234 APBIKPSHQREJIL-UHFFFAOYSA-N 344.820 0.961 50 40 ECGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O 9232831 FGYIQVHXICVTKD-PFJSLNBISA-N 336.304 0.046 50 40 ECGB C/C(CC(=O)NCc1cccnc1)=N/NC(=O)C(=O)NCC(C)C 4357541 QDPKDZBCFWWEPY-NDENLUEZSA-N 333.392 0.352 50 40 ECGB N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(N)=O 408809429 HBWMVHJITXYTCY-NRUITVPNSA-N 329.356 0.753 50 40 ECGB CC(=O)N1C(=O)[C@]2(C(=O)N(C(C)=O)C(N)=C2C#N)[C@]2(C)CCCC=C12 96336622 OWNMIOKIFHIOJB-IAGOWNOFSA-N 342.355 0.518 50 40 ECGB COc1ccccc1NC(=O)C(=O)NNS(=O)(=O)c1ccccc1 3666089 HZCRANFQXSNDQP-UHFFFAOYSA-N 349.368 0.643 50 40 ECGB C=CCNC(=S)NNC(=O)CSc1nc(C)cc(N(C)C)n1 3121549 LFFQFLSWPXZRGI-UHFFFAOYSA-N 340.478 0.624 50 40 ECGB CCc1sc(C(=O)NNC(=O)CN2CSCC2=O)cc1C 8027818 CDSGSJZDEZOBGG-UHFFFAOYSA-N 327.431 0.913 50 40 ECGB CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCC#N 15018825 ACMSVGOSPWKUPG-XDHOZWIPSA-N 346.387 0.770 50 40 ECGB O=C(O)C[C@H](NCc1ccco1)C(=O)NNC(=O)c1ccccc1 72334066 FBMUPGGTZADXRQ-ZDUSSCGKSA-N 331.328 0.674 50 40 ECGB C[C@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58882290 NIWXDCFIKVXJEH-DFTVGVHOSA-N 349.387 0.192 50 40 ECGB C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 58882309 RZNAWGDVADAJSD-DKSCHZSNSA-N 345.355 0.806 50 40 ECGB O=C(CCC(=O)NNC(=O)c1ccccn1)NCc1ccccc1 4588931 XRVYWYMNPZILKZ-UHFFFAOYSA-N 326.356 0.939 50 40 ECGB O=C(NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccccc1 226859729 VLUCEKYZFOJTAG-UHFFFAOYSA-N 345.336 0.194 50 40 ECGB Cc1cc(C)c(S(=O)(=O)NNC(=O)C(=O)NC2CC2)c(C)c1 14093545 JRANCYQKHNTKCK-UHFFFAOYSA-N 325.390 0.200 50 40 ECGB C[C@@H](C(=O)NNC(=O)C1CC1)N1CCN(c2ccc(F)cc2)CC1 70014476 STWDRBCVGZGRJW-LBPRGKRZSA-N 334.395 0.894 50 40 ECGB O=C(CNC(=O)c1ccccc1F)NNC(=O)c1ccccc1O 9884169 HDFXMFFSHACABF-UHFFFAOYSA-N 331.303 0.722 50 40 ECGB N#C/C(C(=O)NN1C(=O)C=CC1=O)=C(\O)c1ccc([N+](=O)[O-])cc1 102043057 WSHDOGDDAHRDJI-JLHYYAGUSA-N 328.240 0.344 50 40 ECGB NNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl 33558016 VMAKQWPWDSVYOP-UHFFFAOYSA-N 333.797 0.493 50 40 ECGB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 36589976 HEZKANAEKSLIES-VGMNWLOBSA-N 340.829 0.420 50 40 ECGB C/C(N)=C(/C#N)C(=O)COC(=O)CCS(=O)(=O)c1ccccc1 6157446 DVEXFNWSWXWRRL-ACCUITESSA-N 336.369 0.719 50 40 ECGB Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)c(C)c1 157762730 BUKCKEMFQPEXQH-MNOVXSKESA-N 337.850 0.986 50 40 ECGB C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1cc(Cl)n(C)n1 12362444 KCQDSRBDOBGTQH-AWNIVKPZSA-N 326.704 0.379 50 40 ECGB COCCn1c(SCC(=O)NNC(=O)C(C)C)nnc1C(C)C 4879385 BJVJBNIEEFRLCS-UHFFFAOYSA-N 343.453 0.943 50 40 ECGB COc1cc(/C=N/NC(=O)CC(=O)NCc2cccnc2)ccc1O 59461584 YRPHNCOEOHRADG-RGVLZGJSSA-N 342.355 0.952 50 40 ECGB O=C(NNC(=O)c1cccnc1N1CCOCC1)c1ccccn1 21960838 WZUKALWZQZKPGY-UHFFFAOYSA-N 327.344 0.388 50 40 ECGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2O)s1 408732499 VVXAXWLBRDUAEF-MKMNVTDBSA-N 335.345 0.601 50 40 ECGB CCn1ncc(/C=N/NC(=O)C2CCN(S(C)(=O)=O)CC2)c1F 252482113 CYPMKKWNXIHQHZ-OVCLIPMQSA-N 345.400 0.164 50 40 ECGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 6953887 FYNCDVAKXLSFHY-YBFXNURJSA-N 346.387 0.274 50 40 ECGB Cc1ccc(S(=O)(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 4392999 ZFZKYTQIFXVXQP-LLVKDONJSA-N 346.430 0.129 50 40 ECGB O=C(NNC(=O)[C@@H]1CCS1(=O)=O)c1ccc(Br)cc1 1615585946 IJFNSUIEDNYCRO-VIFPVBQESA-N 347.190 0.397 50 40 ECGB COc1cc(/C=N/NC(=O)C(N)=O)ccc1OC(=O)c1cccs1 3252239 UAAMWUXDWGJJIL-CAOOACKPSA-N 347.352 0.911 50 40 ECGB Cc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2ccccc2)cc1 95116920 XOYVTRHUFXCKKM-UHFFFAOYSA-N 347.396 0.735 50 40 ECGB C[C@]1(C(N)=O)CC[C@H]([C@H]2NC(=O)NC2=O)[C@@]1(C)CBr 675009608 MGTXYUZTPYUGHX-XWTBWJTNSA-N 332.198 0.497 50 40 ECGB O=S1(=O)C[C@H](S[C@@H]2CS(=O)(=O)C[C@@H]2Cl)[C@H](Cl)C1 5003594 QILPMJSGBSRGJX-SOSBWXJGSA-N 339.287 0.528 50 40 ECGB CCCc1c(C(=O)N/N=C/c2ccncc2)nnn1-c1nonc1N 1873517 WZUUKYCHDRANSC-CAOOACKPSA-N 341.335 0.344 50 40 ECGB CN1N=C(C(=O)NNC(=O)c2cn(C)c3ccccc23)CCC1=O 10736956 IAVHNVBYOJLXJV-UHFFFAOYSA-N 327.344 0.548 50 40 ECGB NC(=O)c1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1 217380347 BQEUMAOVTJMPDR-NSHDSACASA-N 330.793 0.544 50 40 ECGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(C(=O)O)cc1 2267739 RNLCIEBMEQDTCS-VIZOYTHASA-N 346.255 0.975 50 40 ECGB Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1CCBr 12549611 ZNODTOASYGUFOG-UHFFFAOYSA-N 340.181 0.688 50 40 ECGB ClCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1 3671719 JUZBKMMKRSZBSY-UHFFFAOYSA-N 329.788 0.162 50 40 ECGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3cccnc3)C2=O)cc1 100097011 DDRXMSVRXCHRHN-AWEZNQCLSA-N 340.339 0.657 50 40 ECGB Cc1nnc(NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)[nH]c1=O 22383311 HOLXRHCBGNVWTC-CYBMUJFWSA-N 345.359 0.788 50 40 ECGB O=C(NN/C=C1/C(=O)N(C2CC2)C(=S)N=C1O)c1ccccc1O 1262744 REHUUQHEQSKOOQ-JXMROGBWSA-N 346.368 0.757 50 40 ECGB C/C(=N\NC(=O)c1ccccc1F)c1c(C)nnn1-c1nonc1N 63119 CJUUWWYKXNUPNZ-REZTVBANSA-N 344.310 0.834 50 40 ECGB COC(=O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 59246524 HPYVMFBRECWSRK-LICLKQGHSA-N 335.360 0.021 50 40 ECGB COc1ccc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1F 12933970 AOWBBNMRFRTZEJ-LLVKDONJSA-N 330.381 0.940 50 40 ECGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)Cc1ccccc1 6584705 WLXHGYHJYNMVQT-WOJGMQOQSA-N 346.412 0.994 50 40 ECGB O=C1OC(=O)[C@H]2[C@H]3O[C@@H]([C@H](Br)[C@@H]3Br)[C@H]12 101151716 OCPGECKNMMXUPB-XCMZKKERSA-N 325.940 0.610 50 40 ECGB CN(C)N(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 25042799 JRDLTBPIGPUFQT-LBPRGKRZSA-N 327.362 0.701 50 40 ECGB O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1cccnc1 12802670 WCULMHVTNAJEBU-UHFFFAOYSA-N 333.373 0.450 50 40 ECGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)cc(Cl)c1O 6958740 ZGSFQMQTBGPQSA-CAOOACKPSA-N 343.767 0.657 50 40 ECGB COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1 58873328 ODBISQHIVKWTGL-GIJQJNRQSA-N 335.360 0.461 50 40 ECGB CCn1nc(C(=O)NNC(=O)CCSC)c2ccccc2c1=O 12984950 WZFAZCLBLMXCMV-UHFFFAOYSA-N 334.401 0.931 50 40 ECGB C=CCn1c(SC[C@H](O)CCl)nc2c1c(=O)[nH]c(=O)n2C 322466 ZBNFIXNOBUATLZ-SSDOTTSWSA-N 330.797 0.301 50 40 ECGB CN(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccccc1 6544982 CIUMHSYIWGCSHS-GZTJUZNOSA-N 332.385 0.852 50 40 ECGB C[C@@H]1C[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14185587 FCKQZMGYTVONOD-BXKDBHETSA-N 325.390 0.354 50 40 ECGB CO[C@@H]1O[C@H](CO)[C@@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@@H]21 301054487 UZIIQROSYBBMCZ-ICDRFISMSA-N 349.151 0.595 50 40 ECGB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(B(O)O)c1 584923251 FQUUWHMFBLGSQC-UHFFFAOYSA-N 338.216 0.761 50 40 ECGB CCCc1nnc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)s1 575421003 GDUOTNPBKAVCMA-RQJHMYQMSA-N 338.842 1.017 50 40 ECGB Cn1cc(S(=O)(=O)NNC(=O)c2ccc3ccccc3n2)cn1 55546235 KGPWKNOHMLNGPT-UHFFFAOYSA-N 331.357 0.592 50 40 ECGB O=C(CCn1c(=O)oc2ccccc21)NNC(=O)c1cccnc1 12942479 BSEIZALTEZSJHY-UHFFFAOYSA-N 326.312 0.841 50 40 ECGB Cc1c(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)oc2ccccc12 7955973 NTILFEZAMDSTEY-JTQLQIEISA-N 336.369 0.937 50 40 ECGB C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)C(=O)NCCO 4387211 FTJMGHCOGBVCBP-DEDYPNTBSA-N 348.403 0.541 50 40 ECGB Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 27610053 OCEQLGUBSNYECM-CQSZACIVSA-N 342.355 0.429 50 40 ECGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccccc1C(=O)O 4113017 UOKQCKBMDSQJMP-OMCISZLKSA-N 331.288 0.948 50 40 ECGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccccc1C(=O)O 101091771 QEZDAOFOVCKZHQ-CPNJWEJPSA-N 342.311 0.354 50 40 ECGB CCn1ncc(/C=N/NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1F 252492730 MUNMABZDHNHIKZ-MIJYTDESSA-N 345.400 0.164 50 40 ECGB COc1cc(C(=O)NNC(=O)c2cc(C)n[nH]2)cc(OC)c1OC 18106902 REAILILVQCVQSX-UHFFFAOYSA-N 334.332 0.819 50 40 ECGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(OC)c1 408802832 HZWFPCLQJSVMHT-MDWZMJQESA-N 347.371 0.619 50 40 ECGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1ccc(O)c(Cl)c1 2220640 UZSGJKCVTFZRHF-LZUJDIRXSA-N 325.752 0.791 50 40 ECGB COc1cccc(C(=O)NCC(=O)OCC(=O)/C(C#N)=C(/C)N)c1 104788046 WFGLXPWCQMJDGU-RAXLEYEMSA-N 331.328 0.294 50 40 ECGB COc1ccc(OC)c(/C=N/NC(=O)CCc2nnc(O)nc2O)c1 13543960 LYUSNWCAQLJHLQ-LZYBPNLTSA-N 347.331 0.383 50 40 ECGB Cc1n[nH]c(SCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)n1 84271534 IHPPLLCFEQTOQR-NSHDSACASA-N 349.372 0.193 50 40 ECGB Cc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)c(C)c1 157762290 BUKCKEMFQPEXQH-WDEREUQCSA-N 337.850 0.986 50 40 ECGB COc1ccc(N2C(=O)C[C@H](NNC(=O)c3ccncc3)C2=O)cc1 100099242 FETSGAYWOQIZJC-AWEZNQCLSA-N 340.339 0.657 50 40 ECGB CCNC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 6953788 BHUXEAYMDZCKDN-GIDUJCDVSA-N 344.165 0.750 50 40 ECGB COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccncc2)c1 35686132 QNWMXBGNQGAJNQ-UHFFFAOYSA-N 337.357 0.722 50 40 ECGB COCCC1(C(=O)NNC(=O)[C@@H]2C(=O)Nc3ccccc3C2=O)CC1 585087743 MNMFFBHMYDAIGH-LBPRGKRZSA-N 345.355 0.402 50 40 ECGB C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCCOC)cc1OC 4402134 HCGLRTGVFLDDGX-XDHOZWIPSA-N 349.387 0.863 50 40 ECGB C/C(=N/NC(=O)Cn1nnc(N)n1)c1ccc(Br)cc1 4897910 YTDMVGQOFUJDQY-AUWJEWJLSA-N 338.169 0.558 50 40 ECGB C[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)COc1ccc(F)cc1 25070531 UEUNHSKZVIYEQT-SNVBAGLBSA-N 349.318 0.763 50 40 ECGB CCCCC(=O)NN/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 2279235 VZCIOUDAQZHADZ-RAXLEYEMSA-N 344.371 0.960 50 40 ECGB NS(=O)(=O)c1ccc(CC(=O)NNC(=O)c2ccccc2O)cc1 69444398 RHBNKKBLTYHKHZ-UHFFFAOYSA-N 349.368 0.043 50 40 ECGB CCCn1c(SCC(=O)NNC(=O)c2cccs2)n[nH]c1=O 8772207 UELVZTWRNNICIL-UHFFFAOYSA-N 341.418 0.596 50 40 ECGB O=C(C[C@H]1NCCNC1=O)N/N=C/c1c(O)ccc2ccccc12 55116667 COOHWUROUZLTER-DGURAOSJSA-N 326.356 0.474 50 40 ECGB CCCOc1ccc(/C=N/NC(=O)Cn2nnc(N)n2)cc1OC 2319022 QNLLTYGMOZZLAB-LZYBPNLTSA-N 333.352 0.203 50 40 ECGB CCO/C(CC(=O)NN)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16681942 FPJGZHGSEUMWBL-RVDMUPIBSA-N 326.269 0.645 50 40 ECGB COc1cc(/C=N/NC(=O)c2nonc2N)cc(OC)c1OC(C)=O 16321786 LYDLVRLTCJAPGX-OMCISZLKSA-N 349.303 0.358 50 40 ECGB CC1(C)NC(=O)N(CC(=O)NNC(=O)c2ccc3c(c2)CCC3)C1=O 9314639 OUZJIFAHNGQJRY-UHFFFAOYSA-N 344.371 0.267 50 40 ECGB COCCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(O)c(OC)c1 8103359 RPHCFAIBBVPIBS-CAOOACKPSA-N 343.767 0.657 50 40 ECGB CS(=O)(=O)N(CC(=O)NN)Cc1ccc(Cl)c(Cl)c1 408613432 UFDGPNXEZLHGNK-UHFFFAOYSA-N 326.205 0.745 50 40 ECGB CC(C)(C)NC(=O)C(=O)NNC(=O)COc1ccc(Cl)cc1 3246977 XWFHQKIBXBXCMC-UHFFFAOYSA-N 327.768 0.781 50 40 ECGB O=C(NNC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1 5672782 CHJQWCCGTQNFBD-UHFFFAOYSA-N 345.340 0.939 50 40 ECGB O=C(NNC(=S)NC[C@H]1CCCO1)[C@H]1COc2ccccc2O1 7989693 ADDLSAWLVPECCS-ZWNOBZJWSA-N 337.401 0.501 50 40 ECGB COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccncc2)C(C#N)=C(N)O1 499718 SDEHYWLRQJNLKR-ZDUSSCGKSA-N 329.312 0.879 50 40 ECGB CC(C)(SSC(C)(C)[C@@H]1NC(=O)NC1=O)[C@@H]1NC(=O)NC1=O 1581670 ATAHDNOLIIJRRR-PHDIDXHHSA-N 346.434 0.341 50 40 ECGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 1893606 QWGFBHZEQKIBJI-SECBINFHSA-N 327.256 0.602 50 40 ECGB Cc1csc(=O)n1CC(=O)NNS(=O)(=O)c1ccccc1 12787759 WLQGESXYNANVOV-UHFFFAOYSA-N 327.387 0.228 50 40 ECGB CO[C@@H]1O[C@H](CO)[C@@H]2N[P@](=O)(N(CCCl)CCCl)O[C@H]21 301054489 UZIIQROSYBBMCZ-WEHOBVSHSA-N 349.151 0.595 50 40 ECGB O=C(Cn1cnc2ccccc2c1=O)NNC(=O)c1ccccc1F 6998452 INZZXQWQTGQBSS-UHFFFAOYSA-N 340.314 0.997 50 40 ECGB O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc([N+](=O)[O-])cc1 293190059 ZAFILOHNDKXKDO-YRRQLQLVSA-N 345.311 0.879 50 40 ECGB O=C1NN=C[C@H]1C(=O)N/N=C/c1cc(Br)ccc1O 100948879 NSHQLBAJINSILR-MJOFAJMNSA-N 325.122 0.337 50 40 ECGB O=C1NN=C[C@@H]1C(=O)N/N=C/c1cc(Br)ccc1O 100948882 NSHQLBAJINSILR-XUXULYAMSA-N 325.122 0.337 50 40 ECGB O=S1(=O)C[C@@H](Cl)[C@H](NS(=O)(=O)c2ccc(F)cc2)C1 4580750 ZETDGWIGXBKOLX-NXEZZACHSA-N 327.786 0.508 50 40 ECGB COc1ccc(N(C(=O)CCl)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1 40177681 MUZONDKMAGCCLO-VXGBXAGGSA-N 333.793 0.425 50 40 ECGB COc1cc(/C=N/NC(=O)Nc2nonc2N)cc(OC)c1OC 16195190 WKEMKLZQLDZZGV-GIDUJCDVSA-N 336.308 0.833 50 40 ECGB CC(=O)OC[C@@]1(OC(=O)CC(C)C)CO[C@H](O)[C@H]2C(C=O)=CC=C21 1585611 WBCKSAACKDSJQC-YESZJQIVSA-N 338.356 0.908 50 40 ECGB N#CC(C#N)=C1N[C@]2(O)Nc3ccccc3[C@]2(C(C#N)C#N)[C@@H]1C#N 66088026 LHIGUMOGWZKWDT-KBRIMQKVSA-N 327.307 0.704 50 40 ECGB CCc1nnc(NC(=S)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575420537 BUPJSPYIZSMEPD-NTSWFWBYSA-N 340.883 0.791 50 40 ECGB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc2c(c1)OCO2 25259737 GNDJBVOYBDKXEF-PELKAZGASA-N 336.348 0.259 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 104406118 IMICMOYLDCSGPB-QUVIIPFCSA-N 345.355 0.196 50 40 ECGB COc1ccc(C(=O)NNC(=O)CSc2nnc(C)n2C)cc1 420754 YLTHTTDLKLECTK-UHFFFAOYSA-N 335.389 0.685 50 40 ECGB O=C(COCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccccn1 9190714 SFCVLANJSDOCEM-UHFFFAOYSA-N 346.318 0.637 50 40 ECGB O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)Nc2ncnc3[nH]cnc23)C1 575421669 KUPZXWXAYKFZGS-RITPCOANSA-N 346.825 0.044 50 40 ECGB COCc1nnn(-c2nonc2N)c1C(=O)N/N=C/[C@@H]1CC=CCC1 37150 ALYQDCSTHRGJPV-UHDDOIDHSA-N 346.351 0.451 50 40 ECGB COc1cc(/C=N/NC(=O)c2ccn(C)n2)ccc1OCC(N)=O 132171 VOZLATAFRCZKMC-CAOOACKPSA-N 331.332 0.057 50 40 ECGB COC(=O)/C=C1/SC(NNC(=O)c2ccc(OC)cc2)=NC1=O 100747700 FQKQXNUMEVNFJF-JXMROGBWSA-N 335.341 0.616 50 40 ECGB O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)N1CCOCC1 5500147 ZWWUOBHNIOLLFF-QKAQJGQXSA-N 330.178 0.416 50 40 ECGB O=C(Cc1ccn(-c2ccccc2)n1)NNS(=O)(=O)c1cn[nH]c1 79094912 BBWGEHXPIOFQHN-UHFFFAOYSA-N 346.372 0.148 50 40 ECGB O=C(COCC(=O)Nc1ccccc1)NNC(=O)c1cccnc1 4696026 FSAZUQNZFMTSSD-UHFFFAOYSA-N 328.328 0.498 50 40 ECGB C=CCNC(=S)NNC(=O)c1csc(N2CCOCC2)n1 16312953 URWFCMGZUBMLGB-UHFFFAOYSA-N 327.435 0.275 50 40 ECGB CSCC[C@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)NN 2420767 LJHIXCCHIPKROQ-VIFPVBQESA-N 326.378 0.648 50 40 ECGB O=C(NNC(=O)N1CCN(c2ccccn2)CC1)c1cccnc1 14197155 AXBUXOHXZZXQRY-UHFFFAOYSA-N 326.360 0.653 50 40 ECGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1cccc(N)c1 15161985 SPXSUQDGDOKRDQ-REZTVBANSA-N 341.335 0.277 50 40 ECGB O=C(COC(=O)[C@@H]1CCCO1)NNC(=O)c1ccc([N+](=O)[O-])cc1 7736161 FKXFFARUCRZODY-NSHDSACASA-N 337.288 0.078 50 40 ECGB CNC(=S)NNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6786906 FNJDZKCKQGYAOR-UHFFFAOYSA-N 339.377 0.170 50 40 ECGB O=C(NN/C=C1/C(=O)N(C2CC2)C(=S)N=C1O)c1ccncc1 17014716 VGQZGHXTBSNOJK-JXMROGBWSA-N 331.357 0.446 50 40 ECGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NN=C(C)C)cc1 16138666 HPXNBORCCRUXNS-UHFFFAOYSA-N 340.405 0.778 50 40 ECGB CCOC(=O)NN[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O 100117084 YOQQBHIKLWBYED-SNVBAGLBSA-N 335.316 0.340 50 40 ECGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)CN1CCOCC1 408994866 HJRHNJVEGREEPG-YBEGLDIGSA-N 335.364 0.443 50 40 ECGB CC(=O)N[C@@H](C(=O)NNC(=O)CN1CCCc2ccccc21)C(C)C 6253366 AFBRXMYWMFQAKZ-QGZVFWFLSA-N 346.431 0.747 50 40 ECGB COCCO[C@@H](C)C(=O)NNC(=O)Nc1cnc(C(C)(C)C)nc1 95467078 HVKZLGMTNBJODD-JTQLQIEISA-N 339.396 0.978 50 40 ECGB Cn1c(=O)c2c(nc3n2CCN3CCCBr)n(C)c1=O 2570373 YJRJSCZVZDGKCY-UHFFFAOYSA-N 342.197 0.039 50 40 ECGB O=C(C[C@@H]1SC(=O)NC1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 28294881 YOMISURUJVMALI-QMMMGPOBSA-N 338.301 0.098 50 40 ECGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H](N2C(=O)CCC2=O)[C@H]1Br 104073687 MBWCUAKFJQZPGF-XCKGBIRESA-N 342.145 0.233 50 40 ECGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(C)c(C)c1 4691360 JXEIRMATJMRDBF-DEDYPNTBSA-N 348.403 0.887 50 40 ECGB Cc1cccc(OCC(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)c1 4749925 VQWIMFASSRZOKC-GFCCVEGCSA-N 340.401 0.346 50 40 ECGB Cc1c(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)oc2ccccc12 7955970 NTILFEZAMDSTEY-SNVBAGLBSA-N 336.369 0.937 50 40 ECGB CCc1nnc(NC(=S)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)s1 575420544 BUPJSPYIZSMEPD-WDSKDSINSA-N 340.883 0.791 50 40 ECGB CCOC(=O)C1=C[C@](C)(C(=O)OCC)C(C#N)(C#N)C(N)=C1C#N 8746517 LZFOTFMRZAPMFY-OAHLLOKOSA-N 328.328 0.829 50 40 ECGB CCn1ncc(/C=N/NC(=O)CCn2ncc([N+](=O)[O-])c2C)c1F 252489697 JXCFSIBIKWYNIV-GIDUJCDVSA-N 337.315 0.996 50 40 ECGB O=S1(=O)C[C@H](Cl)[C@H](S[C@@H]2CCS(=O)(=O)[C@H]2Cl)C1 5003846 CSDZSCBNXGPRFN-LXGUWJNJSA-N 339.287 0.876 50 40 ECGB O=C(NCc1ccncc1)C(=O)N/N=C/c1ccccc1C(=O)O 59444335 RIOPZBDKYXVMBC-VXLYETTFSA-N 326.312 0.546 50 40 ECGB COCCCNC(=S)NNC(=O)c1ccc(OC)c(OC)c1 16184834 LXMNDHHVXINHKB-UHFFFAOYSA-N 327.406 0.849 50 40 ECGB C=CCN1C(=O)/C(=C/NNC(=O)c2ccccc2O)C(O)=NC1=S 2228669 BQDUGPUGGAQHFQ-CSKARUKUSA-N 346.368 0.780 50 40 ECGB COCCNC(=O)C(=O)N/N=C/c1cccc(Br)c1 3059928 AUPBUNQDGBYVPS-OVCLIPMQSA-N 328.166 0.662 50 40 ECGB COc1cccc(N(C(=O)CCl)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1 40177668 SLHOGXXRCOKLNB-NEPJUHHUSA-N 333.793 0.425 50 40 ECGB Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(C#N)cc2)n1 7386846 OHHOVWFZOTXQRQ-UHFFFAOYSA-N 333.373 0.381 50 40 ECGB O=C(COCC(=O)N/N=C/c1cccnc1)N/N=C/c1cccnc1 3142455 MNPFWGGYGVPUSU-LQGKIZFRSA-N 340.343 0.094 50 40 ECGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCC(N)=O 408814873 WJNMIIAAUNCKST-MDWZMJQESA-N 347.371 0.619 50 40 ECGB O=C(N/N=C\c1ccc(O)cc1)C(=O)N/N=C\c1ccc(O)cc1 73111094 SVRIGJRNCBDGDB-XFQWXJFMSA-N 326.312 0.698 50 40 ECGB COc1cccc(N(C(=O)CCl)[C@@H]2CS(=O)(=O)C[C@H]2O)c1 40177670 SLHOGXXRCOKLNB-VXGBXAGGSA-N 333.793 0.425 50 40 ECGB Cc1occc1C(=O)NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 27070904 KKUGYKSJKAHWGL-UHFFFAOYSA-N 348.359 0.604 50 40 ECGB COC(=O)C[C@@H](C#N)C(/C=C(/C#N)C(=O)OC)=C\[C-](C#N)C(=O)OC 100023769 ULVFGGDOVCQDSI-LTHKKIOTSA-N 344.303 0.510 50 40 ECGB C=CCN1C(=O)/C(=C\NNC(=O)c2ccccc2O)C(O)=NC1=S 34237543 BQDUGPUGGAQHFQ-NTMALXAHSA-N 346.368 0.780 50 40 ECGB CCc1nnc(SCC(=O)NNC(=O)COc2ccccc2)o1 7604909 HHWYLJZDRLRNRP-UHFFFAOYSA-N 336.373 0.951 50 40 ECGB CS(C)(=O)=NC(=O)[C@@H]1CCCN1S(=O)(=O)CBr 585114733 VWMLBBCAJHSOMU-ZETCQYMHSA-N 347.256 0.387 50 40 ECGB COC(=O)c1ccc(/C=N\NC(=O)CC[C@@H]2C(=O)NN=C2C)cc1 100280565 YBFFGYLLQJSVFA-OLWAXZHHSA-N 330.344 0.825 50 40 ECGB C[C@@H](Sc1n[nH]c(N)n1)C(=O)NNC(=O)c1cccc(Cl)c1 8923606 XOYHMCPUQYQKJE-ZCFIWIBFSA-N 340.796 0.982 50 40 ECGB Nc1nonc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1 5605139 MDYVGVAMNKAGIL-UHFFFAOYSA-N 333.329 0.428 50 40 ECGB O=C(COC(=O)c1cc[n+]([O-])cc1)NNC(=O)c1ccc(Cl)cc1 7159336 JKHKPEQLTMKBCY-UHFFFAOYSA-N 349.730 0.591 50 40 ECGB O=C(/C=C1\SC(=O)NC1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 32594694 SWWTZAJZZYEQAU-YVMONPNESA-N 336.285 0.223 50 40 ECGB Cc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)c(C)c1 157762433 BUKCKEMFQPEXQH-QWRGUYRKSA-N 337.850 0.986 50 40 ECGB Cc1nnc(NNC(=O)c2cccnc2OCC(F)(F)F)nc1O 47432081 BZTHQLQUVXUDPS-UHFFFAOYSA-N 344.253 0.979 50 40 ECGB COc1cc(/C=N/NC(=O)CCc2nnc(O)nc2O)ccc1O 8830041 HXKLAKKDUJHGNJ-VIZOYTHASA-N 333.304 0.080 50 40 ECGB Nc1ccccc1C(=O)NN[C@H]1CC(=O)N(Cc2ccccc2)C1=O 2890241 ZBSUJYNKKCGZPC-HNNXBMFYSA-N 338.367 0.831 50 40 ECGB CN(C)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)cn1 28843777 DVPZCALUCYRLPD-UHFFFAOYSA-N 328.328 0.951 50 40 ECGB CCc1sc(C(=O)NNC(=O)CSc2nnnn2C)cc1C 65610027 QVWKLLMMUJWNFK-UHFFFAOYSA-N 340.434 0.696 50 40 ECGB CN1CC[N+]2(CC1)C[C@](C)(O)C[C@@H]2CI 160472 RMUYGKURLCGPPK-GHMZBOCLSA-N 325.214 0.707 50 40 ECGB CCNC(=S)NNC(=O)CSc1nnc(-c2ccncc2)o1 13944062 QCUYXPASYIDNCI-UHFFFAOYSA-N 338.418 0.739 50 40 ECGB NNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3885862 TUHLFULYTLALMK-UHFFFAOYSA-N 336.329 0.999 50 40 ECGB O=C(Nc1cccc(C(=O)NNC(=O)[C@@H]2CCCO2)c1)NC1CC1 56569827 ITVSYUGYPKOJBO-ZDUSSCGKSA-N 332.360 0.911 50 40 ECGB O=C(CCl)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12504879 XSKGGYDKZGLYLO-UHFFFAOYSA-N 332.809 0.563 50 40 ECGB COc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1 5513748 PQGCKODDJMSFHA-UHFFFAOYSA-N 335.385 0.880 50 40 ECGB CCOC(=O)/C(C#N)=C(\c1ccc(OC)cc1)N(CCO)CCO 17377668 ZRZOKWRRJSXEOP-FOCLMDBBSA-N 334.372 0.780 50 40 ECGB O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2cccc(O)c2)cc1 12600075 AIOKVBOSDKMMMS-UHFFFAOYSA-N 336.325 0.714 50 40 ECGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccncc2)c2ccccc21 5982205 YPXXHQIZALXUQC-QNGOZBTKSA-N 337.339 0.308 50 40 ECGB O=C(Cn1cnc2ccccc2c1=O)N/N=C1\C(=O)Nc2ccccc21 5731656 PJGQEVUIKAZGQI-UHFFFAOYSA-N 347.334 0.869 50 40 ECGB C/C(=N\NC(=O)C(=O)NC(C)C)c1ccc(N2CCOCC2)cc1 7918425 DXYDDQZDRILKDJ-CPNJWEJPSA-N 332.404 0.888 50 40 ECGB O=C(CC[C@@H]1CCCO1)NNC(=O)c1ccc(-n2cnnn2)cc1 44913250 RWDUACWLDDRRMY-ZDUSSCGKSA-N 330.348 0.383 50 40 ECGB Cc1cc(C(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 12289535 IQKMLMIZRSKOLC-UHFFFAOYSA-N 348.344 0.576 50 40 ECGB O=C(Cc1c(F)cccc1Cl)NNC(=O)[C@@H]1CCS(=O)(=O)C1 7955343 NNQFUFPKRPJJLQ-MRVPVSSYSA-N 348.783 0.604 50 40 ECGB COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NN)CC1 408562229 YIPCXOKEVRYSQP-UHFFFAOYSA-N 347.824 0.739 50 40 ECGB COc1ccc(-c2ncc(C(=O)NN)c(N3CCOCC3)n2)cc1 223461897 MUTMCZVTVMHZKQ-UHFFFAOYSA-N 329.360 0.592 50 40 ECGB N#CC(C#N)=C1N[C@]2(O)Nc3ccccc3[C@@]2(C(C#N)C#N)[C@@H]1C#N 66088028 LHIGUMOGWZKWDT-XOKHGSTOSA-N 327.307 0.704 50 40 ECGB Cn1c(CC(=O)NNC(=O)c2ccc(=O)[nH]c2)nc2ccccc21 12525421 RSPWRGVHXNLTJM-UHFFFAOYSA-N 325.328 0.265 50 40 ECGB Cc1n[nH]c(SCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)n1 84271539 IHPPLLCFEQTOQR-LLVKDONJSA-N 349.372 0.193 50 40 ECGB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 9305242 HEZKANAEKSLIES-XHNCKOQMSA-N 340.829 0.420 50 40 ECGB CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1O 59515819 LVYRYVNMLGNUMM-KBSHCFNASA-N 335.360 0.536 50 40 ECGB CCC(NNC(=O)c1ccccc1O)=C1C(=O)N(C)C(=O)N(C)C1=O 4602941 YHAGTNNOAMSSLZ-UHFFFAOYSA-N 346.343 0.341 50 40 ECGB N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCl)CC1 7986309 HKTJYSFJMYFISF-UHFFFAOYSA-N 327.793 0.630 50 40 ECGB O=C(CCl)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 32626745 WQPKUXPYTMDDQO-UHFFFAOYSA-N 347.780 0.667 50 40 ECGB in-vitro COc1ccc(OC)c(/C=N/NC(=O)C(=O)NCc2ccccn2)c1 59515478 MQFUDEFUXMAZAI-KEBDBYFISA-N 342.355 0.865 50 40 ECGB CCCCS[C@@H](C)C(=O)NNC(=O)CNC(=O)c1cccnc1 84746816 OAOOUNDZDCZMPD-NSHDSACASA-N 338.433 0.881 50 40 ECGB CCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2O)s1 408731903 QPVUIBBBLQVPPG-VIZOYTHASA-N 349.372 0.991 50 40 ECGB Cc1ccc(S(=O)(=O)NNC(=O)c2cccnc2)cc1C(=O)O 13348854 ORRGZWZLCLMCFB-UHFFFAOYSA-N 335.341 0.712 50 40 ECGB CC1(C)NC(=O)N(CC(=O)NNC(=O)c2cccc(Cl)c2)C1=O 32988025 RTSBZWVUHODRFJ-UHFFFAOYSA-N 338.751 0.431 50 40 ECGB O=C(CNC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccncc1 3374811 DBAZLTBVUCZXNY-UHFFFAOYSA-N 332.747 0.926 50 40 ECGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)NC[C@@H]1CCCO1 15013054 GJGAHLRCIHIVRM-ODDCISTRSA-N 329.356 0.753 50 40 ECGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(=O)n(C)n1 9112994 AXDJYHIKHCJPHD-UHFFFAOYSA-N 336.735 0.517 50 40 ECGB COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1OC 3085296 IHOOXHYLXKPDSH-BEAUZRKQSA-N 335.360 0.449 50 40 ECGB NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccco2)ccc1Cl 9217362 QUSZTQLDGDRPBC-UHFFFAOYSA-N 343.748 0.655 50 40 ECGB CC(C)CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CBr 35605082 UNFKLQWGVMFZPJ-JTQLQIEISA-N 349.225 0.688 50 40 ECGB CCOc1oc(C(=O)NNC(=O)c2cc(OC)ns2)nc1C 585130552 UFDYONBKSSLRPL-UHFFFAOYSA-N 326.334 0.922 50 40 ECGB O=C1COc2cc(C(=O)NNC(=O)c3ccccc3O)ccc2N1 13006186 NIKBWAKETPCKQB-UHFFFAOYSA-N 327.296 0.798 50 40 ECGB O=C(Cn1ccccc1=O)NNS(=O)(=O)c1ccc(Cl)s1 7727946 PVNUDGYITFMZKZ-UHFFFAOYSA-N 347.805 0.573 50 40 ECGB O=C(Cn1nnc(N2CCOCC2)n1)N/N=C/c1ccccc1Cl 88920 BHBDPDGAPAWHCG-CXUHLZMHSA-N 349.782 0.313 50 40 ECGB CN(C)C(=O)/C(C#N)=C\[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O 408848365 YFJDAYPSAOCWPZ-VPUINMBXSA-N 342.380 0.589 50 40 ECGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1ccccc1 20207316 VJACXZHBGYSQNE-GZTJUZNOSA-N 332.385 0.998 50 40 ECGB O=C(CN1CCCCC1=O)NNC(=O)c1cc(Br)c[nH]1 44934149 HOYVJEGVJFYZHQ-UHFFFAOYSA-N 343.181 0.551 50 40 ECGB O=C(CSc1n[nH]c(=O)[nH]c1=O)N/N=C/c1c[nH]c2ccccc12 1748547 DFDZOCAHCWFKFM-OMCISZLKSA-N 344.356 0.182 50 40 ECGB C[C@H]1C[C@@H](C)C[C@@H]([C@H](O)C[C@@H]2CCC(=O)NC2=O)/C1=N\NC(N)=O 102801802 GDXCTNPDYIIQKV-KVNQFMSJSA-N 338.408 0.497 50 40 ECGB Nc1nonc1C(=O)N/N=C1/c2ccccc2-c2nc3nonc3nc21 101537453 KLSWJENGNAPRTN-LSCVHKIXSA-N 349.270 0.141 50 40 ECGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1ccco1 6784469 XJPJRFBZMWLOHP-UHFFFAOYSA-N 331.284 0.199 50 40 ECGB C[C@@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 14185585 FCKQZMGYTVONOD-SKDRFNHKSA-N 325.390 0.354 50 40 ECGB O=C(N/N=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1cnccn1 67194095 CXMJWPFHBLZPDB-WCSRMQSCSA-N 332.232 0.763 50 40 ECGB CCc1sc(C(=O)NNC(=O)CN2CCC[C@H](O)C2)cc1C 48289998 RTRAUMATAKAOCF-NSHDSACASA-N 325.434 0.837 50 40 ECGB O=S1(=O)C[C@H](Cl)[C@H](NS(=O)(=O)c2ccc(F)cc2)C1 1074111 ZETDGWIGXBKOLX-VHSXEESVSA-N 327.786 0.508 50 40 ECGB CCOc1cc(/C=N/NC(=O)CCc2nnc(O)nc2O)ccc1O 13543962 SYZCXZMJNCGBHL-LZYBPNLTSA-N 347.331 0.470 50 40 ECGB C/C(N)=C(\C#N)C(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12 104472361 CQVAQKXNJRICPI-XFXZXTDPSA-N 326.312 0.334 50 40 ECGB CCOC(=O)/C=C/C(=O)NNC(=O)CCC(=O)Nc1ccccc1 5952685 IHLOSZHPAFIZSW-ZHACJKMWSA-N 333.344 0.672 50 40 ECGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC#N 59246452 FJVODTDYRLSWKY-WQRHYEAKSA-N 332.360 0.380 50 40 ECGB COc1ccc(OCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 8919118 OBSJZPCOYKHHSI-GFCCVEGCSA-N 342.417 0.566 50 40 ECGB NNC(=O)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 409190078 VVRQZFMUVAANLI-UHFFFAOYSA-N 335.385 0.534 50 40 ECGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccncc2)s1 408730554 HWYRRPHQEDPIGO-OVCLIPMQSA-N 334.361 1.194 50 40 ECGB CO/N=C\C(C#N)=C\C=C/Nc1ccc(S(=O)(=O)N=C(N)N)cc1 17123771 DHEQCZLYCDBKMP-WJWGCNQOSA-N 348.388 0.656 50 40 ECGB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NN)C2)cc1 408559720 XWGPBQAKJHLJBX-LLVKDONJSA-N 327.406 0.476 50 40 ECGB CC(C)(C)OC(=O)N1CCC(F)(C(=O)NNC(=O)C(C)(C)O)CC1 1556228226 GVYOMVZRWONNJM-UHFFFAOYSA-N 347.387 0.644 50 40 ECGB Cc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)o1 12800505 RJPHKNRWEANQMN-UHFFFAOYSA-N 336.373 0.956 50 40 ECGB COc1ccc(Cl)cc1NC(=O)NNC(=O)C(=O)NC1CC1 1574633 LMEDEVIPJGNGCG-UHFFFAOYSA-N 326.740 0.780 50 40 ECGB CCOC(=O)[C@H]1SC(=C(C#N)C(N)=O)S[C@@H]1C(=O)OCC 18194659 FWICPVXIYLNNIG-YUMQZZPRSA-N 330.387 0.550 50 40 ECGB Cc1occc1C(=O)NNC(=O)CNC(=O)COc1ccccc1 8351136 DZSSJMVUQINCPX-UHFFFAOYSA-N 331.328 0.544 50 40 ECGB O=C(C[C@H]1CCS(=O)(=O)C1)N/N=C\c1cccc([N+](=O)[O-])c1 31776233 LWOYSUJWMCVENS-ZEVOCZHWSA-N 325.346 0.870 50 40 ECGB O=C(NNC(=S)NC[C@H]1CCCO1)[C@@H]1COc2ccccc2O1 7989694 ADDLSAWLVPECCS-MFKMUULPSA-N 337.401 0.501 50 40 ECGB COC(=O)c1cccc(/C=N/NC(=O)C(=O)NCc2ccccn2)c1 59433912 LDNFOBRXBANVLY-KEBDBYFISA-N 340.339 0.635 50 40 ECGB CNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C 13468967 WQYFEMCIGDLYPI-UHFFFAOYSA-N 334.243 0.778 50 40 ECGB CN1CCC(=NNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CC1 409122033 YHBLAZZSUHBYDO-UHFFFAOYSA-N 338.433 0.894 50 40 ECGB O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cccc(O)c1 5774759 GNYJXXXQOFTUQJ-MHWRWJLKSA-N 333.369 0.821 50 40 ECGB Cc1c(NC(=O)N(CCCl)CCCl)c(=O)n(C)c(=O)n1C 1692299 UBTFJSPZLBHHLY-UHFFFAOYSA-N 337.207 0.704 50 40 ECGB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NN)C1 9974717 WVRNNDCUTGNTNB-NSHDSACASA-N 327.406 0.394 50 40 ECGB CC(=O)N1CCc2cc(S(=O)(=O)NNC(=O)C(C)C)ccc21 9389153 CURDZOLHVPVRKK-UHFFFAOYSA-N 325.390 0.561 50 40 ECGB O=S1(=O)C[C@H](Cl)[C@H](S[C@@H]2CCS(=O)(=O)[C@@H]2Cl)C1 5003845 CSDZSCBNXGPRFN-OSMVPFSASA-N 339.287 0.876 50 40 ECGB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)NN)C2)c1 33743649 UTGFQMBWZBXITN-SNVBAGLBSA-N 343.405 0.094 50 40 ECGB C=CCNC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 14569523 GQQHFGRGGLQXIY-CYBMUJFWSA-N 332.429 0.716 50 40 ECGB Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)/C=C/C(=O)O)c1 4524004 CEBVZLAYSCXGJX-BQYQJAHWSA-N 333.344 0.810 50 40 ECGB NC(=O)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408742113 PJPAVDRPDFBLIE-SDUWKLLGSA-N 339.764 0.358 50 40 ECGB C#CCNC(=O)CNC(=O)C(=O)NNc1ccc(Cl)cc1Cl 50662608 QDRRYOCTGNXJFX-UHFFFAOYSA-N 343.170 0.302 50 40 ECGB Nc1nnnn1CC(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1 5770088 SVJWBDYOQIMJGO-REZTVBANSA-N 329.295 0.805 50 40 ECGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1ccc2c(c1)OCO2 33780256 MZVVIDXFZXPVQT-FZSIALSZSA-N 331.288 0.979 50 40 ECGB COc1cccc(/C=N/NC(=O)CC(=O)NCc2cccnc2)c1O 59461585 AFTKPNQLNDUDKJ-RGVLZGJSSA-N 342.355 0.952 50 40 ECGB COc1cc(/C=N/NC(=O)CN2CCOCC2)cc([N+](=O)[O-])c1O 408730624 SJHGNMLABDSZMC-OVCLIPMQSA-N 338.320 0.091 50 40 ECGB COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)cc1 53722 FETSGAYWOQIZJC-CQSZACIVSA-N 340.339 0.657 50 40 ECGB COCCNC(=O)/C(C#N)=C1\C(=O)Nc2cc3c(cc21)OCCO3 61719796 SUMDJCHDWWNXQN-UVTDQMKNSA-N 329.312 0.450 50 40 ECGB O=C(N[C@H]1CCN2C(=O)N(CCCl)C(=O)[C@@H]2C1)c1ccncc1 3840363 DPPQZDOGVDLNLL-RYUDHWBXSA-N 336.779 0.845 50 40 ECGB biogenic,in-vitro CN(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccccc1 6544901 WZHKJBOLGYCANX-GZTJUZNOSA-N 332.385 0.852 50 40 ECGB C[C@@H](O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58882300 NIWXDCFIKVXJEH-OTZDHQQFSA-N 349.387 0.192 50 40 ECGB O=C(CN1C(=O)CSC1=S)NNC(=O)c1ccccc1O 12583065 HINYPHSUBHJZEG-UHFFFAOYSA-N 325.371 0.014 50 40 ECGB O=C(CNC(=O)c1ccco1)NNC(=O)c1ccc2c(c1)OCO2 6603037 XEXALAKCLSLNGU-UHFFFAOYSA-N 331.284 0.199 50 40 ECGB CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccccc1[N+](=O)[O-] 96193583 DNMNKEUROJLRFJ-AQTBWJFISA-N 343.299 0.564 50 40 ECGB O=C(NNC(=O)[C@H]1CCS1(=O)=O)c1ccc(Br)cc1 1615585933 IJFNSUIEDNYCRO-SECBINFHSA-N 347.190 0.397 50 40 ECGB CC(C)[C@@H](NC(N)=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1 27197720 KIHRDPMAXWVCLL-JOYOIKCWSA-N 340.355 0.433 50 40 ECGB CC(=O)N1C(=O)[C@]2(C(=O)N(C(C)=O)C(N)=C2C#N)[C@@]2(C)CCCC=C12 96336620 OWNMIOKIFHIOJB-DLBZAZTESA-N 342.355 0.518 50 40 ECGB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NNC(=O)c1ccccn1 58006000 UZYPUMJAFFLTIG-UHFFFAOYSA-N 348.384 0.421 50 40 ECGB NC(=O)NNC(=O)COCC(=O)Nc1cccc(Br)c1 4689273 IEHXTWFEFMBKLY-UHFFFAOYSA-N 345.153 0.104 50 40 ECGB COc1ccc(/C=N/NC(=O)CCc2nnc(O)nc2O)cc1OC 8683236 HQPZZRPNKCSSTP-LZYBPNLTSA-N 347.331 0.383 50 40 ECGB CCc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NCCOC)cc1 4697827 IVSCNYWIHBTYCJ-UDWIEESQSA-N 348.403 0.832 50 40 ECGB CCCCCOC(=O)C[C@H]1C(=O)NCCN1C(=O)CBr 35605070 TVHUDMZCPUKKNR-JTQLQIEISA-N 349.225 0.832 50 40 ECGB CCc1sc(C(=O)NNC(=O)CN2CCC[C@@H](O)C2)cc1C 48290000 RTRAUMATAKAOCF-LLVKDONJSA-N 325.434 0.837 50 40 ECGB O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[C@@H](B(O)O)C1 585077112 QBTFYQDDQJIYBO-SNVBAGLBSA-N 330.109 0.469 50 40 ECGB CCn1ncc(/C=N/NC(=O)C(=O)Nc2ccc(OC)nc2)c1F 252492702 MSZMAYOKFZHZCD-UBKPWBPPSA-N 334.311 0.535 50 40 ECGB O=C(C[C@H]1SC(=O)NC1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 28294883 YOMISURUJVMALI-MRVPVSSYSA-N 338.301 0.098 50 40 ECGB CCOc1ccc(N2C(=O)C[C@@H](NNC(=O)CCCO)C2=O)cc1 2728538 UDBOWAADCIUNPI-CYBMUJFWSA-N 335.360 0.111 50 40 ECGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(F)cc1 243693 PQCQCIOHENWACB-REZTVBANSA-N 344.310 0.834 50 40 ECGB COCC(=O)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 23109244 YWEIQFHRQJVPOP-UHFFFAOYSA-N 333.319 0.443 50 40 ECGB O=C(NNC(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccncc1 1357748 LHXQXUNRXLXRKK-ZDUSSCGKSA-N 326.360 0.549 50 40 ECGB CC(=O)O[C@H]1CO[C@@H](Br)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2545145 AVNRQUICFRHQDY-ZRUFSTJUSA-N 339.138 0.533 50 40 ECGB in-vitro CC(=O)c1cccc(N/N=C2\C(=O)N(CCO)C(=O)C(C#N)=C2C)c1 13777691 GCQXBBHNGUIQMG-HKWRFOASSA-N 340.339 0.858 50 40 ECGB CCCc1nnc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)s1 575421001 GDUOTNPBKAVCMA-RNFRBKRXSA-N 338.842 1.017 50 40 ECGB COc1cc(/C=N/NC(=O)C(N)=O)ccc1OC(=O)c1cccnc1 3526909 NXVRKTOWQVEFDC-UFWORHAWSA-N 342.311 0.245 50 40 ECGB N#Cc1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)c1 157771994 MVIKLOZEHDBTBU-MNOVXSKESA-N 334.806 0.241 50 40 ECGB CC(C)COC(=O)C[C@H]1C(=O)NCCN1C(=O)CBr 35605061 KVTJOCBYFRTXII-VIFPVBQESA-N 335.198 0.298 50 40 ECGB Nc1nonc1C(=O)N/N=C\c1cc(Br)ccc1O 21964824 MOZUMHBKAZLBHQ-PQMHYQBVSA-N 326.110 0.884 50 40 ECGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(N)(=O)=O)cc1 100929822 AXANCFFRKBVEPM-GHXNOFRVSA-N 332.341 0.126 50 40 ECGB CCN(CC(=O)NN)S(=O)(=O)c1ccc(Br)cc1 39985170 MZBVXCVBLIVLSI-UHFFFAOYSA-N 336.211 0.450 50 40 ECGB CCCCN1C(=O)/C(=C(\C)NNC(=O)c2ccncc2)C(=O)N=C1O 16995976 CIYQJCLILLRRCU-ZRDIBKRKSA-N 345.359 0.673 50 40 ECGB CC(C)(Oc1ccc(F)cc1)C(=O)NNS(=O)(=O)c1cn[nH]c1 72311776 NOZPQXHLQQNUJP-UHFFFAOYSA-N 342.352 0.716 50 40 ECGB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)N2 409092633 VUTZUIPTOKBMAE-NSHDSACASA-N 343.774 0.989 50 40 ECGB C=CCN1C(=O)[C@H](CC(=O)O)S/C1=N/NC(=O)c1ccccc1O 5377363 BQAJRURBYSBVTG-NRYCMEERSA-N 349.368 0.998 50 40 ECGB N#CC1=C(N)Oc2nc(O)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])s1 3169354 GFFVEXLWZBLVSZ-SSDOTTSWSA-N 333.285 0.663 50 40 ECGB CN(C)c1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1 59515622 LQKUTMCMFNQOSO-UDWIEESQSA-N 325.372 0.914 50 40 ECGB CC(=O)O[C@H]1CO[C@@H](Br)[C@H](OC(C)=O)[C@H]1OC(C)=O 2556500 AVNRQUICFRHQDY-UKKRHICBSA-N 339.138 0.533 50 40 ECGB in-vitro C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)NNC(=O)c1ccccc1O 409381048 DGHQRFATBDYTHG-QHSOUUPTSA-N 332.312 0.198 50 40 ECGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)C(=O)NC[C@H]1CCCO1 15013056 GJGAHLRCIHIVRM-JEMSNHSXSA-N 329.356 0.753 50 40 ECGB Cc1occc1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 3424989 BTERIAZUMJUYOW-UHFFFAOYSA-N 326.312 0.910 50 40 ECGB COC(=O)/C(C#N)=C/c1cc(C[S@@](=O)c2nnnn2C)cs1 66089500 MSNIYIARHWCJAQ-DGOUCMFKSA-N 337.386 0.659 50 40 ECGB COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1OC 6389151 GUFNJOOOGMWOCG-KEBDBYFISA-N 342.355 0.865 50 40 ECGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2O)s1 408730889 JXICJMSQYAPVLO-OVCLIPMQSA-N 349.372 1.505 50 40 ECGB O=C(CC[C@H]1CCCO1)NNC(=O)c1ccc(-n2cnnn2)cc1 44913254 RWDUACWLDDRRMY-CYBMUJFWSA-N 330.348 0.383 50 40 ECGB O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)Nc2ncnc3[nH]cnc23)C1 575421668 KUPZXWXAYKFZGS-PHDIDXHHSA-N 346.825 0.044 50 40 ECGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)Cn1[nH]nnc1=N 408735413 PSEUYDAAHLWQOM-SYZQJQIISA-N 344.162 0.551 50 40 ECGB NS(=O)(=O)c1cccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)c1 5731673 QYRCMUDSPWHNSJ-UHFFFAOYSA-N 344.352 0.420 50 40 ECGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 4525711 PWKDNOCGDFKZNE-VCHYOVAHSA-N 332.360 0.013 50 40 ECGB COc1cc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)cc(OC)c1OC 100327028 UOUZOKXKQHDKOA-SXGUVYOMSA-N 348.359 0.675 50 40 ECGB CC1(C)OC(=O)C2=C1NC(N)=C(C#N)[C@]21C(=O)Nc2ccc(F)cc21 72404798 HVJHPIBHURBIQR-KRWDZBQOSA-N 340.314 0.902 50 40 ECGB Cc1nc(S(=O)(=O)NNC(=O)c2cccc(F)c2F)cn1C 71285200 YPHYQIMVNPZWAS-UHFFFAOYSA-N 330.316 0.630 50 40 ECGB COc1cc(OC)cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)c1 11999350 PKORQNFGOJWBIH-NEPJUHHUSA-N 333.793 0.838 50 40 ECGB COc1cc(/C=N/NC(=O)C(=O)N2CCCC2)cc(OC)c1OC 59515458 WIPSBODVIUYULT-LICLKQGHSA-N 335.360 0.785 50 40 ECGB CC1(C)NC(=O)N(CCC(=O)NNC(=O)Nc2ccccc2)C1=O 8036333 OGTWAPRNTHVAEQ-UHFFFAOYSA-N 333.348 0.560 50 40 ECGB Cn1cccc1C(=O)NNC(=O)[C@@H]1CCCN(c2cnccn2)C1 44980252 GGUZTNATHGWORK-GFCCVEGCSA-N 328.376 0.493 50 40 ECGB O=C(NNS(=O)(=O)c1[nH]cnc1Br)C1CCCC1 585118848 FGCSJOIBRBJKSJ-UHFFFAOYSA-N 337.199 0.672 50 40 ECGB COc1ccc(-n2nc(C(=O)NN)c3csc(N)c3c2=O)cc1 5514047 FTBRZCQLRZJTJP-UHFFFAOYSA-N 331.357 0.642 50 40 ECGB COc1ccc(Br)cc1/C=N/NC(=O)[C@@H]1C=NNC1=O 100948860 PIBWXMOYSWWYRE-QFKBZZQOSA-N 339.149 0.640 50 40 ECGB CCOC(=O)[C@@H]1[C@@H](C(=O)NN)[C@H]1C(=O)Nc1ccc(Cl)cc1 5473521 SUGJHUKBAKPJNA-VWYCJHECSA-N 325.752 0.694 50 40 ECGB CC(=O)c1cccc(N/N=C2/C(=O)N(CCO)C(=O)C(C#N)=C2C)c1 101151068 GCQXBBHNGUIQMG-HMMYKYKNSA-N 340.339 0.858 50 40 ECGB CC(=O)OC[C@@H]1O[C@H](Br)[C@H](OC(C)=O)[C@H]1OC(C)=O 2506816 WIDXXHUKKJXPEP-MMWGEVLESA-N 339.138 0.533 50 40 ECGB CCN(C(=O)CCl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3337364 LREOBBAXROSLKG-UHFFFAOYSA-N 336.779 0.759 50 40 ECGB O=C(C[C@@H]1CCS(=O)(=O)C1)N/N=C\c1cccc([N+](=O)[O-])c1 31776230 LWOYSUJWMCVENS-KSSSLANASA-N 325.346 0.870 50 40 ECGB NNC(=O)Cc1nc(CNc2cccc(Br)c2)n[nH]1 40175880 PKZCDOBOBIHBSS-UHFFFAOYSA-N 325.170 0.712 50 40 ECGB N#C/C(=C(/O)CSc1n[nH]c(=O)[nH]c1=O)c1nc2ccccc2[nH]1 104086091 XZUCKRGAEBJEDR-YFHOEESVSA-N 342.340 0.919 50 40 ECGB C[C@@H](Oc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1)C(=O)O 59679344 FAXDFPDBPGOIHD-YXHQGMJNSA-N 335.360 0.321 50 40 ECGB CCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc1cc(C)ccc1OC 4599025 IKAZJLSESNPPCW-YBFXNURJSA-N 334.376 0.960 50 40 ECGB CN(C)N(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 12778789 IINWHKSAZPDHMH-GFCCVEGCSA-N 327.362 0.701 50 40 ECGB Cc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409382660 MYAGNZNSGXXCFP-KOFHJDLBSA-N 330.340 0.800 50 40 ECGB Cn1c(=O)c2[nH]c(/N=N/N(CCCl)CCCl)nc2n(C)c1=O 1676898 CJXRMFVQDYBVOF-WUKNDPDISA-N 348.194 0.739 50 40 ECGB CC[C@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=O)CBr 35605113 JYSBBRBUETVZBC-IUCAKERBSA-N 335.198 0.440 50 40 ECGB Cn1ncc([N+](=O)[O-])c1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 8873191 WHHRIMUAVQJHAG-UHFFFAOYSA-N 334.248 0.311 50 40 ECGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)cc2)s1 408732835 ZVCRKWHWLMNIAP-OVCLIPMQSA-N 349.372 1.505 50 40 ECGB Cc1ccc2cc(C(=O)NNC(=O)[C@H]3CCS(=O)(=O)C3)[nH]c2c1 75831923 OZYJKFNPGLXBRI-NSHDSACASA-N 335.385 0.672 50 40 ECGB COc1cc(OC)cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)c1 11999344 PKORQNFGOJWBIH-RYUDHWBXSA-N 333.793 0.838 50 40 ECGB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)NN)CC1 10302722 ULHVKJFGSPTDBV-UHFFFAOYSA-N 331.369 0.225 50 40 ECGB C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1cccnc1 62570 ANAXRAYDOIWVPM-FRKPEAEDSA-N 327.308 0.090 50 40 ECGB