smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(O)C[C@H](CP(c1ccccc1)c1ccccc1)C(=O)O 301450 YOXGBTQHWJIBLM-CYBMUJFWSA-N 316.293 2.295 50 40 DEGB CCC[C@H]1[C@@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 377559 YJFXFXGJPWCQFN-CVEARBPZSA-N 309.417 2.453 50 40 DEGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1cccs1 4814888 XRPSWMRBAWIEPO-LDADJPATSA-N 315.398 2.213 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1cccc(F)c1 96519119 RGWATXYYNOYVGL-VHSXEESVSA-N 311.172 2.015 50 40 DEGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(O)c(O)c1 3578593 SBDUEFUZALSZMY-CAOOACKPSA-N 320.732 2.280 50 40 DEGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)NC 408995885 FMDZFLGCHRWFOK-XYOKQWHBSA-N 302.334 2.094 50 40 DEGB O=C(N/N=C\c1ccc(N2CCOCC2)o1)Nc1ccccc1 409019544 ZQGAMQYWEMKDOU-ATVHPVEESA-N 314.345 2.272 50 40 DEGB O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccncc1 2543564 QVPPQDAPAFWTCK-UHFFFAOYSA-N 306.778 2.366 50 40 DEGB Cn1cc(C(=O)N/N=C\c2ccc(O)cc2O)c2ccccc21 103089699 QIFXEOLWQLCNDT-NVMNQCDNSA-N 309.325 2.353 50 40 DEGB Cc1ccc(NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 3102511 ZSSHENROWNUPTK-VCHYOVAHSA-N 312.329 2.465 50 40 DEGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)COc1ccc(C)cc1 4690897 IHDLVSCVHAPWEB-CPNJWEJPSA-N 319.405 2.171 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1 111669099 XTLFRQIZIGKKGQ-YVLHZVERSA-N 301.277 2.427 50 40 DEGB C/C(=N/NC(=O)c1ccccc1)c1ccc(OCC(=O)O)cc1 35426809 RIPCSENWYMPSMI-PDGQHHTCSA-N 312.325 2.304 50 40 DEGB CCOCCC(=O)NNC(=O)/C=C/c1cccc2ccccc12 12137751 OOPZXTVTOZWYJO-ZHACJKMWSA-N 312.369 2.427 50 40 DEGB NC(=O)N/N=c1\oc2ccccc2cc1-c1nc2ccccc2[nH]1 176107 QVKMKXNQXMBLAY-PGMHBOJBSA-N 319.324 2.460 50 40 DEGB CSc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1 173084 WMZWCGDBEZKINS-RQZCQDPDSA-N 318.427 2.441 50 40 DEGB Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccccc2C)c1 44459 YQPVFZXJBRYLIB-UHFFFAOYSA-N 312.369 2.452 50 40 DEGB O=C(CN1CCCc2ccccc21)N/N=C1/CCn2cccc21 70037288 ACSFMADRGCVIHI-CYVLTUHYSA-N 308.385 2.165 50 40 DEGB O=C(NNC(=O)c1cccc(Cl)c1Cl)c1ccncc1 569234 KEKIRCWTDIVWRK-UHFFFAOYSA-N 310.140 2.463 50 40 DEGB Cc1cc(C)nc(NNC(=O)Cn2c(C)cc3ccccc32)n1 22324392 CTTAVNDGNRLUEO-UHFFFAOYSA-N 309.373 2.500 50 40 DEGB O=C(NNC(=O)[C@@H]1CCCO1)Nc1ccc(Cl)c(Cl)c1 40556044 PVRVOPSJAHBFGF-JTQLQIEISA-N 318.160 2.325 50 40 DEGB CS(=O)(=O)[C@H](Br)[C@H](O)c1cccc(Cl)c1 96518996 PCLKHLNKUDAQCH-BDAKNGLRSA-N 313.600 2.139 50 40 DEGB COc1ccc(C(=O)[C@H](Br)CC(=O)O)c(OC)c1 94198475 XEAXWJOLJKNNFM-SECBINFHSA-N 317.135 2.125 50 40 DEGB COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1O 252136 GANZNJMFXYOVHM-DJKKODMXSA-N 317.320 2.102 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 219615 IEUUJMQTCLXZCK-OVCLIPMQSA-N 319.342 2.494 50 40 DEGB N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1ccco1 36297 BIPRWLOWRVUGCE-LBPRGKRZSA-N 305.297 2.283 50 40 DEGB CCCC[C@@H](CCC(=O)NNC(=O)c1ccccc1)C(=O)O 2356270 MCTGXCNCPABOTM-ZDUSSCGKSA-N 306.362 2.119 50 40 DEGB O=C(O)c1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 5945825 WNHDKVXCIQQYPX-VGOFMYFVSA-N 319.298 2.118 50 40 DEGB CC(C)C/C(=N/NC(=O)CN1CCCC1=O)c1cccs1 84456485 GGXHBAKRIBSOTN-VBKFSLOCSA-N 307.419 2.237 50 40 DEGB CCN(C(=O)CCl)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79392669 PQAQBTSRUNSGID-AWEZNQCLSA-N 324.808 2.485 50 40 DEGB C[C@@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)CCl 79419927 QFAKUHIECPNRIO-GFCCVEGCSA-N 310.781 2.095 50 40 DEGB Cc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1C 40177540 LSDUOAGNHBVDFI-CYBMUJFWSA-N 315.822 2.062 50 40 DEGB CS(=O)(=O)[C@@H](Br)[C@H](O)c1cccc(Cl)c1 96518997 PCLKHLNKUDAQCH-RKDXNWHRSA-N 313.600 2.139 50 40 DEGB O[C@]12[C@H](Br)[C@@H]3[C@@H]4[C@@H]5C[C@H]3[C@@H]1[C@@H]5[C@H](Br)[C@H]42 261361233 NTSSKTSJOQWIIC-WVQQLQJISA-N 320.024 2.016 50 40 DEGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1 574672 UMHYYALFRRRPSW-DTQAZKPQSA-N 313.401 2.299 50 40 DEGB Cc1nc(C)c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)s1 3173996 DGARMDFPQZEYMX-VGOFMYFVSA-N 304.331 2.432 50 40 DEGB NNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12 216941393 BENCNTVFIMXACK-UHFFFAOYSA-N 308.297 2.414 50 40 DEGB CN(C)c1ccccc1C(=O)NNC(=S)Nc1ccccc1 5549692 VHYGARUHJRYWNT-UHFFFAOYSA-N 314.414 2.384 50 40 DEGB COc1cc(Cl)cc(/C=N/NC(=O)c2cccnc2)c1O 552180 ZMOZDRXBNVBTLX-CAOOACKPSA-N 305.721 2.213 50 40 DEGB Cn1cc(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccco2)c2ccccc21 84314271 LPQZHZUCMDIILW-STQMWFEESA-N 323.352 2.336 50 40 DEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 408969561 QCBHSXJDUUWCBX-LBBJYAOWSA-N 316.188 2.358 50 40 DEGB COc1ccc(NC(=S)NNC(=O)c2ccccc2F)cc1 42083106 CSWPYFUTQSAARI-UHFFFAOYSA-N 319.361 2.466 50 40 DEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1F 5771528 TVJMZTRGVNUTNZ-LZYBPNLTSA-N 303.249 2.203 50 40 DEGB COCCCNC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1 205773259 ICIDIBLGADVYNB-WYMLVPIESA-N 317.389 2.330 50 40 DEGB N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)Nc1nccs1 3617118 YAJZVJKDSACLCW-XFFZJAGNSA-N 313.338 2.460 50 40 DEGB CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccccc1O 14181754 KTBMUIRNCCVDMQ-HNNXBMFYSA-N 314.341 2.011 50 40 DEGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(F)cc1 408975245 LDGGMKWQAKVCFJ-GIJQJNRQSA-N 300.289 2.247 50 40 DEGB COc1ccccc1NC(=O)NNc1ccc([N+](=O)[O-])cn1 17302457 ZCAFFXXTQMIKPQ-UHFFFAOYSA-N 303.278 2.147 50 40 DEGB N#CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 8220612 VRWRSJSIABLCIU-GXDHUFHOSA-N 307.309 2.405 50 40 DEGB COc1cccc(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)c1 5062977 SVOZMCMZHQPXOQ-BQYQJAHWSA-N 314.341 2.379 50 40 DEGB C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)[C@H]1CCCO1 101394714 IXUAMBUOARQYEH-HVOBPNNYSA-N 323.780 2.340 50 40 DEGB Cc1c(C(=O)N/N=C/c2ccc(C#N)cc2)nc2ccccn12 5265477 GZSCKMAHBNHHGE-YBFXNURJSA-N 303.325 2.278 50 40 DEGB CCN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21 18276272 VYSNVTONBXNQIQ-JZJYNLBNSA-N 307.353 2.116 50 40 DEGB O=C(NN[C@H](C(=O)NC1CC1)c1ccccc1)c1cccs1 15473161 YJUICOWETUMYEP-AWEZNQCLSA-N 315.398 2.002 50 40 DEGB COc1ccccc1N[C@@H]1SC(=O)N(CCCl)C1=O 36626569 ZSSWPSLGWOPNLH-SNVBAGLBSA-N 300.767 2.367 50 40 DEGB NNC(=O)c1ccc(CNc2ccc(Br)cc2)o1 40175901 BROVDSXNLSCKPM-UHFFFAOYSA-N 310.151 2.258 50 40 DEGB CCN(C[C@@H]1CCN(C(=O)CCl)C1)C(=O)OC(C)(C)C 79408828 QZRSMERCCORMNO-NSHDSACASA-N 304.818 2.331 50 40 DEGB Cc1cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c(C)n1C1CC1 11298160 UKQQIHLAAVODGM-MDWZMJQESA-N 323.404 2.337 50 40 DEGB N#C/C(C(=O)CCl)=C(\c1ccc(F)cc1)N1CCOCC1 3294774 XPQRSLBHOBSHBY-SQFISAMPSA-N 308.740 2.200 50 40 DEGB COc1ccc(C(=O)/C=C(/C)NNC(=O)c2ccco2)cc1 408957329 UEIADFMTYPYBIS-KHPPLWFESA-N 300.314 2.309 50 40 DEGB COc1ccc(Cl)cc1/C=C/C=N\NC(=O)C[N+](C)(C)C 16920210 NBHLLEFGSVMVQE-BJWDXFJESA-O 310.805 2.170 50 40 DEGB CO[C@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1 5356290 XCGYTZXWNDWOMM-HKJBKDEOSA-N 312.325 2.253 50 40 DEGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1ccccc1 3201388 IFAGINHHBAOWJA-LVZFUZTISA-N 300.317 2.475 50 40 DEGB O=C1O[C@H]2C[C@@]34CC=CC[C@@]3(C[C@H]2I)[C@@H]14 104282052 ZWDXKNRAQJPUHJ-VNJKPEEASA-N 316.138 2.462 50 40 DEGB C#CCOc1cccc(/C=N/NC(=O)c2ccccc2OC)c1 409258642 YLQGIRGJJRJDLE-CPNJWEJPSA-N 308.337 2.471 50 40 DEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=O)C1CCCC1 5549351 ZPLQUYOIZGRRDM-UHFFFAOYSA-N 310.781 2.365 50 40 DEGB N=C1SCCN1C[C@@H](Br)CBr 5224599 YIJMJTKSTGPYAH-YFKPBYRVSA-N 302.035 2.128 50 40 DEGB C/C(=N\NC(=O)COc1ccc(F)cc1)c1ccc(O)cc1O 409354036 XBMQYKQQTYNLPU-VCHYOVAHSA-N 318.304 2.156 50 40 DEGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc(C(=O)O)cc1 571762 DYOJULPCXRPXGZ-VXLYETTFSA-N 324.340 2.156 50 40 DEGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc[nH]1 5816134 WWBZHUAGOSYNMR-CXUHLZMHSA-N 306.163 2.470 50 40 DEGB CO[C@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 59371299 BSDFNLGZMZTSHZ-VUVCFOEZSA-N 313.313 2.433 50 40 DEGB COc1ccccc1CCC(=O)NNC(=O)c1cccs1 6508933 FJZSLHHBVWUIKG-UHFFFAOYSA-N 304.371 2.151 50 40 DEGB C/C(=N\NC(=O)c1ccccc1O)c1ccc2c(c1)CCC(=O)N2 98054876 QLJNQXGNXPGTHW-RGVLZGJSSA-N 323.352 2.431 50 40 DEGB CCCn1c(=O)c(C(=O)NCCCl)c(O)c2ccccc21 100498404 PIDLSLAXQRSZKX-UHFFFAOYSA-N 308.765 2.086 50 40 DEGB N#CCOc1ccccc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 33508991 KMBOYRANBKLYMS-WQRHYEAKSA-N 324.296 2.261 50 40 DEGB Cc1cccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)c1 354594 VHVFSOMYPPYUQT-GIJQJNRQSA-N 312.325 2.253 50 40 DEGB COc1ccc(CC(=O)N/N=C\c2cccs2)cc1OC 15924260 XHSJLVAAGCTIRT-YBEGLDIGSA-N 304.371 2.458 50 40 DEGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1ccc(C)cc1 4610807 DIBRZTMYIDTCCF-CPNJWEJPSA-N 313.357 2.400 50 40 DEGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 14251682 SHGAUAPAZJODFK-CYBMUJFWSA-N 323.352 2.095 50 40 DEGB O=C1[C@@H]2C[C@H](Br)C(=O)[C@H](C2)C[C@H]1Br 100020257 ZTVHTPMZYCHYIA-UMRXKNAASA-N 309.985 2.082 50 40 DEGB O=C(N/N=C/c1ccc(O)cc1)c1cccc(Cn2cccn2)c1 131803 ASQYDVDSOPWHCO-XDHOZWIPSA-N 320.352 2.401 50 40 DEGB Cc1ccsc1/C=N\NC(=O)CC(=O)NCc1ccccc1 4905624 JVYFIJNSCNTALF-WQRHYEAKSA-N 315.398 2.213 50 40 DEGB O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 3151119 LTJXHPLUXQHIDD-GIJQJNRQSA-N 303.268 2.054 50 40 DEGB COC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 2132501 NLFHWDMIKVGTDM-LURJTMIESA-N 307.133 2.148 50 40 DEGB COC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1 8973242 SKRHUYIAOHIWSN-LBPRGKRZSA-N 316.382 2.240 50 40 DEGB N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1cccnc1 91274 SDFBUQUVDHTUSB-CYBMUJFWSA-N 316.324 2.085 50 40 DEGB CC(=O)C1=C(O)C(=O)N(CCBr)[C@@H]1c1ccccc1 550629 LQHIFEIHBIJABM-GFCCVEGCSA-N 324.174 2.366 50 40 DEGB N#CCCO[P@@](=O)(N(CCCl)CCCl)N1CC1 1761336 VRXAYEMUOIXCIB-KRWDZBQOSA-N 300.126 2.120 50 40 DEGB COc1ccc(C(=O)NN=C2CCN(C(C)C)CC2)cc1OC 5384389 HSGOWXXIZDNJOI-UHFFFAOYSA-N 319.405 2.294 50 40 DEGB CCOC(=O)/C(C#N)=C/c1ccc(OCC#N)c(OCC)c1 113855519 IKXSWCGHNYGIBP-UKTHLTGXSA-N 300.314 2.458 50 40 DEGB COC(=O)[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 71789929 YNHAMFHSZCNLPH-DGAVXFQQSA-N 324.218 2.443 50 40 DEGB CCS(=O)(=O)[C@H](Br)C(=O)c1ccccc1F 96517885 DUOGUWMGQWQBJT-JTQLQIEISA-N 309.156 2.164 50 40 DEGB Cc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n(C)n1 253400824 LYUGDOCRXLAWIL-CQSZACIVSA-N 312.373 2.179 50 40 DEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2O)n1 3121544 HHIFEKZBOBIXJD-LZYBPNLTSA-N 316.386 2.041 50 40 DEGB CO[C@@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 59371300 BSDFNLGZMZTSHZ-QAEAHILHSA-N 313.313 2.433 50 40 DEGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)c1cccs1 6452107 IFKNEAFNTUXYLS-VOTSOKGWSA-N 317.326 2.131 50 40 DEGB Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccco2)c2ccccc21 84314273 LPQZHZUCMDIILW-CHWSQXEVSA-N 323.352 2.336 50 40 DEGB COC(=O)[C@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br 100408627 YNHAMFHSZCNLPH-XDQVBPFNSA-N 324.218 2.443 50 40 DEGB Cc1ccc2c(c1)c(=O)c1c3n2CCN(C(=O)CCl)[C@H]3CC1 506899 OUTWDXPGWJBTIY-AWEZNQCLSA-N 316.788 2.378 50 40 DEGB aggregator CCc1ccccc1OCC(=O)N/N=C(\C)c1cn(C)nc1C 508217 ZQUYGPVXIVIFTH-LDADJPATSA-N 314.389 2.210 50 40 DEGB CCN(NC(=O)CNC(=O)c1ccccc1)c1ccc(C)cc1 14186968 QIGLYFJJYHGGDB-UHFFFAOYSA-N 311.385 2.283 50 40 DEGB O=C(NCC1CCN(C(=O)CCl)CC1)OCc1ccccc1 79411793 YYRSSTJBAFNOQO-UHFFFAOYSA-N 324.808 2.390 50 40 DEGB CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC2(CO)CC2)c1C 98056690 BVUIYVUUMZZKTM-CXUHLZMHSA-N 315.417 2.311 50 40 DEGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] 66654 GXLUDHCQBGUDQB-LZYBPNLTSA-N 313.269 2.087 50 40 DEGB Cc1cc(C(=O)NNC(=O)NCCc2ccccc2)c(C)o1 40477768 PYGHVTNAQIOPAD-UHFFFAOYSA-N 301.346 2.083 50 40 DEGB C/C(=N\NC(=O)COc1ccccc1)c1ccc2c(c1)OCO2 5381555 GIVBQMGMWMUUSM-LDADJPATSA-N 312.325 2.335 50 40 DEGB CC(C)N1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21 3471689 DOFAFPQEPWFRSK-MNDPQUGUSA-N 323.352 2.281 50 40 DEGB CN(C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CCl 79392639 ZQVNRUREAYSACM-CQSZACIVSA-N 324.808 2.485 50 40 DEGB O=C(O)CS[C@@H](NNC(=O)c1ccccc1)c1ccccc1 16758382 KYAJOSFNKVGVSM-MRXNPFEDSA-N 316.382 2.438 50 40 DEGB COC(=O)/C(C#N)=C1/[C@@H]2CC[C@@H](C)[C@H]1C(=O)C(C#N)=C2SC 5528109 VTNUUNLCRFINGS-BLSZMDOFSA-N 316.382 2.365 50 40 DEGB Cn1/c(=N\NC(=O)COC2CCCC2)sc2ccccc21 102152837 OZAVXZWUAYKOHE-BMRADRMJSA-N 305.403 2.131 50 40 DEGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1C[C@@H]1[N+](=O)[O-] 44266450 JBSBNXIGMQNOTI-GJZGRUSLSA-N 309.325 2.220 50 40 DEGB COC(=O)/C(O)=C1/C(=O)[C@@]2(C)CC[C@H]1[C@]2(C)CBr 107603056 VWPNDMWKMFEUNP-ATAZSIJWSA-N 317.179 2.372 50 40 DEGB CN(C[C@H]1CCCCN1C(=O)CCl)C(=O)OC(C)(C)C 79408757 GLFWCRSQDRVVOG-LLVKDONJSA-N 304.818 2.473 50 40 DEGB CCS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc(C)cc1 96519106 HFKALVLTLHZKJA-QWRGUYRKSA-N 307.209 2.184 50 40 DEGB CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 247143 GZXWDLARHBIJJD-HFQYIWAZSA-N 300.358 2.287 50 40 DEGB N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccccc1Cl 1579902 PJJNFBSEUJKYHV-RPJLVFAOSA-N 317.776 2.066 50 40 DEGB Cc1cccc(OCC(=O)N/N=C/c2ccccc2C(=O)O)c1 3286940 TYSIYZIFYWPUGQ-VCHYOVAHSA-N 312.325 2.222 50 40 DEGB CCS(=O)(=O)[C@H](Br)C(=O)c1ccccc1C 96517889 FQXIBPMCZHZAID-NSHDSACASA-N 305.193 2.333 50 40 DEGB Cc1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1 508846 LDOLRCIVXFNLKI-UHFFFAOYSA-N 312.369 2.452 50 40 DEGB CC1(C)C(=O)[C@@]2(Br)CC[C@]1(C=O)[C@H]2Br 109275291 BHBBKYJAFTZJJA-WHFVKQHSSA-N 324.012 2.472 50 40 DEGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc(C)n[nH]2)c(O)c1 96793060 GDOZRPJUBBRPNX-YVLHZVERSA-N 315.377 2.034 50 40 DEGB Cc1nc2ccccn2c1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1 7041475 FIIWMMASUNDNPD-LICLKQGHSA-N 323.312 2.315 50 40 DEGB CN(C)C(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 2348192 KBMARDPLVZNCNA-AQUOVQTQSA-N 302.212 2.234 50 40 DEGB COc1ccc(C(=O)N/N=C\c2ccc(O)cc2)cc1OC 102796063 HPMDZXFWFSCFSH-YVLHZVERSA-N 300.314 2.173 50 40 DEGB COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)c(O)c1 3031862 LKWFCHMOSSDUPM-VCHYOVAHSA-N 314.341 2.238 50 40 DEGB NC(=O)N/N=C1/CC(=O)N(c2ccccc2)[C@H]1c1ccccc1 104266712 UKIAXNMTOLINJG-UYPHOHSBSA-N 308.341 2.189 50 40 DEGB O=C1C[C@]2(C[C@@H](Cl)N=N2)C(=O)N1c1cccc([N+](=O)[O-])c1 5254376 FEBLIVBHGPYGTP-JOYOIKCWSA-N 308.681 2.018 50 40 DEGB C/C(=N/NC(=O)COc1ccccc1)c1ccc(O)cc1O 13943791 BKUAXYKUXFNYNI-BOPFTXTBSA-N 300.314 2.017 50 40 DEGB C/C(=N\NC(=O)c1ccc(Cl)cc1)c1c(O)cc(C)oc1=O 8548765 CDNMEHHUJPFSHT-RQZCQDPDSA-N 320.732 2.461 50 40 DEGB C#CCOc1cccc(/C=N/NC(=O)COc2ccccc2)c1 408529463 JSEHBZNZQSIHGE-CPNJWEJPSA-N 308.337 2.228 50 40 DEGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1nn[nH]n1 3127073 GFWMHFHWEVCJFA-VCHYOVAHSA-N 316.324 2.270 50 40 DEGB N[C@@H](Cc1ccc(O)cc1)C(=O)N/N=C\c1ccccc1Cl 5461853 PJJNFBSEUJKYHV-HNIBHBHRSA-N 317.776 2.066 50 40 DEGB O=C(CCc1ccc(O)cc1)N/N=C/c1ccc2c(c1)OCO2 1726821 NRGKBSPQRRPUSV-VCHYOVAHSA-N 312.325 2.204 50 40 DEGB COCCOC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(F)cc1 54216047 WKZBPYGGTQJWNZ-XYOKQWHBSA-N 315.304 2.312 50 40 DEGB CC(C)CNC(=O)CC(=O)N/N=C/c1c(F)cccc1Cl 59444793 AORJPMAVJZLTSQ-QGMBQPNBSA-N 313.760 2.092 50 40 DEGB N#CC1=C(S)NC(=O)[C@@H]([n+]2ccccc2)[C@@H]1c1cccs1 56634889 YPMFMKZDYHXALK-STQMWFEESA-O 314.415 2.155 50 40 DEGB CCOc1ccc([C@@H]2NC(=O)NC(CCl)=C2C(=O)OC)cc1 57509110 KUEODELAAOYTTJ-ZDUSSCGKSA-N 324.764 2.105 50 40 DEGB Cc1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2O)c(C)c1 3230256 VZOJZVBWRHZKKP-CAOOACKPSA-N 300.314 2.184 50 40 DEGB COCc1cccc(C(=O)NNC(=O)c2ccc(F)cc2)c1 7913707 AYLDQZFVLAFHQE-UHFFFAOYSA-N 302.305 2.047 50 40 DEGB O=C(N/N=C\c1ccc(Br)cc1)c1cnccn1 30708056 KMRVSADFNHHSQW-APSNUPSMSA-N 305.135 2.003 50 40 DEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Cl)cc1 13576957 UKCLKUYNDIWVJQ-JYRVWZFOSA-N 301.733 2.474 50 40 DEGB CCCC(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 7260852 QKGHGXLJEZYHED-VGOFMYFVSA-N 315.167 2.414 50 40 DEGB O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1 5603223 LZLATNIMRKKTKH-YBFXNURJSA-N 315.760 2.107 50 40 DEGB N#Cc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 61722 MISWKHLMCPJXDV-WOJGMQOQSA-N 308.297 2.159 50 40 DEGB C[C@@]1(C(=O)NNC(=O)Cc2ccc(F)cc2)CC1(Cl)Cl 36309979 YMUDERYTYZVHOR-LBPRGKRZSA-N 319.163 2.100 50 40 DEGB COc1cc(SC)ccc1C(=O)NNC(=O)c1ccccc1 2642698 HZZUOCZULPKYMK-UHFFFAOYSA-N 316.382 2.492 50 40 DEGB O=S(=O)(c1ccc(Cl)c(N=C=S)c1)N1CCOCC1 3885135 PVHQOLROQSEBDV-UHFFFAOYSA-N 318.807 2.095 50 40 DEGB CC1(CC(=O)N/N=C/c2ccccc2C(F)(F)F)OCCO1 408864409 ZXSPHVNVMRYBFN-GIJQJNRQSA-N 316.279 2.309 50 40 DEGB Cc1ccccc1C(=O)NNC(=O)c1cc(Cl)ccc1O 69804 IEEPYVNJPGJGPQ-UHFFFAOYSA-N 304.733 2.429 50 40 DEGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)Cc1ccccc1 100510188 BOCFSCCTFJJLFM-CPNJWEJPSA-N 313.357 2.021 50 40 DEGB O=C(N/N=C/c1cccc2c1OCO2)c1ccccc1[N+](=O)[O-] 218625 ITYHNPOTHXCSRX-LZYBPNLTSA-N 313.269 2.087 50 40 DEGB CCCN1CCC(=NNC(=O)c2ccc(N(C)C)cc2)CC1 5393241 IXHWJLIYUGVBGS-UHFFFAOYSA-N 302.422 2.344 50 40 DEGB COc1ccc(OC)c(/C=N\NC(=O)COc2ccccc2)c1 33734986 LHQUTBNIPXGMJL-WQRHYEAKSA-N 314.341 2.233 50 40 DEGB O=C(CCl)N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79392620 VLKJLVHKSWJTIM-CYBMUJFWSA-N 310.781 2.143 50 40 DEGB COc1ccccc1/C=N/NC(=O)c1cccc(NC(C)=O)c1 254350 PZFOEWGFBMKCOZ-WOJGMQOQSA-N 311.341 2.418 50 40 DEGB COc1ccccc1NC(=S)NNC(=O)c1ccccc1O 6571630 DWZZOWROCWRPRH-UHFFFAOYSA-N 317.370 2.032 50 40 DEGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)C1CCCCC1 12556090 KMQUHKZMJQWHRP-LDADJPATSA-N 305.378 2.358 50 40 DEGB COc1ccccc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 33777492 BKJRJOAPXLWOAI-BOPFTXTBSA-N 313.313 2.296 50 40 DEGB CCSc1nc(N2CCCC2)c2cc(C(=O)NN)sc2n1 223465034 BOYXAOZAPCJEBI-UHFFFAOYSA-N 323.447 2.007 50 40 DEGB C/C(N)=C(/C#N)C(=O)COC(=O)c1cc2c(s1)CCCCC2 5253592 DZDVWRCQEQBPSI-ZRDIBKRKSA-N 318.398 2.499 50 40 DEGB O=C(NNC(=O)c1ccccc1O)c1ccc2ncsc2c1 5172028 AJNKALDJYPDCNS-UHFFFAOYSA-N 313.338 2.077 50 40 DEGB COC(=O)[C@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br 255004312 YNHAMFHSZCNLPH-IGQOVBAYSA-N 324.218 2.443 50 40 DEGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59459571 BVCXSFPBZWZMDY-FRKPEAEDSA-N 316.188 2.358 50 40 DEGB C=CCN1C(=O)/C(=N\NC(=O)c2cccs2)c2ccccc21 4724341 HCSLDQRVCCGANZ-VKAVYKQESA-N 311.366 2.415 50 40 DEGB O=C1c2ccccc2C(=O)N1CN(CCCl)CCCl 95762994 NNESHRNTUABYGW-UHFFFAOYSA-N 301.173 2.020 50 40 DEGB C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)O 201851164 NNANGMFTFSNDLW-VPOLOUISSA-N 301.459 2.232 50 40 DEGB O=C(C[n+]1ccccc1)N/N=C/c1ccc(Cl)c(Cl)c1 1752518 LRAPIMYWIJMYKN-RQZCQDPDSA-O 309.176 2.431 50 40 DEGB Cc1cc2c(c(=O)n1C)[C@@H](c1ccccc1F)C(C#N)=C(N)O2 2338801 WYEHVDQCIKHKSE-AWEZNQCLSA-N 311.316 2.051 50 40 DEGB CC(C)CN1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21 3572211 HCXLIBTVJDQJIG-SILNSSARSA-N 322.368 2.218 50 40 DEGB Cn1cccc1C(=O)N/N=C/c1c[nH]nc1-c1ccc(F)cc1 4003091 GMFBAFHDKKWGAF-VXLYETTFSA-N 311.320 2.318 50 40 DEGB O=C1C[C@@]2(C[C@H](Cl)N=N2)C(=O)N1c1cccc([N+](=O)[O-])c1 5254374 FEBLIVBHGPYGTP-SKDRFNHKSA-N 308.681 2.018 50 40 DEGB COc1cccc(-c2cc(C(=O)NN)nn2-c2ccccc2)c1 225310611 SWMMFUJBYXABCM-UHFFFAOYSA-N 308.341 2.151 50 40 DEGB Cc1ccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)s1 6788925 ZCYXXKXKBFDQPI-HBNTYKKESA-N 309.460 2.354 50 40 DEGB C/C(=N\NC(=O)c1cccnc1)c1ccc(N2CCOCC2)cc1 4619424 WDIBWOHMRUCETH-XSFVSMFZSA-N 324.384 2.072 50 40 DEGB N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1ccncc1 5819388 BSKDYZRKRZZVBD-QMMMGPOBSA-N 307.235 2.042 50 40 DEGB CCC(=O)NNc1ncnc2c1cnn2-c1cccc(Cl)c1 17248239 XGANAEUPZOEULH-UHFFFAOYSA-N 316.752 2.322 50 40 DEGB COc1cc2c(cc1/C=N/NC(=O)c1cccs1)OCO2 409099294 KVBWZVABJHHUPN-VIZOYTHASA-N 304.327 2.249 50 40 DEGB CNC(=O)/C(C#N)=C1/S[C@@H](C)C(=O)N1c1ccc(Cl)cc1 5573593 WGIIRABJRGDZPK-OOQSBHPRSA-N 321.789 2.289 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1O 558887 OJPVKHJINGBLLN-DJKKODMXSA-N 313.288 2.175 50 40 DEGB O=C(N/N=C\c1cccs1)[C@@H]1CC(=O)N(c2ccccc2)C1 6890007 QWLKMIKMDIXLJB-HJPCULJESA-N 313.382 2.251 50 40 DEGB Cc1ccc2nc(-n3nc(C)c(C(=O)NN)c3C)sc2c1 57351347 SMUADGVAIFKTOT-UHFFFAOYSA-N 301.375 2.011 50 40 DEGB O=C(NNC(=S)Nc1ccc(F)cc1)c1ccccc1O 46170 HAWQFTQKDAUJNE-UHFFFAOYSA-N 305.334 2.163 50 40 DEGB Cc1cc(C(=O)NNC(=O)CCC(=O)c2cccs2)c(C)o1 3523695 PJWBRJLCKRJEFE-UHFFFAOYSA-N 320.370 2.382 50 40 DEGB Cc1ccc(CN(C)C(=O)NNC(=O)c2ccoc2C)cc1 32795453 JQZDETZTGLCUIC-UHFFFAOYSA-N 301.346 2.383 50 40 DEGB CC1CCC(=NNC(=O)C(=O)NN=C2CCC(C)CC2)CC1 5192041 UMSOOFBAKKPZLE-UHFFFAOYSA-N 306.410 2.351 50 40 DEGB N#C/C(=C/c1cccc(OCC(N)=O)c1)C(=O)Nc1ccccc1 409227414 YKAYCFPIXHCNCJ-ZROIWOOFSA-N 321.336 2.096 50 40 DEGB CCc1ccc(OCC(=O)NNC(=O)/C=C/c2ccco2)cc1 3483427 IFUCJRCUJQXPON-MDZDMXLPSA-N 314.341 2.082 50 40 DEGB CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCN(C(=O)CCl)C1 79408906 NIPLWIMWHKBMKL-LLVKDONJSA-N 302.802 2.226 50 40 DEGB COc1cccc2c1N(C(C)(C)C(=O)NN)C(C)(C)C=C2C 223207722 SRODWXGCTRGXEU-UHFFFAOYSA-N 303.406 2.466 50 40 DEGB O=C(CSc1ccccn1)N/N=C/c1cccc([N+](=O)[O-])c1 195836 DKDKDNMWXYJOBI-CXUHLZMHSA-N 316.342 2.232 50 40 DEGB Cc1ccc(C(=O)NCCI)cc1C 1621663 MVWGQZNQTAVTQH-UHFFFAOYSA-N 303.143 2.468 50 40 DEGB COc1cc(/C=N\NC(=O)c2ccco2)cc(OC)c1OC 33311282 UGAKHFMJBNRTLP-SXGWCWSVSA-N 304.302 2.069 50 40 DEGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(OC)c1O 4155640 QRLVNBIKACCKRE-LZYBPNLTSA-N 304.302 2.075 50 40 DEGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)NC1CCCC1 33734371 ZHYOBTANKZPWGJ-XFFZJAGNSA-N 301.302 2.266 50 40 DEGB CCOc1ccc(C(=O)NN)cc1COc1ccccc1OC 224572678 QBADOVRKYNSQDA-UHFFFAOYSA-N 316.357 2.276 50 40 DEGB N#C/C(=C/c1ccc(N(CCCl)CCCl)cc1)C(N)=O 345126 FSVRWBUDLCXKPZ-XFXZXTDPSA-N 312.200 2.363 50 40 DEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2C12C[C@@H]2[C@@H]1CC(F)(F)C1(F)F 100023740 WILPAPVUDZVAGG-DAORTFEHSA-N 316.250 2.415 50 40 DEGB CCOc1ccc(C(=O)NN)cc1COc1cccc(OC)c1 224583860 DPKPDGGCTAJELI-UHFFFAOYSA-N 316.357 2.276 50 40 DEGB COc1ccccc1C=NNC(=O)c1sc(N)c(C#N)c1C 254703889 VRPNMVAWYOYKJC-UHFFFAOYSA-N 314.370 2.283 50 40 DEGB COc1ccc(CC(=O)N/N=C\c2ccc(O)cc2)cc1OC 5745609 OPHGGFGCTRHSQB-WQRHYEAKSA-N 314.341 2.102 50 40 DEGB NC(=O)N/N=C1\C(=O)Nc2cc3sc4ccccc4c3cc21 12436912 ZARXMSPGIBJWPI-UHFFFAOYSA-N 310.338 2.379 50 40 DEGB Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C/c2ccco2)c1 6825709 LDMFHSXQCYLMHR-AATRIKPKSA-N 314.341 2.136 50 40 DEGB Cc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)o1 4834329 OCWYQDBFUWVCKT-VQIMKDEXSA-N 311.341 2.091 50 40 DEGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2)cc1 54821 ISPMOJCBJXUIRZ-UHFFFAOYSA-N 324.789 2.272 50 40 DEGB CSCCCNC(=S)NNC(=O)c1c[nH]c2ccccc12 3374526 RHEBLXCHFMDGGL-UHFFFAOYSA-N 322.459 2.030 50 40 DEGB CCN(NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(C)cc1 8050773 KEOOICFQAFEQFX-UHFFFAOYSA-N 322.368 2.403 50 40 DEGB O=C(NNC(=O)c1ccccn1)c1ccc(-c2ccco2)cc1 4672113 JBZGPPSUUQHIEP-UHFFFAOYSA-N 307.309 2.416 50 40 DEGB C/C(=N\NC(=O)c1cc(Br)cn1C)c1ccccn1 17683952 SXGWUYBZSFDRMJ-CXUHLZMHSA-N 321.178 2.337 50 40 DEGB NNC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 40217057 VRCCLPBWCAKHIY-UHFFFAOYSA-N 308.341 2.259 50 40 DEGB CC(=O)/C(C#N)=C1\NC(=O)[C@@H](Cc2ccc(C)c(C)c2)S1 84923862 WTLJJAYZTMBARP-LBFFYKKLSA-N 300.383 2.402 50 40 DEGB c1cnc(NCCSSCCNc2ncccn2)nc1 1744186 ZJQGOAGUNSKNGT-UHFFFAOYSA-N 308.436 2.172 50 40 DEGB Cc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])s1 4721086 ZIMFMOVJXSDIJW-OVCLIPMQSA-N 319.342 2.494 50 40 DEGB Cn1cccc1CC(=O)NNC(=O)Nc1cccc(Cl)c1 3192663 OQRKYYVVBCNHEQ-UHFFFAOYSA-N 306.753 2.074 50 40 DEGB O=C(N/N=C/c1ccc(O)cc1)c1cncc(Br)c1 289410 QEHHWMVKBHDUFX-OMCISZLKSA-N 320.146 2.314 50 40 DEGB Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2)cc1 5593651 XMGMSRWEFFJJLL-KBPBESRZSA-N 315.760 2.105 50 40 DEGB CNC(=S)N/N=C\c1ccc(N(CCF)CCCl)cc1 104073815 HFTLTYVYYHWWBE-YVLHZVERSA-N 316.833 2.129 50 40 DEGB Nc1ncnc(O[C@H]2C=CC(Cl)=C[C@H]2Cl)c1[N+](=O)[O-] 26802714 QNDFVQOPPDCPKK-RQJHMYQMSA-N 303.105 2.014 50 40 DEGB CCN1C(=O)/C(=N\NC(=O)c2cccc(F)c2)c2ccccc21 18192144 MRZCGXPVSDKDHX-CYVLTUHYSA-N 311.316 2.326 50 40 DEGB Cn1cc(C(=O)NNC(=O)Cc2cccs2)c2ccccc21 15021994 ZLANIVPZFREANB-UHFFFAOYSA-N 313.382 2.244 50 40 DEGB Cc1ccccc1CC(=O)NNC(=O)c1c[nH]c2ccccc12 17523729 GUYLCDJHAAUQDG-UHFFFAOYSA-N 307.353 2.480 50 40 DEGB O[C@]12[C@H](Br)[C@@H]3[C@@H]4[C@@H]5C[C@H]3[C@@H]1[C@@H]5[C@@H](Br)[C@H]42 261361234 NTSSKTSJOQWIIC-YHOMHKNYSA-N 320.024 2.016 50 40 DEGB COc1ncc(NC(=O)CBr)cc1C(F)(F)F 163276 JLJPZUJNZBJGRN-UHFFFAOYSA-N 313.073 2.442 50 40 DEGB Cn1cc(C(=O)N/N=C2/C(=O)Nc3ccccc32)c2ccccc21 5927064 YEJZNGPMAXQOAW-UHFFFAOYSA-N 318.336 2.265 50 40 DEGB Cn1ncc2c(NNC(=O)c3ccc(C(C)(C)C)cc3)ncnc21 12778983 CQQPSFWWUQCNRT-UHFFFAOYSA-N 324.388 2.418 50 40 DEGB CO[C@H](C(=O)N/N=C/c1ccccc1C(=O)O)c1ccccc1 20246295 GVDNTJXLWKMTGI-LZNAANCOSA-N 312.325 2.223 50 40 DEGB COc1cccc(C=NNC(=O)c2sc(N)c(C#N)c2C)c1 408729481 GBJDWIWBZAVUJF-UHFFFAOYSA-N 314.370 2.283 50 40 DEGB CCOc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1OC 6210021 YFXGFZFYBDFARV-GXDHUFHOSA-N 318.373 2.154 50 40 DEGB Cc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1 4113754 KZRXPHTUODFBKA-UDWIEESQSA-N 309.369 2.070 50 40 DEGB N[C@H](Cc1ccccc1)C(=O)N/N=C/C1=Cc2ccccc2OC1 5068821 RULIEJFEGVXNFT-KKJJZKEWSA-N 321.380 2.134 50 40 DEGB CC1(C)CC(=O)C=C(NNC(=O)c2ccccc2[N+](=O)[O-])C1 4957644 BSGMRDAQERZOPN-UHFFFAOYSA-N 303.318 2.102 50 40 DEGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 196618 AMRKTUNAOZHNMU-CQSZACIVSA-N 310.309 2.175 50 40 DEGB biogenic COC(=O)N/N=C(\C)c1ccc(S(=O)(=O)C2CCCC2)cc1 46094492 FLBGOTWCKGSKDA-LFIBNONCSA-N 324.402 2.483 50 40 DEGB Cc1cc(C(=O)NNc2ncccn2)c(C)n1Cc1ccccn1 42041546 WCNVKIIOYRWONX-UHFFFAOYSA-N 322.372 2.095 50 40 DEGB NC(=S)N/N=C\c1ccc(N(CCCl)CCCl)cc1 104385905 YOLBRZBUSXEONX-SXGWCWSVSA-N 319.261 2.138 50 40 DEGB O=C(CCl)Nc1ncnc2c1C(=O)C[C@H](c1ccco1)C2 408712727 LLUUTOJLBRSIMG-MRVPVSSYSA-N 305.721 2.160 50 40 DEGB CCC/C=N/NC(=O)c1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1 4263788 ASEWANIKXMQPGQ-WLRTZDKTSA-N 310.266 2.027 50 40 DEGB COc1ccc(/C=C/C(=O)NNC(=O)CCc2ccccc2)cc1 1794895 BWSFTNUKOUASQS-GXDHUFHOSA-N 324.380 2.489 50 40 DEGB O=C(NN=C1CCN(CC(F)(F)F)CC1)NC1CCCC1 65672086 VTZNNKFUDJKCKX-UHFFFAOYSA-N 306.332 2.242 50 40 DEGB CCCOc1cccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c1 53106622 WLNDRJJBGGASTP-UKTHLTGXSA-N 324.388 2.373 50 40 DEGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCCCC)cc1 3668631 BFNLFZLREQPCLE-CPNJWEJPSA-N 319.405 2.232 50 40 DEGB COc1ccc(C(=O)NNC2=CC(=O)CC(C)(C)C2)cc1OC 4567656 ZTJZAGGAESNMSR-UHFFFAOYSA-N 318.373 2.211 50 40 DEGB C/C(CCc1ccccc1)=N\NC(=O)C(=O)N1CCCCC1 4525740 WAZUVKKPMQVHOF-NBVRZTHBSA-N 301.390 2.124 50 40 DEGB CC(C)N(C(=O)CCl)[C@H]1CCN(C(=O)OC(C)(C)C)C1 79392540 HLWQGYSBBISHSO-NSHDSACASA-N 304.818 2.472 50 40 DEGB COc1ccc(C(=O)N/N=C\c2cccc(OC)c2OC)cc1 5330097 NITMQQUPFOBIJF-WQRHYEAKSA-N 314.341 2.476 50 40 DEGB CC(=O)NNC(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 96013208 IENCQVLAUNUSMT-UHFFFAOYSA-N 305.256 2.109 50 40 DEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(C)o1 408566182 DYNKPCCHKWXFKB-OVCLIPMQSA-N 303.274 2.269 50 40 DEGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1cccc(C(=O)O)c1 408831843 WYQJAMAQHYGXBI-VGOFMYFVSA-N 309.325 2.185 50 40 DEGB O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1ccccn1 9315182 WYKRZKMHJXSJQA-NWDGAFQWSA-N 315.760 2.300 50 40 DEGB COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(C)c1C 408776990 SXVJSVCCWLYZFW-ZDLGFXPLSA-N 315.373 2.180 50 40 DEGB COc1ccccc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 3094657 IMAGYMCUIYBZBS-GZTJUZNOSA-N 313.313 2.296 50 40 DEGB COc1ccc(CC(=O)N/N=C2/CC(=O)CC(C)(C)C2)cc1 100006507 LLLKIVROBXXSRE-AQTBWJFISA-N 302.374 2.489 50 40 DEGB C=CCN1C(=O)/C(=N/NC(=O)c2ccc(F)cc2)c2ccccc21 4702486 XAMVWQMCBXDPBV-CAPFRKAQSA-N 323.327 2.492 50 40 DEGB Cn1cccc1/C=N\NC(=O)COc1cccc2cccnc12 409021727 VKBGQBDOSHQYIK-ODLFYWEKSA-N 308.341 2.102 50 40 DEGB COc1ccc(C(=O)NN=C(CCl)CCl)cc1OC 409057172 JBMZRCNFABDAEF-UHFFFAOYSA-N 305.161 2.267 50 40 DEGB COC(=O)c1cccc(NC(=O)N/N=C/c2cccc(O)c2)c1 136292 GYYXIRNAVLXOJF-LICLKQGHSA-N 313.313 2.334 50 40 DEGB CCOc1ccc(C(=O)NNC(=O)C2CCCCC2)cc1OC 8314474 UTUHQQOZTMFRDR-UHFFFAOYSA-N 320.389 2.435 50 40 DEGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccco1 59515553 FOODWQWNMZMXGM-LZYBPNLTSA-N 305.721 2.330 50 40 DEGB C/C(NCCCn1ccnc1)=C(\C#N)C(=O)NC1CCCCC1 100721358 PZPBZOLFMAIGQJ-PEZBUJJGSA-N 315.421 2.109 50 40 DEGB Cc1ccsc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 4721065 VEIUNAREFMMQHI-OVCLIPMQSA-N 319.342 2.494 50 40 DEGB CC[C@@H]1S/C(=C(/C#N)C(N)=O)N(c2ccc(C)cc2)C1=O 2344018 YBCYXVZSJVPGHI-CMHHUMAZSA-N 301.371 2.074 50 40 DEGB CCCOc1ccc(C(=O)NNC(=O)c2ccc(C)o2)cc1 7007745 ATLJRDXJFLAKQY-UHFFFAOYSA-N 302.330 2.452 50 40 DEGB O=S(=O)(O)Oc1ccc(N(CCCl)CCCl)cc1 1763217 MDZGYTQAXLBADC-UHFFFAOYSA-N 314.190 2.152 50 40 DEGB CCN1C(=O)/C(=N\NC(=O)c2ccc(OC)cc2)c2ccccc21 102544494 SUWBJNAHLVCGSC-MNDPQUGUSA-N 323.352 2.196 50 40 DEGB CN(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CCl 79392638 ZQVNRUREAYSACM-AWEZNQCLSA-N 324.808 2.485 50 40 DEGB CC[C@@H]1C(C#N)=C(SCC(N)=O)NC2=C1C(=O)CC(C)(C)C2 501009 XRAJNNDGONCGEO-SECBINFHSA-N 319.430 2.213 50 40 DEGB CC1(C)[C@@]2(C(=O)NNc3ccccc3)CC[C@@]1(C)C(=O)C2=O 100834611 MWKOPWFJYCNEMT-IRXDYDNUSA-N 300.358 2.094 50 40 DEGB COc1cc2c(cc1/C=N\NC(=O)c1ccccc1F)OCO2 409069842 ASIBKADKFUJAAA-LSCVHKIXSA-N 316.288 2.327 50 40 DEGB COc1ccc(CC(=O)N/N=C(\C)c2ccco2)cc1OC 5638633 QAPRCBXLKDGVKW-GZTJUZNOSA-N 302.330 2.380 50 40 DEGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NN=Cc1ccc(O)cc1)C[C@H]2O 253498508 BUACLTUPCYMJFI-OLMNPRSZSA-N 316.401 2.420 50 40 DEGB CC[C@H](N(C)C)N1/C(=C(\C#N)C(=O)OC)Nc2ccccc21 255188008 IGPHFWDDHUDYRN-XDPMZMSMSA-N 300.362 2.124 50 40 DEGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1ccc(Cl)c(Cl)c1 5350031 RZKMYHRKTBZFQK-GIDUJCDVSA-N 313.144 2.115 50 40 DEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccs2)n1 45346 FULLGEGRBIRFMS-VGOFMYFVSA-N 306.416 2.397 50 40 DEGB O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(O)cc1 7989551 QENWOOONJFEWJE-UHFFFAOYSA-N 307.309 2.015 50 40 DEGB O=C(CCl)Nc1cc2c(cc1Br)OCCO2 5816084 ZUTSNIYFLOBPES-UHFFFAOYSA-N 306.543 2.398 50 40 DEGB CCS(=O)(=O)[C@H](Br)C(=O)c1cccc(F)c1 96517887 GYMGMBATDWPXQR-JTQLQIEISA-N 309.156 2.164 50 40 DEGB CCn1ncc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)c1F 252498397 RBDCNFNOIBRFRX-HRADPRCWSA-N 300.337 2.296 50 40 DEGB Cc1nc2ccccc2nc1COc1ccc(C(=O)NN)cc1 16265305 QOWCEEMZUMFYTP-UHFFFAOYSA-N 308.341 2.121 50 40 DEGB CO[C@H](C(=O)N/N=C/c1ccc(OCC#N)cc1)c1ccccc1 5511831 JRNPSZTXJPUJBW-NNIWKIFQSA-N 323.352 2.427 50 40 DEGB O=C(Cc1cc(O)n[nH]1)N/N=C/C(Cl)=C/c1ccccc1 548710 FBZXVLKGAAWMCE-UIGHHBECSA-N 304.737 2.040 50 40 DEGB CCOC(=O)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 21770296 HUJPIJKMLXQSSB-UHFFFAOYSA-N 301.346 2.438 50 40 DEGB O=[N+]([O-])c1ccc(N2[C@H](OO)c3ccccc3S2(=O)=O)cc1 59663164 WJLHLAPCANWUEY-CYBMUJFWSA-N 322.298 2.292 50 40 DEGB CC1=CC[C@H](/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)CC1 4132481 IDYORHSHBBQAJR-BGARDKSCSA-N 324.388 2.189 50 40 DEGB CC(=O)N/N=C(\C)c1cccc(I)c1 20248491 IJDGFMMJTRDYQC-KPKJPENVSA-N 302.115 2.151 50 40 DEGB Cc1cn(C)nc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253394173 APUZQXGYBPZEOV-ZDUSSCGKSA-N 312.373 2.179 50 40 DEGB Cc1cc(/C=N/NC(=O)c2cccs2)c(O)c([N+](=O)[O-])c1 569185 QPCPRIUTPZCIEE-VGOFMYFVSA-N 305.315 2.434 50 40 DEGB CN(CCC#N)c1ccc(/C=N/NC(=O)c2ccncc2)cc1 5393769 HILYBPFHVQWDJC-DEDYPNTBSA-N 307.357 2.195 50 40 DEGB O=C(COc1ccccc1Cl)NNC(=O)c1cccs1 569195 YTFLHPADZPLKFS-UHFFFAOYSA-N 310.762 2.242 50 40 DEGB Cc1n[nH]c2c1[C@H](c1ccc(Br)o1)C(C#N)=C(N)O2 6565210 FGVIYNLIAXCSBS-JTQLQIEISA-N 321.134 2.292 50 40 DEGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc(F)cc1 59378203 ZCUAKEKJFKAKLC-WOJGMQOQSA-N 317.320 2.019 50 40 DEGB CC[C@@H](C[C@@H](Br)C(=O)O)NC(=O)c1ccccc1 1677608 GGYHWMHDMJEGHN-WDEREUQCSA-N 314.179 2.433 50 40 DEGB Cc1ccc(S(=O)(=O)/N=C(\CCl)N2CCCC2)cc1 6030195 QSXMPFLYCOLFLP-FYWRMAATSA-N 300.811 2.417 50 40 DEGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(N)=O)o1 531639 HFJXUHZGCGGPSM-REZTVBANSA-N 321.720 2.389 50 40 DEGB COc1cccc(C(=O)N/N=C/c2cccc(OC)c2O)c1 5720971 QVXJXVQZDKTKJK-LICLKQGHSA-N 300.314 2.173 50 40 DEGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1cccc(O)c1)C2 8336797 SQBRYWMFCWLNDI-AWQFTUOYSA-N 323.396 2.475 50 40 DEGB CC(=O)Nc1ccc(N/C=C(\C#N)C(=O)NCc2ccco2)cc1 1911163 VLQWHOZAMCXGQE-JLHYYAGUSA-N 324.340 2.374 50 40 DEGB CN(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 33005 PMPPQIQYAXMCCE-GZTJUZNOSA-N 312.329 2.181 50 40 DEGB C=CCNC(=O)/C(C#N)=C/c1ccc(O)c(Br)c1 8429329 PRDLQYUBEYSDKL-UXBLZVDNSA-N 307.147 2.364 50 40 DEGB Cn1ncc2c1CCC/C2=N/NC(=O)NCCc1cccs1 98055383 WPTGLSBFWCZBQY-AQTBWJFISA-N 317.418 2.064 50 40 DEGB CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(C)o1 6539976 VZXNJZMOIFRZOR-YVLHZVERSA-N 315.329 2.076 50 40 DEGB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CCl 2633309 QOZAAOJVMDJPTE-UHFFFAOYSA-N 308.687 2.341 50 40 DEGB CCOC(=O)NNC(=O)C(C)(C)Oc1ccc(Cl)cc1 12977196 SJGYBSYUEDZASU-UHFFFAOYSA-N 300.742 2.275 50 40 DEGB CCOc1ccccc1/C=N\NC(=O)c1sc(N)nc1C 16852215 SDPBGLRCVHDWOR-PXNMLYILSA-N 304.375 2.196 50 40 DEGB C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)CBr 952958883 RTDLUHDCAKPYDB-RKDXNWHRSA-N 306.200 2.453 50 40 DEGB COc1c(C[C@@H]2CC(CCl)=NO2)cc2c(c1OC)OCO2 12418027 WHWZCHQKTJRXDM-SNVBAGLBSA-N 313.737 2.359 50 40 DEGB C[C@@]1(C(=O)O)c2[nH]c3ccccc3c2CCN1C(=O)CCl 4084137 SXJDKZJOZGOSBC-HNNXBMFYSA-N 306.749 2.091 50 40 DEGB biogenic C/C(=N\NC(=O)c1ccncc1)c1ccc(N2CCOCC2)cc1 5158559 OYNYPRJKNSKPBF-XSFVSMFZSA-N 324.384 2.072 50 40 DEGB O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1 5671177 KDAOHCFYBUSDRL-RQZCQDPDSA-N 317.732 2.134 50 40 DEGB COc1ccccc1OCC(=O)N/N=C1\CC(=O)CC(C)(C)C1 100015083 IFHWATWMIKSAOU-LDADJPATSA-N 318.373 2.325 50 40 DEGB N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 35337475 WEPAPFZTCWAFNL-IZZDOVSWSA-N 313.269 2.117 50 40 DEGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(N(C)C)o1 4357784 KUDQZGOEKXBCMG-LICLKQGHSA-N 301.346 2.183 50 40 DEGB CCOC(=O)NNC(=O)c1cnn(-c2cccc(C)c2)c1CC 32795753 CKAGCCVTVQDJJL-UHFFFAOYSA-N 316.361 2.134 50 40 DEGB C[C@@]12C(=O)OC(=O)[C@]1(O)C1c3ccccc3C2c2ccccc21 104336776 MWLJTSUZZPZBPF-NRERDWFFSA-N 306.317 2.098 50 40 DEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1ccc(F)cc1 2766289 CWCQWPKYFWPGOD-LZYBPNLTSA-N 303.249 2.203 50 40 DEGB C=CCOc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1 59471531 ZRQHRNMKQGEVFM-HNMKQIAWSA-N 310.353 2.435 50 40 DEGB O=C(NNc1nnc(-c2ccccc2)c(O)n1)C1CCCCC1 28616659 NUXSCLDTYDDPFB-UHFFFAOYSA-N 313.361 2.268 50 40 DEGB CCC1=C(C(=O)OC)[C@H](c2ccccc2F)C(C#N)=C(N)O1 4652855 GCINDLBJLCGTEK-CYBMUJFWSA-N 302.305 2.470 50 40 DEGB CCOC(=O)N1CCC(=NNC(=O)NC2CCCCC2)CC1 4966189 YCAACEHAHJMTOP-UHFFFAOYSA-N 310.398 2.227 50 40 DEGB COC(=O)[C@H]1C[C@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 71789930 YNHAMFHSZCNLPH-FQUUOJAGSA-N 324.218 2.443 50 40 DEGB Cc1cc(C)c2[nH]c(=O)c(/C=N/NC(=O)c3ccncc3)cc2c1 41074123 YRRPFSVSUMEANS-KEBDBYFISA-N 320.352 2.304 50 40 DEGB Cc1nc(C(=O)N/N=c2/sc3ccccc3n2C)cs1 102115616 QCGZPFJVQRWFFA-DTQAZKPQSA-N 304.400 2.250 50 40 DEGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc[nH]1 28462 LYEKOJPIZXBVII-FRKPEAEDSA-N 322.708 2.105 50 40 DEGB COc1ccc(/C=N/NC(=O)[C@@H](C)n2nnc3ccccc32)cc1 174585 QFCFXHRNPUCHLA-MBNTZHJCSA-N 323.356 2.151 50 40 DEGB COC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccccc1Cl 6664593 BOFHMGPCOQLMCI-NSHDSACASA-N 315.156 2.360 50 40 DEGB Cc1cccc(C)c1N(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 217380458 YSDTUBUJUDWZPX-GFCCVEGCSA-N 315.822 2.062 50 40 DEGB COc1ccc(C(=O)N/N=C\c2cc(OC)ccc2O)cc1 71782786 HIAWBIPOUXZYHB-YVLHZVERSA-N 300.314 2.173 50 40 DEGB COc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2)cc1 499046 USEXEMISCJGDJA-WOJGMQOQSA-N 314.341 2.233 50 40 DEGB COc1ccccc1C(=O)N/N=C(\C)c1ccc(O)cc1O 6374038 YDLKAZQWCKRFPJ-LICLKQGHSA-N 300.314 2.260 50 40 DEGB CC(C)N1CCC(=NNC(=O)c2ccc(N(C)C)cc2)CC1 55008607 JHRPVYQAWTVCMJ-UHFFFAOYSA-N 302.422 2.343 50 40 DEGB O=C1[C@@H](Br)C[C@H]2C[C@@H]1C[C@@H](Br)C2=O 100304409 ZTVHTPMZYCHYIA-GBNDHIKLSA-N 309.985 2.082 50 40 DEGB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NN)cc1 3193608 NMKUCMGBZHUCAI-UHFFFAOYSA-N 308.341 2.151 50 40 DEGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1cccs1 323983 FZAIOFSKFJHJOZ-UHFFFAOYSA-N 310.762 2.242 50 40 DEGB C=CCN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21 105017382 SCHIHXQTKDAIAU-MNDPQUGUSA-N 321.336 2.059 50 40 DEGB CCOC(=O)c1ccc(NC(=O)C(=O)NN=C(CC)CC)cc1 59434193 XJPQKQKQMRGGCC-UHFFFAOYSA-N 319.361 2.094 50 40 DEGB COc1ccc(OC)c(NC(=S)NNC(=O)CC(C)C)c1 2782652 YDFLIVJCXPMECC-UHFFFAOYSA-N 311.407 2.068 50 40 DEGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(C)c1O 27020631 LLJXNMOTWYGSIN-UJMHRVFCSA-N 300.358 2.211 50 40 DEGB O=C(CCl)N1CCS[C@@H]1COc1ccc([N+](=O)[O-])cc1 15022749 LXXYDEDVEUJUNW-GFCCVEGCSA-N 316.766 2.114 50 40 DEGB COc1ccc(/C(C)=N/NC(=O)CN2CCCCC2)cc1OC 4714607 NDHWYAPOKDURHR-QGOAFFKASA-N 319.405 2.030 50 40 DEGB N#Cc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 107887795 BAIBASYSKAWYEG-WQRHYEAKSA-N 308.297 2.159 50 40 DEGB Cc1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)[nH]n1 586768 XRZOEUIAVVQITK-UHFFFAOYSA-N 300.362 2.090 50 40 DEGB COc1ccnc(NNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)n1 56887397 VEGKUPFVHQJPBM-RKDXNWHRSA-N 318.299 2.297 50 40 DEGB Cc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1 5740383 WZHVKTQLJNVVMJ-UHFFFAOYSA-N 301.371 2.332 50 40 DEGB Cc1ccc(OCCCC(=O)NNC(=O)c2ccncc2)cc1 12921018 DBWWGXOMOYHQDX-UHFFFAOYSA-N 313.357 2.010 50 40 DEGB O=C(Cn1cncn1)NN(Cc1ccccc1)c1ccccc1 45327825 HDPFJOUVMDGXSC-UHFFFAOYSA-N 307.357 2.016 50 40 DEGB Cc1cc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)on1 14071015 XRZAOTPGJTZIMM-UHFFFAOYSA-N 301.346 2.355 50 40 DEGB O=C1OC(=O)[C@H]2[C@H]1[C@@H]1C=C[C@H]2C12C[C@H]2[C@@H]1CC(F)(F)C1(F)F 98001157 WILPAPVUDZVAGG-SRUXYZAMSA-N 316.250 2.415 50 40 DEGB CC1(CC(=O)N/N=C/c2c(F)cccc2Cl)OCCO1 237677 SKJQZRLOCWYASE-LZYBPNLTSA-N 300.717 2.082 50 40 DEGB O=C(Cc1ccc2ccccc2c1)NNC(=O)c1cccnc1 12853644 QCQXLKIBCDAWOC-UHFFFAOYSA-N 305.337 2.239 50 40 DEGB C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc2c(c1)OCCO2 5163697 UOFVHUPTNRTNSS-WOJGMQOQSA-N 312.325 2.317 50 40 DEGB COc1cccc(/C=N\NC(=O)Cc2cccs2)c1OC 13943702 QWLXQAHXPNYDPD-YBEGLDIGSA-N 304.371 2.458 50 40 DEGB Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)n1 32909618 OTSWDNOHPAQZFS-UHFFFAOYSA-N 322.324 2.120 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2)cc1[N+](=O)[O-] 4139756 NNPLRJKKNDRUAK-GZTJUZNOSA-N 312.329 2.425 50 40 DEGB COC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1cccnc1 20591930 JPNZTQUHKOHNTM-ZDUSSCGKSA-N 301.371 2.314 50 40 DEGB CC(C)(C)OC(=O)N1Cc2nn3c(O)cc(CCl)nc3c2C1 32918903 XXSNPHFMHHKYJT-UHFFFAOYSA-N 324.768 2.424 50 40 DEGB COc1c(C[C@H]2CC(CCl)=NO2)cc2c(c1OC)OCO2 12418029 WHWZCHQKTJRXDM-JTQLQIEISA-N 313.737 2.359 50 40 DEGB O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 3885231 WUWHVNVTWHWPPY-UHFFFAOYSA-N 316.810 2.039 50 40 DEGB CCNC(NCC)=C(C#N)S(=O)(=O)c1ccc(Cl)cc1 97103259 ABSWZTCPXMUMKF-UHFFFAOYSA-N 313.810 2.025 50 40 DEGB COc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 237123 CDTGJOUDKBMEER-RIYZIHGNSA-N 305.315 2.429 50 40 DEGB COC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)c(OC)c1 178267 IMTNPTJNVDVKCQ-CXUHLZMHSA-N 318.285 2.197 50 40 DEGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C/c1ccco1 5704261 YMYNTYGIYOEUEY-ANYFNZRUSA-N 318.304 2.047 50 40 DEGB CCOC(=O)C/C(C)=N\NC(=O)COc1ccc(C)c(C)c1 408956960 RXEXZVVQUJASEL-LGMDPLHJSA-N 306.362 2.128 50 40 DEGB N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1cccnc1 91284 SDFBUQUVDHTUSB-ZDUSSCGKSA-N 316.324 2.085 50 40 DEGB CC(=O)N[C@@H](C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1 3121994 RSDWCQRIWUKMEZ-LLVKDONJSA-N 310.202 2.035 50 40 DEGB CC/C(=N\NC(=O)CN1CCCCCC1=O)c1ccc(O)cc1 57674587 FENUDCJOJJPOPE-OBGWFSINSA-N 317.389 2.025 50 40 DEGB N#Cc1ccc(C(=O)NNC(=O)C2C3CC4CC(C3)CC2C4)cc1 61464586 CMVVPCGNIUNFDK-UHFFFAOYSA-N 323.396 2.392 50 40 DEGB COc1ccc(C(=O)N/N=C/c2cccc3c2OCCO3)cc1 58915946 FGVZIKPHVKRWGJ-WOJGMQOQSA-N 312.325 2.230 50 40 DEGB O=C(COc1cccc(Cl)c1)N/N=C/c1cc(O)ccc1O 3141782 XVGUNSRPGTUGRT-CAOOACKPSA-N 320.732 2.280 50 40 DEGB Cc1nn(C)cc1[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 19840812 QYGHQMGJZHOAKH-BBRMVZONSA-N 318.384 2.322 50 40 DEGB N#C/C(C(=O)CSCC(=O)O)=C1\Nc2ccccc2S1 16777185 KKQUGDIPMDKXQX-JYRVWZFOSA-N 306.368 2.326 50 40 DEGB C=CCN1C(=O)/C(=N/NC(=O)c2ccc(C)nc2)c2ccccc21 18105589 APZZJXPXTVEVJM-CAPFRKAQSA-N 320.352 2.057 50 40 DEGB Cc1cc(C)cc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c1 40177624 MCKQIKGFUMNSSM-GFCCVEGCSA-N 315.822 2.062 50 40 DEGB CCS(=O)(=O)[C@H](Br)[C@@H](O)c1ccccc1F 96519114 MMZGVBHBDSLANM-UWVGGRQHSA-N 311.172 2.015 50 40 DEGB COC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1cccnc1 20591932 JPNZTQUHKOHNTM-CYBMUJFWSA-N 301.371 2.314 50 40 DEGB COc1ccc(NC(=O)C(=O)NN=C2CCCCC2)c(OC)c1 59515790 DIPQKSOVODABQE-UHFFFAOYSA-N 319.361 2.079 50 40 DEGB COc1ccc(C(=O)/C=C/NNC(=O)c2ccccc2O)cc1 59381716 LKDBVJYCEZICAM-ZHACJKMWSA-N 312.325 2.032 50 40 DEGB Cc1ccccc1C(=O)NNC(=O)CC1(C(=O)O)CCCCC1 13250843 CHDUGSSCSVNZQS-UHFFFAOYSA-N 318.373 2.181 50 40 DEGB C=CCN1C(=O)/C(=N/NC(=O)c2ccc(O)cc2)c2ccccc21 44059765 SCHIHXQTKDAIAU-KNTRCKAVSA-N 321.336 2.059 50 40 DEGB N#C/C(=C\c1cc(Cl)ccc1O)C(=O)NC[C@H]1CCCO1 408735773 XJLVJGDFUWAWTK-ASJRZHAZSA-N 306.749 2.248 50 40 DEGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1 4525726 LFKBAYMHGVLGSG-LDADJPATSA-N 301.390 2.057 50 40 DEGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1 83326048 JOQREPWOHCHNEK-RKPNYOAGSA-N 317.301 2.152 50 40 DEGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1O 8112458 JGSJVHYZQJCWAW-YRIIZNAFSA-N 309.325 2.158 50 40 DEGB COc1ccc([C@H]2CC(=O)NC(SC)=C2C#N)cc1OC 83360 AXLNVMNQWAPYRU-SNVBAGLBSA-N 304.371 2.405 50 40 DEGB N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1ccncc1 91148 ZUMFCNJIBDRZHC-ZDUSSCGKSA-N 316.324 2.085 50 40 DEGB Cc1csc(SCC(=O)NNC(=O)c2cccs2)n1 5101398 BQBCUSFKVUXBHG-UHFFFAOYSA-N 313.429 2.066 50 40 DEGB CN(Cc1ccccc1I)C(=O)CCl 79420743 SQJFKGQDLUCRKO-UHFFFAOYSA-N 323.561 2.488 50 40 DEGB COc1ccccc1CNC(=O)NNC(=O)c1cc(C)oc1C 40477765 NUDVVCVJFCZMHI-UHFFFAOYSA-N 317.345 2.049 50 40 DEGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccccc1 13132705 NUENQCJWABJMEN-XSFVSMFZSA-N 309.369 2.151 50 40 DEGB O=C(CCC(=O)OC(CCl)CCl)NCc1ccccc1 7079545 HEKDKDMPBCHYQS-UHFFFAOYSA-N 318.200 2.472 50 40 DEGB COc1cccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)c1 408872904 KYOMRIPCRNVIGQ-XDHOZWIPSA-N 309.325 2.361 50 40 DEGB COc1cc(N2C[C@H](C(=O)Cl)CC2=O)c(OC)cc1Cl 45953056 WNARDOPHGPJKTD-SSDOTTSWSA-N 318.156 2.476 50 40 DEGB Cc1ccc(C(=O)NNC(=O)c2c(C)nc3ccccn23)c(C)c1 6549387 OFOQXANHAUFRKQ-UHFFFAOYSA-N 322.368 2.334 50 40 DEGB O=C(CCc1ccccc1)NNC(=O)Cn1ccc2ccccc21 4600187 HWPDRPSRIPIUON-UHFFFAOYSA-N 321.380 2.422 50 40 DEGB O=C(NNC(=O)C1CCC1)c1ccc(Br)s1 8421289 WJPDRHXJBPMJPP-UHFFFAOYSA-N 303.181 2.072 50 40 DEGB C/C(=N\NC(=O)c1n[nH]c(=O)c2ccccc12)c1cccs1 8045371 MMSLOMUYYDCRTM-CXUHLZMHSA-N 312.354 2.139 50 40 DEGB COc1ccc(/C=C(/C#N)C(=O)NCc2cccnc2)cc1OC 16790521 FYXASDLQZONLGV-NVNXTCNLSA-N 323.352 2.322 50 40 DEGB COc1cc(/C=C(/C#N)S(C)(=O)=O)cc(Cl)c1OC 96765752 BOSSTDOABBMRCK-WTKPLQERSA-N 301.751 2.266 50 40 DEGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(OC)c1OC 31719678 UMYPRUSGONOULG-WQRHYEAKSA-N 314.341 2.476 50 40 DEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C)o2)CC(=O)N1 278868 DVSIXBQUPHVGMB-SNVBAGLBSA-N 320.370 2.223 50 40 DEGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O 3091734 OMNQTRPYIUNCKU-QGMBQPNBSA-N 319.748 2.313 50 40 DEGB C/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccccc1O 4599185 HGXSSYPYLRMVJB-XDHOZWIPSA-N 308.341 2.282 50 40 DEGB Cc1nn(CC(=O)N/N=C/c2ccc(F)s2)cc1Cl 252499973 SKKPROYZUALZQC-LNKIKWGQSA-N 300.746 2.196 50 40 DEGB Cc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1 146460 OYTAZRPVNOJPFC-UHFFFAOYSA-N 318.760 2.488 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccccc1Cl 103106879 NVPKEGCZVXSNES-PBDTWZTKSA-N 304.733 2.222 50 40 DEGB O=C(NN=C1CCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885914 OWSBHRXKVKVYFD-UHFFFAOYSA-N 318.333 2.360 50 40 DEGB C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccco1 4965276 IBSFNUFZEOSTOU-LZYBPNLTSA-N 300.240 2.035 50 40 DEGB Cc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1 58551 FTAIGKUZSNXNKC-OVCLIPMQSA-N 319.342 2.494 50 40 DEGB CCOc1cc([C@H]2CC(=O)NC(SC)=C2C#N)ccc1O 278391 AQXLUIGUCPAAFU-SNVBAGLBSA-N 304.371 2.493 50 40 DEGB Cc1occc1C(=O)NNC(=O)c1ccc(Br)o1 358424 IYRPKNBECBVYIR-UHFFFAOYSA-N 313.107 2.018 50 40 DEGB Cc1cc(Cl)ccc1OCC(=O)NNC(=N)c1ccncc1 9871784 OYEOYUFOTXVUAK-UHFFFAOYSA-N 318.764 2.069 50 40 DEGB COC(=O)/C(C#N)=C/c1cc(Br)c(O)c(OC)c1 99982 XXWJAOMZVYOUKL-FPYGCLRLSA-N 312.119 2.243 50 40 DEGB O=C(N/N=C/c1cccc(O)c1)c1cccc(Cn2cccn2)c1 131646 MYLWDPYLJSHNLE-XDHOZWIPSA-N 320.352 2.401 50 40 DEGB O=C(/C=C/c1ccccc1Cl)NNC(=O)c1ccncc1 577854 ZSHPNFVVUOHQGZ-AATRIKPKSA-N 301.733 2.209 50 40 DEGB Cc1cccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c1 354598 TZSRLJULDBOQOK-VCHYOVAHSA-N 312.325 2.222 50 40 DEGB Cc1ccc(C(=O)NNC(=O)c2cccc(N(C)C)c2)cc1F 12553170 XMAPUBOTYVEFSF-UHFFFAOYSA-N 315.348 2.275 50 40 DEGB COc1ccc(Cl)cc1C(=O)NNC(=O)C1(C#N)CCCC1 44874736 IIKNYJDTBOWELT-UHFFFAOYSA-N 321.764 2.194 50 40 DEGB COc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1O 4544134 HRJNVKGFSWLKER-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB CCOC(=O)N/N=C/c1ccc(I)cc1 1712978 ZXOSEGKIKNEXNN-KPKJPENVSA-N 318.114 2.371 50 40 DEGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(N)=O)o2)cc1 370186 DVVDYKCAUKPUHX-RQZCQDPDSA-N 301.302 2.126 50 40 DEGB Cn1/c(=N\NC(=O)c2cn3ccccc3n2)sc2ccccc21 104923893 XIPYSVHRVVVESL-KNTRCKAVSA-N 323.381 2.133 50 40 DEGB Cc1cc(/C=N/NC(=O)CO)c(C)n1-c1ccc(Cl)cc1 4091542 YAHAQNAZNZSUSL-CAOOACKPSA-N 305.765 2.190 50 40 DEGB CC(C)(C)OC(=O)N1CCC([C@H](Br)C(=O)O)CC1 79031473 MWAVNAXTNZBACD-VIFPVBQESA-N 322.199 2.482 50 40 DEGB COC(=O)[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@H]2Br 100408624 YNHAMFHSZCNLPH-RFQIPJPRSA-N 324.218 2.443 50 40 DEGB C=CCOc1ccc(/C=C(\C#N)C(N)=O)cc1Br 408727789 XIHQQDDTQQGIPE-UXBLZVDNSA-N 307.147 2.406 50 40 DEGB COC(=O)[C@@H]1C[C@H]2CN(Cc3ccccc3)[C@H]1[C@@H]2Br 255004313 YNHAMFHSZCNLPH-REWJHTLYSA-N 324.218 2.443 50 40 DEGB Cc1ccc(C(=O)Cl)cc1N1C[C@@H](C(=O)Cl)CC1=O 100680216 OEJUUUWGNVHPCA-VIFPVBQESA-N 300.141 2.492 50 40 DEGB O=C(COc1ccccc1-c1ccccc1)NNC(=O)C1CC1 511462 DLTKXPNYNQVSKU-UHFFFAOYSA-N 310.353 2.290 50 40 DEGB CCNC(=S)NNC(=O)c1cc(-c2ccccc2)sc1N 2181034 AVLOOBXYWNJPBM-UHFFFAOYSA-N 320.443 2.126 50 40 DEGB O=C(Cn1nc2ccccc2n1)N/N=C/c1cccc(Cl)c1 5605100 LXLBIDTUXALFBL-RQZCQDPDSA-N 313.748 2.235 50 40 DEGB CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCN(C(=O)CCl)C1 79408911 NIPLWIMWHKBMKL-NSHDSACASA-N 302.802 2.226 50 40 DEGB CCN(C[C@H]1CCN(C(=O)CCl)C1)C(=O)OC(C)(C)C 79408833 QZRSMERCCORMNO-LLVKDONJSA-N 304.818 2.331 50 40 DEGB CCOc1ccc2c(c1)/C(=N/NC(=O)OC(C)(C)C)C(=O)N2 189104 ARMHUJODUHVNOX-UHFFFAOYSA-N 305.334 2.266 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1C 137823 BOPAVUBKLRFWIH-LZYBPNLTSA-N 317.301 2.334 50 40 DEGB Cc1occc1C(=O)NNC(=O)Cc1c(F)cccc1Cl 3441232 PWENQCXEQJWCTL-UHFFFAOYSA-N 310.712 2.384 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1 34198573 QKXFVMASMDJYEO-WOJGMQOQSA-N 312.325 2.230 50 40 DEGB N#C[C@H](C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 409198046 VRJJQMLPCDBCEI-SGPNVBEDSA-N 324.296 2.058 50 40 DEGB COc1ccc(CCC(=O)NNC(=O)c2cccs2)cc1 5880035 NBBSJCCIGCKRPS-UHFFFAOYSA-N 304.371 2.151 50 40 DEGB COc1ccc(C(=O)N/N=C/c2cccc(OC(C)=O)c2)cc1 408753583 GPJKOPBEKHDOAO-WOJGMQOQSA-N 312.325 2.384 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1OC 177524 HPMDZXFWFSCFSH-LICLKQGHSA-N 300.314 2.173 50 40 DEGB Cc1ccccc1C(=O)NNC(=O)c1cc(=O)c2ccccc2o1 12679917 RASSKMXMBWJMBN-UHFFFAOYSA-N 322.320 2.176 50 40 DEGB CNC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 4705172 KTZWPBHLJKVHFB-XYOKQWHBSA-N 324.296 2.435 50 40 DEGB N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1ccncc1 5819389 BSKDYZRKRZZVBD-MRVPVSSYSA-N 307.235 2.042 50 40 DEGB Cc1ccc(C)c(OCC(=O)N/N=C2/C(=O)Nc3ccccc32)c1 5968079 DNURPMIVZUSYAZ-UHFFFAOYSA-N 323.352 2.155 50 40 DEGB O=C(N/N=C\c1ccc(N2CCOCC2)cc1)c1cccs1 33424122 XITDYUNZAGZCPN-ATVHPVEESA-N 315.398 2.349 50 40 DEGB CC1=Nc2ccccc2[C@H](c2ccc(C)cc2)N1CC(=O)NN 97165234 DZQVVGPXGHYBGY-SFHVURJKSA-N 308.385 2.440 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 252773 KGVJIKJNVBHWDT-GZTJUZNOSA-N 312.329 2.425 50 40 DEGB O=C(Cl)CC(=O)Nc1ccccc1I 100645650 WAVYRYSABWCCJI-UHFFFAOYSA-N 323.517 2.385 50 40 DEGB C[C@@]12C(=O)OC(=O)[C@@]1(O)C1c3ccccc3C2c2ccccc21 104336766 MWLJTSUZZPZBPF-FUICEZJUSA-N 306.317 2.098 50 40 DEGB COC(=O)CS[C@@H](C)C(=O)C(C#N)=C1Nc2ccccc2N1 24226614 PADAEVGFCUWZMQ-VIFPVBQESA-N 317.370 2.123 50 40 DEGB CC(C)(C)OC(=O)NNC(=O)c1cncc(Br)c1 7814881 MUEOAXWNHLNHSG-UHFFFAOYSA-N 316.155 2.014 50 40 DEGB COC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 9329463 PIBTXVLNPZHGRE-NSHDSACASA-N 320.345 2.071 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c(O)c1 409392558 QQYUDCBHUCZJGE-WOJGMQOQSA-N 313.357 2.231 50 40 DEGB N#CC(C#N)=C(N)[C@@]1(C#N)O[C@H]1c1cccc(Br)c1 66088275 LOFBBQITUVMILL-QWHCGFSZSA-N 315.130 2.043 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)c(OC)c1 8207425 WMZKATIMBXHHMT-YBFXNURJSA-N 309.325 2.339 50 40 DEGB CCCCSCC(=O)NNC(=O)c1c[nH]c2ccccc12 24653795 FWCQMRBMKZNZDZ-UHFFFAOYSA-N 305.403 2.462 50 40 DEGB O=C(NNC(=O)[C@@H]1CCCO1)C(c1ccccc1)c1ccccc1 378990 HQXQPNVDGAWILF-INIZCTEOSA-N 324.380 2.145 50 40 DEGB Nc1ncnc(O[C@H]2C=CC(Cl)=C[C@@H]2Cl)c1[N+](=O)[O-] 26802703 QNDFVQOPPDCPKK-BQBZGAKWSA-N 303.105 2.014 50 40 DEGB CC(C)O/C=C/[C@@H](C)[C@@]1(C#N)C(N)=C(C=O)[C@@H](C)C1(C#N)C#N 20790400 VCSVNOWZBQTMRK-OEOFARNGSA-N 312.373 2.166 50 40 DEGB CCS(=O)(=O)[C@@H](Br)C(=O)c1ccccc1C 96517890 FQXIBPMCZHZAID-LLVKDONJSA-N 305.193 2.333 50 40 DEGB C/C(CC(=O)NCc1ccc(F)cc1)=N\NC(=O)c1ccco1 101444302 PLEZBSMFTNUIEG-YBFXNURJSA-N 317.320 2.231 50 40 DEGB CCc1ccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1 40177598 XXZUANJQYJQSHH-CYBMUJFWSA-N 315.822 2.008 50 40 DEGB CC[C@@H](C(=O)NN)N1c2cc(OC)ccc2C(C)=CC1(C)C 223202023 DTCLNQHBILOIMU-AWEZNQCLSA-N 303.406 2.466 50 40 DEGB CCCCOC(=O)CN1C(=O)C(=C(C#N)C#N)c2ccccc21 4571229 MZVRKKAYCHOFLX-UHFFFAOYSA-N 309.325 2.177 50 40 DEGB N#CCC(=O)N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl 408728777 TZDRHHSTDBFVBS-FRKPEAEDSA-N 317.692 2.160 50 40 DEGB O=C(NNC(=O)C1CC1)c1ccc(COc2ccccc2)o1 15794019 JEMKLYCOBHXCKB-UHFFFAOYSA-N 300.314 2.030 50 40 DEGB C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc(O)cc1O 100045819 AIYVSBNBSWVZPW-LDADJPATSA-N 314.341 2.325 50 40 DEGB O=C(N/N=C/c1ccccc1F)C(=O)NC1CCCCCC1 409005305 HMXHLUZPIYSUNX-WOJGMQOQSA-N 305.353 2.115 50 40 DEGB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=N)CSS(=O)(=O)O)C2 95753958 AKFGKNDBVKJPBX-YGOYTEALSA-N 306.453 2.304 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)CN(C)c2ccccc2)cc1 33001 COKTWODAKCFPAW-CPNJWEJPSA-N 310.401 2.339 50 40 DEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1 20219035 WOHNISVLVOSZRX-HIFRSBDPSA-N 321.409 2.103 50 40 DEGB C/C(=N/NC(=O)c1ccccc1)C1C(=O)c2ccccc2C1=O 100840905 BVUDRKASGXNRHW-ODLFYWEKSA-N 306.321 2.488 50 40 DEGB C/C(CC(=O)c1cccnc1)=N/NC(=O)c1cccc(C)c1O 101156064 WOVDBDDEDHCTPF-UNOMPAQXSA-N 311.341 2.474 50 40 DEGB CCC(=O)NNc1ncnc2c1cnn2-c1ccc(C)c(C)c1 7393245 FMWOEBJCPACOJJ-UHFFFAOYSA-N 310.361 2.285 50 40 DEGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccccc1 100150029 RNRWNAPKLAJQPS-QUYZQLMHSA-N 320.352 2.441 50 40 DEGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 58990 DDKHQYVDVOTBTA-FRKPEAEDSA-N 304.693 2.407 50 40 DEGB CCc1ccccc1OCC(=O)N/N=C(\C)c1nn(C)cc1C 328398 QQNDEKAJQKSWPE-QGOAFFKASA-N 314.389 2.210 50 40 DEGB C[C@]1(CBr)[C@@H]2CC[C@]1(CBr)C(=O)C2=O 100746567 VVGZRNFSODSHMS-UASFKTIASA-N 324.012 2.331 50 40 DEGB Cn1cc(C(=O)NNC(=O)CCc2ccco2)c2ccccc21 22190846 JZEXMOAVKWRCGA-UHFFFAOYSA-N 311.341 2.165 50 40 DEGB CC(NNC(=O)c1ccccc1)=C1C(=O)c2ccccc2C1=O 100942482 XJZCDBOSFMFDEL-UHFFFAOYSA-N 306.321 2.274 50 40 DEGB Cn1cccc1CC(=O)NNC(=S)Nc1ccc(Cl)cc1 8692007 IFTBXUTUODBMNX-UHFFFAOYSA-N 322.821 2.239 50 40 DEGB O=C(CCCc1ccc(O)cc1)N/N=C/c1ccc(O)cc1O 6241868 ZVVJERVYLKTIQL-WOJGMQOQSA-N 314.341 2.276 50 40 DEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(C)cc1 166045 ICNMKNLQZOXNOM-ZDUSSCGKSA-N 308.765 2.405 50 40 DEGB COc1ccc(N[C@H]2SC(=O)N(CCCl)C2=O)cc1 36626574 FUGFQCKLOFGBKO-JTQLQIEISA-N 300.767 2.367 50 40 DEGB COC(=O)/C=C1\CCCCCN1C(=O)[C@@H](C)Br 96528487 FWVRAWRUNBLIFL-NCXKZPMSSA-N 304.184 2.229 50 40 DEGB O=C(NNC(=S)NCCc1ccccc1)c1cccs1 2783543 MIXYNOOKBQLLGJ-UHFFFAOYSA-N 305.428 2.100 50 40 DEGB CC(C)OC(=O)COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1 409187465 QSGLLYCGXJBNHZ-ZROIWOOFSA-N 316.357 2.012 50 40 DEGB COc1ccc2oc(=O)c(C(=O)NC3=C(C#N)CCC3)cc2c1 4263113 PMIOIHDIHAFROI-UHFFFAOYSA-N 310.309 2.493 50 40 DEGB O=C(N/N=C/c1ccccc1Cl)C(=O)N1CCCCCC1 59459692 QDDPAHYLPMEHDE-GZTJUZNOSA-N 307.781 2.193 50 40 DEGB CN1C(=O)/C(=C(/C#N)C(=O)NCc2ccccc2)c2ccccc21 59145955 DUCRJNDZIOCXSC-ICFOKQHNSA-N 317.348 2.257 50 40 DEGB CCOC(=O)NNC(=O)c1cc(C2CC2)nn1-c1ccccc1 12917741 YRSQWFUNQIAFMV-UHFFFAOYSA-N 314.345 2.141 50 40 DEGB N#C/C(=C/c1ccc(I)o1)C(N)=S 408541875 FHYWXJZEIMXIGI-HYXAFXHYSA-N 304.112 2.077 50 40 DEGB O=C(Cc1nc(-c2ccccc2)n[nH]1)N/N=C/c1ccccc1F 408733458 XVBIQDRRODKYGV-YBFXNURJSA-N 323.331 2.304 50 40 DEGB CNC(=O)/C(C#N)=C\c1ccc(Br)c([N+](=O)[O-])c1 4703709 WCVFKZHHQXRXBM-YWEYNIOJSA-N 310.107 2.010 50 40 DEGB Cc1cc(O)cc(O)c1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 32045 VOBVWLRKZDGUNN-LZYBPNLTSA-N 315.285 2.078 50 40 DEGB COc1ccccc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1 254108 IBSHGXAOVXFKDM-WOJGMQOQSA-N 311.341 2.418 50 40 DEGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(Cl)ccc1O 196787 DOSXKMIVDBPRIG-MKMNVTDBSA-N 309.665 2.311 50 40 DEGB CC[C@H](C[C@H](Br)C(=O)O)NC(=O)c1ccccc1 1677607 GGYHWMHDMJEGHN-MNOVXSKESA-N 314.179 2.433 50 40 DEGB O=C(N/N=C/c1ccncc1)c1ccc(Cl)c([N+](=O)[O-])c1 58840225 AOMYAZPDJHIHRA-LZYBPNLTSA-N 304.693 2.407 50 40 DEGB COC(=O)N1[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]21 101042550 RUAPYDZHXLSHCZ-PZPICRRYSA-N 312.989 2.126 50 40 DEGB O=C(CCC(=O)NN=C(C1CC1)C1CC1)NCc1ccccc1 4523928 PJAKHDYBZGJQPE-UHFFFAOYSA-N 313.401 2.375 50 40 DEGB O=C(CCl)Nc1ncnc2c1C(=O)C[C@@H](c1ccco1)C2 408712728 LLUUTOJLBRSIMG-QMMMGPOBSA-N 305.721 2.160 50 40 DEGB CCOC(=O)CSC1=C(C#N)[C@@H](C)C2=C(CCCC2=O)N1 100560259 OWOPSUMVURRAJU-SECBINFHSA-N 306.387 2.264 50 40 DEGB O=C(C=C(C1CC1)C1CC1)NNC(=O)c1ccc(Cl)nc1 58382514 MYDHGDGSSXWWEP-UHFFFAOYSA-N 305.765 2.242 50 40 DEGB Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(F)cc2)c1 4544262 HPQSKQFNGOAMPV-KEBDBYFISA-N 313.332 2.014 50 40 DEGB CC(C)CC[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccco1 1798165 RXZMAFRMWFUFHL-NEPJUHHUSA-N 324.377 2.204 50 40 DEGB CCCc1cc(C(=O)NNC(=O)c2cccnc2)sc1C 14186664 SPARCWZTVUOSJY-UHFFFAOYSA-N 303.387 2.479 50 40 DEGB Cc1ccc(-c2nc(C)c(C(=O)NNC(=O)C3CC3)s2)o1 31210566 UWCCZICHWJQMCQ-UHFFFAOYSA-N 305.359 2.191 50 40 DEGB COc1ccc(NC(=O)C(=O)NN=C2CCCCCC2)cc1 59515840 IKGLUCGJELVYFH-UHFFFAOYSA-N 303.362 2.460 50 40 DEGB Cc1cc[n+](CC(=O)Nc2ccc(NC(=O)CCl)cc2)cc1 36108765 JQCVDOGKNAZAOM-UHFFFAOYSA-O 318.784 2.099 50 40 DEGB COc1ccc(-c2nn(CCC#N)cc2/C=C(/C#N)C(=O)O)cc1 12504719 ODANNFBJNWJEGE-LCYFTJDESA-N 322.324 2.464 50 40 DEGB COc1ccc(O)c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1 252766 GZAVJTJDODZJBN-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB CC(C)c1ccc(OCC(=O)NNC(=O)c2ccncc2)cc1 569249 VYIXNSRGKPMBIC-UHFFFAOYSA-N 313.357 2.045 50 40 DEGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccccc1 585577 MYLVQIIAGLNNPD-UHFFFAOYSA-N 304.733 2.180 50 40 DEGB Cc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)o1 4363550 GHEZUPRJPMJKHE-UHFFFAOYSA-N 302.252 2.392 50 40 DEGB COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3n2)cc1 2628442 DPEVPOFLXITBAE-UHFFFAOYSA-N 321.336 2.318 50 40 DEGB COC(=O)c1ccc2c(c1)NN(C)[C@H]2I 514267286 LOZVQSYRNDNUEC-SECBINFHSA-N 318.114 2.179 50 40 DEGB Cc1cccc(NCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c1 5337792 AIMHLVMHEHOXEE-PXNMLYILSA-N 302.290 2.058 50 40 DEGB CC(C)(Oc1ccc(Cl)cc1Br)C(=O)NN 202647679 CSBDHOXGOKTGRY-UHFFFAOYSA-N 307.575 2.250 50 40 DEGB CCCC[C@@H](CCC(=O)NNC(=O)Cc1ccccc1)C(=O)O 4350170 OILSVLBOXFOZHH-AWEZNQCLSA-N 320.389 2.048 50 40 DEGB C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)Cc1ccccc1 4844261 KQDKTWSVSWCXBR-RCCKNPSSSA-N 323.396 2.080 50 40 DEGB CN(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)CCl)C1 79411835 BWUSTUACADGPNR-CQSZACIVSA-N 324.808 2.485 50 40 DEGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(F)F 3218736 QAWULYVFADAWJL-DJKKODMXSA-N 321.283 2.456 50 40 DEGB COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1CBr 2599130 OZTMRDHUKBJZEB-UHFFFAOYSA-N 319.067 2.185 50 40 DEGB CCc1ccc(C(=O)NNC(=O)c2cc(-c3ccco3)n[nH]2)cc1 246873 LZZJMSHIGKYYSE-UHFFFAOYSA-N 324.340 2.307 50 40 DEGB CC1(C)C(=O)[C@]2(Br)CC[C@]1(C=O)[C@@H]2Br 103708430 BHBBKYJAFTZJJA-JUWDTYFHSA-N 324.012 2.472 50 40 DEGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1C 408786482 QTMLYBSVZBPLLW-CXUHLZMHSA-N 300.318 2.314 50 40 DEGB CCOC(=O)NNC(=O)c1ccccc1C(=O)c1ccccc1 15425149 VJCVZRCMVPOVRM-UHFFFAOYSA-N 312.325 2.309 50 40 DEGB CC[C@@H]1S/C(=C(\C#N)C(N)=O)N(c2ccc(C)cc2)C1=O 2344016 YBCYXVZSJVPGHI-YGRGUWMTSA-N 301.371 2.074 50 40 DEGB N#CC1=C(N)n2ncnc2N[C@H]1c1ccc(Cl)c(Cl)c1 18199164 BZCLEGNWUFSGDS-JTQLQIEISA-N 307.144 2.403 50 40 DEGB CCOC(=O)N/N=C\c1cccc(I)c1 31687248 HUAVQDNVDVWJIC-GHXNOFRVSA-N 318.114 2.371 50 40 DEGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccncc1 59275 ZGYIVUXGPBUCOW-RQZCQDPDSA-N 312.354 2.465 50 40 DEGB COc1cccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c1O 409206803 LOBGOGWTUPWAMF-HIPSJFSSSA-N 309.325 2.158 50 40 DEGB Nc1c(C(=O)N/N=C/c2cccc(F)c2)c(=O)[nH]c2ccccc12 35875869 QTBXAAQTLHNRCY-AWQFTUOYSA-N 324.315 2.013 50 40 DEGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccccn2)cc1 59516103 JCBOIHVBPMMNNF-YBFXNURJSA-N 310.357 2.294 50 40 DEGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)N1CCOCC1 408605111 WWEWUKCOVUFFAB-RVDMUPIBSA-N 300.358 2.240 50 40 DEGB COC(=O)c1ccc(/C=N\NC(=O)Cc2cccs2)cc1 31841410 HBTDCFATXVRDHI-YBEGLDIGSA-N 302.355 2.228 50 40 DEGB O=C(N/N=C/c1ccncc1)c1cc(Br)ccc1O 255782 WUWQGIPCWJZEME-LZYBPNLTSA-N 320.146 2.314 50 40 DEGB COc1ccc([C@@H]2NN(c3nc(C)cc(C)n3)C(O)=C2C#N)cc1 14162621 UCTSGXPIGQUCCJ-HNNXBMFYSA-N 323.356 2.461 50 40 DEGB Cc1ccccc1CSCC(=O)NN=C1CCN(C)CC1 57294223 MKLFCFUTJITABK-UHFFFAOYSA-N 305.447 2.426 50 40 DEGB C[C@](O)(CI)C(=O)/C=C/c1ccccc1 3764829 MIETXCQIRCOGQO-GUOLPTJISA-N 316.138 2.455 50 40 DEGB COc1cc(C(=O)NNC(=O)c2cccs2)cc(OC)c1C 6790326 QZMLQFKYGIFTBZ-UHFFFAOYSA-N 320.370 2.149 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 247307 RYUNQHHJJDVMAO-IDJPSDCMSA-N 300.358 2.206 50 40 DEGB CCOc1ccc(CC(=O)N/N=C\c2ccc(O)c(O)c2)cc1 408711852 NLGPJWIETBKGFA-WQRHYEAKSA-N 314.341 2.189 50 40 DEGB COc1ccc(OC)c(/C=N/NC(=O)c2ccc(C#N)cc2)c1 408737790 XPKPFCYWGMQOTE-YBFXNURJSA-N 309.325 2.339 50 40 DEGB O=C(N/N=C\c1cccnc1)c1cc(-c2ccc(F)cc2)n[nH]1 33295277 SGOWRTWLTMZPGR-GRSHGNNSSA-N 309.304 2.375 50 40 DEGB NC(=O)N/N=C1\C[C@@H]2c3ccccc3CCN2C2=C1C(=O)CCC2 12657705 GRBGPQJLOIFVKS-OOWUWCJESA-N 324.384 2.021 50 40 DEGB biogenic C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1c(O)cccc1O 102334145 DZCQGDCUEFLBQN-CXUHLZMHSA-N 315.285 2.160 50 40 DEGB O=C(O[C@@H](Cl)C(Cl)(Cl)Cl)ON1C(=O)CCC1=O 100080936 NZLNRXJWZWZVSG-RXMQYKEDSA-N 324.931 2.139 50 40 DEGB O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccs1 586881 AYDYTQVRTWKSCL-RIYZIHGNSA-N 305.315 2.185 50 40 DEGB CCS(=O)(=O)[C@@H](Br)C(=O)c1cccc(F)c1 96517888 GYMGMBATDWPXQR-SNVBAGLBSA-N 309.156 2.164 50 40 DEGB CN(C)/C=C(\C#N)S(=O)(=O)c1ccc(Br)s1 96511677 BVESGTNGPKQOBZ-VOTSOKGWSA-N 321.221 2.211 50 40 DEGB COc1cccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)c1O 313721 JIWQQBRZVZLNEV-YCPFAOKUSA-N 314.341 2.239 50 40 DEGB CS(=O)(=O)/C(C#N)=C/c1ccc(Br)cc1F 7714157 BDWFOKLPGINRNH-RUDMXATFSA-N 304.140 2.497 50 40 DEGB COc1ccc(/C=N/NC(=O)c2cccc(C)c2)cc1C(=O)O 59484953 UHZHBVNTPIYLFN-VCHYOVAHSA-N 312.325 2.466 50 40 DEGB N#C/C(=C1\C(=O)Nc2ccccc21)c1nnc2n1CCCCC2 12618983 KGGCLWOPSZLNFI-NTCAYCPXSA-N 305.341 2.391 50 40 DEGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1O 15938769 HBZWUIFVFWLASJ-GZTJUZNOSA-N 313.313 2.383 50 40 DEGB COc1cccc(/C=N/NC(=O)CN2Cc3ccccc3C2)c1 409204998 FDICJLRUWORCNY-VXLYETTFSA-N 309.369 2.161 50 40 DEGB CC(=O)N/N=C/c1cc(Br)c(Br)o1 408955634 XWMKAZRSAUMSFV-XCVCLJGOSA-N 309.945 2.275 50 40 DEGB O=[P@]1(NCCBr)OCCCN1CCCl 100826886 ZJVAVRRLTFVZIP-CQSZACIVSA-N 305.540 2.040 50 40 DEGB CC(C)Sc1nc(O)cc(NC(=O)N(CCCl)N=O)n1 8652729 HEFIQVHHUUMFLE-UHFFFAOYSA-N 319.774 2.437 50 40 DEGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)NC1CC1 53919419 UWSNWNOMKGCWFP-UHFFFAOYSA-N 316.386 2.225 50 40 DEGB CC(C)C(=O)Nc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)cc1 45953818 WRNLWACEZLZWIC-JTQLQIEISA-N 308.765 2.399 50 40 DEGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC#N 16438112 UXDPXQCZQQHLNN-GXDHUFHOSA-N 311.341 2.127 50 40 DEGB COc1cccc(CC(=O)NNC(=O)c2ccc(Cl)cc2)c1 8944236 NDSRUMJMJHVQRJ-UHFFFAOYSA-N 318.760 2.352 50 40 DEGB CCc1ccccc1OCC(=O)NNC(=O)c1ccccc1F 2726381 NDWMUQMQAUIVEV-UHFFFAOYSA-N 316.332 2.228 50 40 DEGB O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1ccc[nH]1 6991192 LWELRROBJUYCLZ-UHFFFAOYSA-N 303.387 2.420 50 40 DEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)[nH]c2C)n1 21909144 HIOVBGABHKWNSR-FRKPEAEDSA-N 317.418 2.281 50 40 DEGB C#CCOc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1 408567883 QAJMTRLHYWQPLH-PDGQHHTCSA-N 323.308 2.371 50 40 DEGB CC(C)C(=O)Nc1ccc(N2C[C@H](C(=O)Cl)CC2=O)cc1 45953816 WRNLWACEZLZWIC-SNVBAGLBSA-N 308.765 2.399 50 40 DEGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C\c1ccccn1)C2 8336806 KKUFWASFULXFQR-UKWGHVSLSA-N 308.385 2.164 50 40 DEGB CC1(C)[C@]2(C(=O)N/N=C/c3ccc(O)cc3)CC[C@]1(C)[C@@H](O)C2 100867360 BUACLTUPCYMJFI-OBVJFRHUSA-N 316.401 2.420 50 40 DEGB O=C(O)c1ccccc1N[C@@H]1SC(=O)N(CCCl)C1=O 12113034 MIRMPTOVHQDWFA-SECBINFHSA-N 314.750 2.057 50 40 DEGB CO[C@H](C(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1 59366776 PNYQLXDTNRSSMH-VUVCFOEZSA-N 313.313 2.433 50 40 DEGB CN1C(=O)S[C@@H](Cc2ccc(NC(=O)CCl)cc2)C1=O 4089211 DOYABSPVFGHMIW-JTQLQIEISA-N 312.778 2.100 50 40 DEGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1O 4499293 XYSHENRZOPBCEG-CXUHLZMHSA-N 315.285 2.160 50 40 DEGB C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccccc1 4965131 SVOAGFUJDDYFLH-VCHYOVAHSA-N 310.279 2.442 50 40 DEGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OC 33417873 NTKQEJBPSKYVNR-SDQBBNPISA-N 304.346 2.144 50 40 DEGB COc1ccc(/C=N/NC(=O)COc2ccccc2C#N)cc1 3149918 YLEIBQGUGPYVKN-YBFXNURJSA-N 309.325 2.096 50 40 DEGB C[C@@]1(CBr)[C@H]2CC[C@]1(CBr)C(=O)C2=O 4228147 VVGZRNFSODSHMS-QUNWWBBNSA-N 324.012 2.331 50 40 DEGB CC(C)(C)OC(=O)NN(CC(=O)OCc1ccccc1)N=O 5374383 PCGFKLWVDJPGLR-UHFFFAOYSA-N 309.322 2.153 50 40 DEGB CC(=O)N[C@H](NC(=O)c1ccc(Cl)cc1)C(Cl)Cl 245684 NMQMWQSBSXRROK-SNVBAGLBSA-N 309.580 2.336 50 40 DEGB Cc1cc2c(cc1C)N(C(=O)CCl)CCN2C(=O)CCl 4896321 DJZBOSUPODEIAK-UHFFFAOYSA-N 315.200 2.461 50 40 DEGB COc1ccccc1C(=O)N/N=C/c1cccc(OC)c1OC 5721176 OETPZZLRMWSYQQ-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB CN(C)c1ccc([C@@H](C#N)NNC(=O)Cc2ccccc2)cc1 5549652 QFOJYTRVAZKGRO-QGZVFWFLSA-N 308.385 2.181 50 40 DEGB CCOc1ccc(OCC(=O)NNc2nc(C)cc(C)n2)cc1 12779611 CDLZBPZHCMFNOC-UHFFFAOYSA-N 316.361 2.014 50 40 DEGB C[C@H]1CCCC/C1=N/NC(=O)C(=O)N/N=C1/CCCC[C@@H]1C 39343170 WVRUHNLWNOOWEC-CSMUHAIISA-N 306.410 2.351 50 40 DEGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1O 8112464 JGSJVHYZQJCWAW-HIPSJFSSSA-N 309.325 2.158 50 40 DEGB COc1cccc(/C=N/NC(=O)[C@@H](C)n2nnc3ccccc32)c1 174574 JVOULMFUMCDDMV-MBNTZHJCSA-N 323.356 2.151 50 40 DEGB C/C(=N\NC(=O)COc1ccc(F)cc1)c1ccc(O)cc1 57420930 XCQOCJYITCDKJI-WOJGMQOQSA-N 302.305 2.451 50 40 DEGB O=C(CN1CCCCCC1=O)NN=C1C2CC3CC(C2)CC1C3 46590797 TZVKROTVRSYULL-UHFFFAOYSA-N 317.433 2.317 50 40 DEGB O=C(O)COc1ccccc1/C=N/NC(=O)c1ccc(F)cc1 3287207 VEHJAWWDCMVFFW-GIJQJNRQSA-N 316.288 2.053 50 40 DEGB N#C[C@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 409194384 KOENJGCOTDAVSW-LZNAANCOSA-N 308.297 2.352 50 40 DEGB CCN(CC)c1ccc(/C=N\NC(=O)Cn2ccnc2C)cc1 33326064 BSICNBWCFOIKEA-UNOMPAQXSA-N 313.405 2.188 50 40 DEGB COc1ccc(CC(=O)N/N=C/c2ccc(N(C)C)o2)cc1 223488306 CGDAGYAJJKLDLW-GZTJUZNOSA-N 301.346 2.047 50 40 DEGB O=C(N/N=C/c1ccco1)C(=O)Nc1ccc(F)c(Cl)c1 2417972 CFINHEKBEKKXDW-FRKPEAEDSA-N 309.684 2.161 50 40 DEGB COCC(=O)N/N=C(\C)CC(=O)Nc1c(C)cc(C)cc1C 4565009 UBQREJWNIYZMGD-QGOAFFKASA-N 305.378 2.079 50 40 DEGB O=C(COc1ccccc1Cl)N/N=C/c1ccc([N+](=O)[O-])o1 566485 DYLKLGFLAGFVIJ-VIZOYTHASA-N 323.692 2.370 50 40 DEGB COc1cc(/C=N\NC(=O)CCc2ccc(O)cc2)ccc1O 35984757 ZVAVLZGHCIHELY-WQRHYEAKSA-N 314.341 2.189 50 40 DEGB CCCCCCCC(=O)NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100943760 MDVHGOHQCHRPDE-VIRABCJISA-N 322.405 2.017 50 40 DEGB Cc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)cc1 409359357 IXPXDJTWCSZCGH-YVLHZVERSA-N 313.313 2.302 50 40 DEGB Cc1ccc2[nH]c(=O)c(CC(=O)NN)c(-c3ccccc3)c2c1 8913885 JCXGJJZFNOOOGL-UHFFFAOYSA-N 307.353 2.036 50 40 DEGB C[C@H](NC(=O)C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1 3009178 HTQJSJBVNYSSPS-MKFNJMOCSA-N 313.332 2.153 50 40 DEGB CCCC(=O)NNC(=O)CCC(=O)Nc1ccccc1Cl 4698657 CAIZRUAIMDUBBF-UHFFFAOYSA-N 311.769 2.006 50 40 DEGB O=C(N/N=C1\CCc2ccccc21)[C@H]1COc2ccccc2O1 5164221 ABAMQGNQRUWWAT-GMYFBSLISA-N 308.337 2.293 50 40 DEGB COc1ccc(OCC(=O)N/N=C/c2ccc(F)cc2)cc1 1449728 AZCOIJBJLRXBOD-VCHYOVAHSA-N 302.305 2.363 50 40 DEGB N#CC(C(=O)CSc1nncs1)=C1Nc2ccccc2N1 3413541 DUUKKIBXMLKCNW-UHFFFAOYSA-N 315.383 2.472 50 40 DEGB COc1ccc(CC(=O)NNC(=O)CCc2ccccc2)cc1 143443 FTDXYPGTKJDOBM-UHFFFAOYSA-N 312.369 2.018 50 40 DEGB O=C(N/N=C/c1c(F)cccc1Cl)c1cc(O)c(O)c(O)c1 2741880 BEHCRHWSZCVSIV-UBKPWBPPSA-N 324.695 2.360 50 40 DEGB C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc(O)cc1O 12475169 NEQPWDFXEDYUJM-VXLYETTFSA-N 324.340 2.208 50 40 DEGB CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)c(OCC)c1 35657519 GURAIFGNYDBEGW-KPKJPENVSA-N 319.313 2.019 50 40 DEGB CC[C@@H](C(=O)NN)N1c2c(OC)cccc2C(C)=CC1(C)C 223202304 GWIODWOTBVWUKA-ZDUSSCGKSA-N 303.406 2.466 50 40 DEGB N#C/C(=C/c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)C(N)=O 252500557 SXRLOPPTXBWCQK-UITAMQMPSA-N 301.233 2.386 50 40 DEGB C/C(=N/NC(=O)c1cnccn1)c1ccc(Br)cc1 19835425 JOBWOZFBCJKAEJ-MFOYZWKCSA-N 319.162 2.393 50 40 DEGB CC1(C)O[C@@H]2O[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O1 202302309 XLBBARZYTMCVNR-USZNOCQGSA-N 302.443 2.452 50 40 DEGB CCOc1cc(/C=N/NC(=O)c2cccc(O)c2)ccc1O 70021 LSJAWKJMBWRVIJ-LICLKQGHSA-N 300.314 2.260 50 40 DEGB CCNC(=O)C/C(C)=N/NC(=O)C12CC3CC(CC(C3)C1)C2 4713755 KXEJPTXAXGVTIG-YBFXNURJSA-N 305.422 2.221 50 40 DEGB Cn1cccc1CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 351629 SWUVMJJLSIZZLF-CXUHLZMHSA-N 320.736 2.280 50 40 DEGB CCc1ccc(C(=O)NNC(=O)c2cn3ccc(C)cc3n2)cc1 12601545 MILZLBBYJXQGGH-UHFFFAOYSA-N 322.368 2.280 50 40 DEGB CC1CCC(=NNC(=O)c2csc(N3CCOCC3)n2)CC1 8498994 IUEQBLMBKMGJKV-UHFFFAOYSA-N 322.434 2.276 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)NCc2ccncc2)cc1OC 6569470 PUAKUIXISJDDJE-OQLLNIDSSA-N 323.352 2.322 50 40 DEGB CC(C)NC(=O)CC(=O)N/N=C/c1ccccc1C(F)(F)F 5481831 ZKXASUTYFJEYCI-QGMBQPNBSA-N 315.295 2.070 50 40 DEGB O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)NC1CCCCC1 16134347 AJNVNUPZEJWGIW-CABCVRRESA-N 301.390 2.453 50 40 DEGB COc1ccc(CC(=O)N/N=C/c2cccc(O)c2)cc1OC 4740783 GCAMHUFTBPUBOJ-WOJGMQOQSA-N 314.341 2.102 50 40 DEGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Cl)c1cccnc1 33295048 FHNCETLQKZRZSH-PXNMLYILSA-N 304.693 2.407 50 40 DEGB CCN(C(=O)CCl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79392514 NWOCEPGJFCTXOU-NSHDSACASA-N 304.818 2.473 50 40 DEGB COc1cc(/C=C(\C#N)C(N)=C(C#N)C#N)cc(Cl)c1O 97959660 HKLXEEAUIRWHIT-XNWCZRBMSA-N 300.705 2.221 50 40 DEGB COc1ccc([C@@H]2C(C#N)=C(N)Sc3[nH]c(=O)sc32)cc1 96319019 ZZJUOTREWRVVLD-SNVBAGLBSA-N 317.395 2.376 50 40 DEGB COc1cc(/C(C)=N\NC(=O)c2cc(C(C)C)n[nH]2)ccc1O 13647796 YRLJNQHBUNLXGS-YVLHZVERSA-N 316.361 2.401 50 40 DEGB Cc1ccn2c(C(=O)N/N=C/c3ccc(O)cc3)c(C)nc2c1 58885525 LJJIIZNWNVQABH-VCHYOVAHSA-N 308.341 2.421 50 40 DEGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccccn1 17053696 OYBOUYIVMZMCEU-AWEZNQCLSA-N 316.320 2.141 50 40 DEGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccnc1 113613 FJYAQUOTZFKJKE-CQSZACIVSA-N 317.304 2.406 50 40 DEGB CC(C)(C)NC(=S)NNC(=O)COc1ccc(Cl)cc1 8301700 CEIHTDPGIPVYSP-UHFFFAOYSA-N 315.826 2.013 50 40 DEGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 485093 ADNKUHXFJXKZID-UHFFFAOYSA-N 300.274 2.061 50 40 DEGB biogenic Cc1sc(/C=N/NC(=O)Cc2cccnc2)cc1[N+](=O)[O-] 137857 PEHUBGAQUCPBAA-OVCLIPMQSA-N 304.331 2.053 50 40 DEGB O=C(NNC(=O)c1cccs1)c1ccc(Br)o1 142137 SUJPOGCFLVSXOZ-UHFFFAOYSA-N 315.148 2.178 50 40 DEGB O=C(CSc1cc(F)ccc1F)NNC(=O)c1ccco1 8238648 YOPGZEULSTXHLY-UHFFFAOYSA-N 312.297 2.111 50 40 DEGB Cc1ccccc1C(=O)NNC(=O)c1cc(Br)c[nH]1 14187660 QAMPWKUCKZHRNC-UHFFFAOYSA-N 322.162 2.160 50 40 DEGB O=C(N/N=C/c1ccc(O)c(O)c1O)c1ccc2ccccc2n1 6598370 RPLDAVVGQKUHRH-GIJQJNRQSA-N 323.308 2.116 50 40 DEGB CN(NC(=O)C(C)(C)c1cccc(C(F)(F)F)c1)C(N)=O 95456389 GBDMQYHNJNWNRO-UHFFFAOYSA-N 303.284 2.025 50 40 DEGB CC(C)COc1ccc(/C=C/C(=O)NN)cc1Br 216883446 DZIPATNTXYKHEK-GQCTYLIASA-N 313.195 2.487 50 40 DEGB O=C1C[C@@]2(C[C@@H](Cl)N=N2)C(=O)N1c1cccc([N+](=O)[O-])c1 5254378 FEBLIVBHGPYGTP-CABZTGNLSA-N 308.681 2.018 50 40 DEGB C/C(CC(=O)N(C(C)C)C(C)C)=N\NC(=O)c1ccncc1 5732482 QAQVAYQXTAWVGT-QGOAFFKASA-N 304.394 2.223 50 40 DEGB COc1ccccc1NC(=O)C(=O)N/N=C/c1sccc1C 59435553 VSKVIERWEQNNMN-CXUHLZMHSA-N 317.370 2.154 50 40 DEGB Cc1cc(OCC(=O)NNC2=CC(=O)CCC2)ccc1Cl 408957523 UTULIDNSHSMEOK-UHFFFAOYSA-N 308.765 2.285 50 40 DEGB C[C@@H]1CN(C(=O)CCl)CCN1C(=O)OCc1ccccc1 79419920 UBWQVLOKGBWWBD-GFCCVEGCSA-N 310.781 2.095 50 40 DEGB Cc1ccsc1/C=N/NC(=O)C(=O)Nc1ccc(F)cc1 5748629 DUXXPLFAILNZKW-LZYBPNLTSA-N 305.334 2.284 50 40 DEGB Nc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1 2561977 DNEQAHMGGIFYOU-UHFFFAOYSA-N 304.737 2.389 50 40 DEGB C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1cc(F)ccc1O 6684253 RGTAOCVTTYPFSH-GIJQJNRQSA-N 316.288 2.414 50 40 DEGB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2Br 32611784 JGQCHGBANFUFDO-SNVBAGLBSA-N 313.195 2.424 50 40 DEGB CCN(C[C@@H]1CCCN1C(=O)CCl)C(=O)OC(C)(C)C 79408818 ZPIPAKVBTPAWMA-NSHDSACASA-N 304.818 2.473 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc(C)cc1 96519105 HFKALVLTLHZKJA-GHMZBOCLSA-N 307.209 2.184 50 40 DEGB O=C(O)c1cccc(N[C@H]2SC(=O)N(CCCl)C2=O)c1 12113039 SHIFLBMTWLOEOI-VIFPVBQESA-N 314.750 2.057 50 40 DEGB CC(=O)NCCSSCc1ccccc1C[S@](=O)O 17138978 WSBOUSNRMAROOJ-UHFFFAOYSA-N 319.473 2.426 50 40 DEGB CCOc1ccc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)cc1 6654344 GSYQAIIGIFVBGY-UHFFFAOYSA-N 324.340 2.036 50 40 DEGB O=C(CCCCl)NC(=S)Nc1cccc(C(=O)O)c1 6615178 MBFOPMQLOYHYQE-UHFFFAOYSA-N 300.767 2.217 50 40 DEGB Cc1ccc(NCC(=O)NNC(=S)NC2CCCCC2)cc1 2785804 FCFQLLDDLHUESP-UHFFFAOYSA-N 320.462 2.235 50 40 DEGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1 408770877 BWENYYXQUZPCJX-ZROIWOOFSA-N 316.357 2.060 50 40 DEGB COc1ccc(-n2nc(C(=O)NN)cc2-c2ccccc2)cc1 39206929 GZEHSFYVXQHNGX-UHFFFAOYSA-N 308.341 2.151 50 40 DEGB CC(C)COc1ccc(C(=O)NNC(=O)c2ccncc2)cc1 569103 YJUCRBZXJHQGSD-UHFFFAOYSA-N 313.357 2.191 50 40 DEGB CC(C)Oc1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1 40549525 NJZUUJZNTZWSNU-UKTHLTGXSA-N 324.388 2.371 50 40 DEGB CCCCNC(=O)/C(C#N)=C\N1CCN(c2ccccc2)CC1 101389421 MBPYDHXWGXQGNM-NXVVXOECSA-N 312.417 2.132 50 40 DEGB C/C(CC(=O)N[C@H](C)c1ccccc1)=N\NC(=O)c1ccncc1 4898880 BZQICQZMWCJIKO-CNRHGSOZSA-N 324.384 2.455 50 40 DEGB CN(C)C(=O)[C@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 2348193 KBMARDPLVZNCNA-CKLFPEKLSA-N 302.212 2.234 50 40 DEGB COC(=O)N1[C@H]2C[C@H](Br)[C@H](Br)C[C@H]21 101042552 RUAPYDZHXLSHCZ-SPMCEVJTSA-N 312.989 2.126 50 40 DEGB O=C(NN=C1CCCC1)c1ccc(CN2CCOCC2)cc1 27528002 IAOFSWCNUUOVAH-UHFFFAOYSA-N 301.390 2.179 50 40 DEGB CC1(CC(=O)N/N=C/c2ccc3c(c2)OCO3)SCCS1 409363426 LTRPSMSBFKTORN-OVCLIPMQSA-N 324.427 2.452 50 40 DEGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(Cl)cc1Cl 3062048 DSAZHCWVNDERGG-CAOOACKPSA-N 314.172 2.136 50 40 DEGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc[nH]1 487132 XPCPODYGWDBNRM-CAOOACKPSA-N 321.178 2.339 50 40 DEGB COc1cccc(C(=O)N/N=C/c2cc(OC)ccc2OC)c1 5073170 GQXQZCOUKWSVIB-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB O=C(NNC(=O)c1ccccc1Cl)c1ccc(Cl)nc1 2557771 XQIIENIVDJCCDS-UHFFFAOYSA-N 310.140 2.463 50 40 DEGB COCCOc1ccc2nc(NC(=O)CCl)sc2c1 20131841 UPBBUBKXTDNZPG-UHFFFAOYSA-N 300.767 2.499 50 40 DEGB NC(=S)N/N=C/c1ccc(N(CCCl)CCCl)cc1 1690910 YOLBRZBUSXEONX-CXUHLZMHSA-N 319.261 2.138 50 40 DEGB O=C(N/N=C/c1ccccc1O)c1cncc(Br)c1 257415 UUUBAPFTNGVSNX-FRKPEAEDSA-N 320.146 2.314 50 40 DEGB N#CC(C#N)=C(N)[C@]1(C#N)O[C@@H]1c1cccc(Br)c1 66088277 LOFBBQITUVMILL-OLZOCXBDSA-N 315.130 2.043 50 40 DEGB COc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(OC)c1 8115042 BLPJPQCIKICCOQ-DDLUMYACSA-N 323.352 2.461 50 40 DEGB Nc1ccc(C(=O)NN2C(=O)[C@@H](Cl)[C@H]2c2ccccc2)cc1 5593575 XMGMSRWEFFJJLL-UONOGXRCSA-N 315.760 2.105 50 40 DEGB CCOc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(Cl)c1O 5817629 VWILQMIUDSMZCI-FRKPEAEDSA-N 322.752 2.240 50 40 DEGB C[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1ccccc1F 2726482 NNAUDFLRMSBIBH-LLVKDONJSA-N 302.305 2.054 50 40 DEGB COc1ccc(C(=O)[C@@H](Br)CC(=O)O)c(OC)c1 94198476 XEAXWJOLJKNNFM-VIFPVBQESA-N 317.135 2.125 50 40 DEGB CCn1cccc1/C=N/NC(=O)CSc1nc(C)cc(C)n1 8091036 DIVZTDSOQDDUJQ-CXUHLZMHSA-N 317.418 2.157 50 40 DEGB COc1cccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c1OC 8168756 AJJQXHPBQADDQB-SLDJAQPHSA-N 323.352 2.461 50 40 DEGB CCCCCCCC(=O)NNC(=O)[C@H]1CCCC[C@H]1C(=O)O 100980671 WFNJWOIMLKOISB-QWHCGFSZSA-N 312.410 2.385 50 40 DEGB COc1ccccc1NC(=S)NNC(=O)c1ccccc1 477835 DZDRFPGBHOXFJT-UHFFFAOYSA-N 301.371 2.327 50 40 DEGB Cc1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2c(C)nn(C)c2F)cc1 252504831 VMRZNNAHWCLGKQ-GZBXKKSUSA-N 314.364 2.430 50 40 DEGB C/C(=N\NC(=O)c1ccco1)c1ccc(N2CCOCC2)cc1 5517008 XFOFDYIKNXZGHJ-QGOAFFKASA-N 313.357 2.270 50 40 DEGB COc1ccc(C(=O)N/N=C/C(Cl)=C(\Cl)C(=O)O)cc1 2577804 NOXOZPQWEXGSLE-YQRPYVQDSA-N 317.128 2.185 50 40 DEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(N(C)C)o2)c1 582099 QHNSBZTVYWEXAW-LICLKQGHSA-N 314.345 2.068 50 40 DEGB CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccn2)cc1 3057961 KOYXPYBTWRJWKQ-YBFXNURJSA-N 310.357 2.294 50 40 DEGB O=C(NNC(=S)Nc1ccccc1)[C@H]1COc2ccccc21 35338 RCTHQUYIZMMQQT-ZDUSSCGKSA-N 313.382 2.180 50 40 DEGB CN(C)c1ccc(P(=O)(O)c2ccc(N(C)C)cc2)cc1 1677616 TUEYLMCGFMKWBE-UHFFFAOYSA-N 304.330 2.040 50 40 DEGB NC(=O)N/N=C1\C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1 4482986 XQEXACNRESQTEA-XTFSCAMASA-N 307.353 2.386 50 40 DEGB Cc1cc(C(=O)NNC(=O)c2cccc(N(C)C)c2)c(C)o1 5635896 SWXHUUQCGWRROL-UHFFFAOYSA-N 301.346 2.037 50 40 DEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccccc1Cl 16693968 QYLBUZMIDXVHKB-FLIBITNWSA-N 301.733 2.474 50 40 DEGB C/C(=N\NC(=O)CNC(=O)c1ccco1)c1ccc(Cl)cc1 6645897 BHTGUURNOJHSPL-VCHYOVAHSA-N 319.748 2.203 50 40 DEGB COC(=O)CSC1=C(C#N)C(=O)NC2(CCCCC2)S1 202339 LDZXSQFIFVOBGA-UHFFFAOYSA-N 312.416 2.151 50 40 DEGB C=CCOC(=O)[C@H](CBr)NC(=O)OC(C)(C)C 6363860 XDOUMZBQABKMPE-QMMMGPOBSA-N 308.172 2.004 50 40 DEGB in-vitro COc1ccccc1C(=O)NNC(=S)NCc1ccccc1 6447666 OAYIKYKMYHPVKH-UHFFFAOYSA-N 315.398 2.004 50 40 DEGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cccs1 59433999 RYMVWNVLQGUYBC-CXUHLZMHSA-N 317.370 2.154 50 40 DEGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)C(Cl)Cl 104336071 FFHVZDPRFGMVIM-SNVBAGLBSA-N 315.156 2.084 50 40 DEGB CCc1ccc2c(c1)/C(=N\NC(=O)c1cccc(F)c1)C(=O)N2 59472590 PIWBTCDGOMVQST-UHFFFAOYSA-N 311.316 2.474 50 40 DEGB N#Cc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(F)c1 4544629 WBPAENAGEJIBQB-GIJQJNRQSA-N 312.260 2.369 50 40 DEGB O=C(CCl)N(c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 40177450 OCTFGTWJDGHKNI-NSHDSACASA-N 322.213 2.099 50 40 DEGB CCN(C(C)=O)N(CC)c1nc(Cl)nc(NC(C)(C)C)n1 27642 YMYQQWVBKNFHIR-UHFFFAOYSA-N 314.821 2.345 50 40 DEGB CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OC 7946739 JJHGFZYKAASREZ-VGOFMYFVSA-N 315.167 2.326 50 40 DEGB CCOc1cc2c(cc1/C=C(\C#N)S(C)(=O)=O)O[C@@H](C)C2 7714195 UQTSEGHPSLLBLR-FYTLYHSASA-N 307.371 2.318 50 40 DEGB CCCn1nc(C)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253408582 YFWYIIOUURQQDU-OAHLLOKOSA-N 312.373 2.416 50 40 DEGB C[C@H](Sc1ccccn1)C(=O)NNC(=O)c1ccccc1 7371038 GWSBMEKNBWFDPP-NSHDSACASA-N 301.371 2.023 50 40 DEGB NNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1Cl 500570 VAFONZUMRLBGRX-GXDHUFHOSA-N 315.760 2.101 50 40 DEGB CC(C)Oc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 408719791 LNYYBSJXBBTZLO-LDADJPATSA-N 303.406 2.410 50 40 DEGB N#C/C(C(=O)CN1CCCCCC1)=C1\NC(=O)c2ccccc2N1 26462835 YAZRFPMOFDXPJN-SAPNQHFASA-N 324.384 2.022 50 40 DEGB O=C(Cn1ccc2ccccc21)NNC(=O)c1ccc(F)cc1 4676636 NUDSDDZVWZCKRO-UHFFFAOYSA-N 311.316 2.242 50 40 DEGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(O)c1 5027172 WTOKLMCARPLLFY-UHFFFAOYSA-N 314.385 2.370 50 40 DEGB CC(C)NC(=O)/C(C#N)=C\c1cn(CC(=O)O)c2ccccc12 203604978 YENCIKAMFMVNMF-GHXNOFRVSA-N 311.341 2.157 50 40 DEGB O=C(NNc1ncnc2ccccc12)c1ccc([N+](=O)[O-])cc1 6787174 MVSUQKBUNFHIMO-UHFFFAOYSA-N 309.285 2.295 50 40 DEGB CCC(CC)C1=C(C#N)[C@@](C#N)(C(N)=O)C(CC)(CC)[C@H](O)O1 96336712 GWSIHQLJMHQCAG-WBVHZDCISA-N 319.405 2.351 50 40 DEGB COc1ccc(CC(=O)N/N=C(/C)c2ccc(O)cc2O)cc1 95483006 YTQAWRVHNQECQY-WQRHYEAKSA-N 314.341 2.189 50 40 DEGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C\c1cccs1 33605961 ABOHGVDSCDDOIW-IUXPMGMMSA-N 321.789 2.282 50 40 DEGB O=C(N[C@H](CCBr)C(=O)O)OCc1ccccc1 4202715 JZVCTQWGTVFUIE-SNVBAGLBSA-N 316.151 2.151 50 40 DEGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1C[C@H]1CCCO1 24592941 YNUMOYVVQDVNKF-NQUDRAQSSA-N 313.401 2.470 50 40 DEGB N#CC1=C(N)Oc2ccc([N+](=O)[O-])cc2[C@H]1c1ccc(N)cc1 1433783 ORXBFIGKSPDIDB-OAHLLOKOSA-N 308.297 2.395 50 40 DEGB Cc1ccc(OCC(=O)NNC(=O)C[C@H]2C=CCC2)cc1C 12905246 GGCSVZAXWAAYPX-AWEZNQCLSA-N 302.374 2.186 50 40 DEGB Cc1[nH]nc2c1[C@@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 6812814 XFZUOILNZMYKDY-HNNXBMFYSA-N 303.325 2.485 50 40 DEGB CN(c1ccc(C(=O)NN=C2CCCCC2)cc1)S(C)(=O)=O 409123572 CVWYFNWTJQRDEK-UHFFFAOYSA-N 323.418 2.132 50 40 DEGB COC(=O)[C@@H](Br)[C@@H](C(=O)OC)c1ccc(C)cc1 32235627 HXZXTWVVTRPMGJ-QWRGUYRKSA-N 315.163 2.188 50 40 DEGB O=C(COc1ccc(Cl)cc1)NNc1ncc(Cl)cn1 72427697 RKBFKNKGBPOVPS-UHFFFAOYSA-N 313.144 2.306 50 40 DEGB COc1ccc2ccccc2c1/C=N/NC(=O)c1cnccn1 528821 GBIFNVXUMLWCFW-KEBDBYFISA-N 306.325 2.402 50 40 DEGB C/C(CC(=O)Nc1cccc(F)c1)=N\NC(=O)c1cccnc1 101159442 MVTHTGSWNZQHME-RGVLZGJSSA-N 314.320 2.355 50 40 DEGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])o1 4891502 WHYZPHNVGCGFQD-RIYZIHGNSA-N 318.245 2.250 50 40 DEGB CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 83260739 ISKHHRQLTJHCJA-WOJGMQOQSA-N 311.341 2.174 50 40 DEGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1O 5686469 LCWUCWSHKXOYBD-CQSZACIVSA-N 312.329 2.041 50 40 DEGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1cn(C)c2ccccc12 252508972 XZSYBWCUGPPTGN-QGMBQPNBSA-N 313.336 2.123 50 40 DEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Cl)c(N)c1 16693884 XLBPIWTUUJDZKF-XFFZJAGNSA-N 316.748 2.057 50 40 DEGB COc1ccc(C(=O)N/N=C/c2cc(C)ccc2O)c(OC)c1 6425893 GFGGHOCFTCUBRD-VCHYOVAHSA-N 314.341 2.482 50 40 DEGB COc1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2O)cc1 289933 MHLCPEVHVJOZOR-UHFFFAOYSA-N 320.732 2.129 50 40 DEGB C=CCNC(=O)[C@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 2241126 JRRPIBNLDTXMLD-FZZIBODNSA-N 314.223 2.448 50 40 DEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1O 3148395 PABTZFGPUIVDHA-WOJGMQOQSA-N 311.341 2.043 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(O)c2)cc1 485306 AXMBFBUOOIIWGR-LICLKQGHSA-N 300.314 2.173 50 40 DEGB COc1ccc(C(=O)NNC(=O)c2ccccn2)c2ccccc12 9550077 TWDSSGGGUBUDDP-UHFFFAOYSA-N 321.336 2.318 50 40 DEGB CCNC(=O)[C@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 2172598 QUBGBAMKAQNKIG-CKLFPEKLSA-N 302.212 2.281 50 40 DEGB Cc1cc2ccccc2n1CC(=O)NNC(=O)c1ccccc1 4702606 HXBSDIIGTFOMKR-UHFFFAOYSA-N 307.353 2.411 50 40 DEGB COc1ccc(S(=O)(=O)N2CCSSCC2)cc1C 95454403 SWVKGJOMQGHOCS-UHFFFAOYSA-N 319.473 2.389 50 40 DEGB CCOc1ccccc1OCC(=O)N/N=C/c1cccc(O)c1 20100820 GSYMMILXPBUXCC-WOJGMQOQSA-N 314.341 2.320 50 40 DEGB O=C(Cc1coc2cc(O)ccc12)NNC(=O)c1cccs1 6510292 DRRMNFLQCOCRTG-UHFFFAOYSA-N 316.338 2.204 50 40 DEGB C[C@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)C(C)(C)C 32904521 MDCGLNYLQSKDEF-VIFPVBQESA-N 320.418 2.290 50 40 DEGB Cc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)o1 32971605 WUIMISVGKVIRNR-UHFFFAOYSA-N 322.748 2.390 50 40 DEGB C[C@H]1CN(c2ccc(CNC=C(C#N)C#N)cc2F)C[C@@H](C)O1 55008522 ZNMCDKLFYKCWEU-BETUJISGSA-N 314.364 2.460 50 40 DEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccccc2C)c1C 12679816 NPWFGWFRDRATHD-UHFFFAOYSA-N 313.357 2.217 50 40 DEGB CCCCc1ccc(CC(=O)NNC(=O)c2ccccn2)cc1 12944022 TWGNOZZQTXVITM-UHFFFAOYSA-N 311.385 2.428 50 40 DEGB COc1cc(O)ccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 61681 KIXTYGMDYRDOAU-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB N=C(CSS(=O)(=O)O)NCC12CC3CC(CC(C3)C1)C2 22612096 PBIXEKKBTRACPD-UHFFFAOYSA-N 318.464 2.306 50 40 DEGB C/C(N)=C(\C#N)C(=O)COc1ccc(Br)cc1F 104860452 ZVGNGLNIBQBHTE-CLFYSBASSA-N 313.126 2.292 50 40 DEGB Cc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n(C)n1 253400823 LYUGDOCRXLAWIL-AWEZNQCLSA-N 312.373 2.179 50 40 DEGB CN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@H]2C1 253500384 PFPORCXOCGBIOO-BZSNNMDCSA-N 315.380 2.040 50 40 DEGB O=C(CC1(O)CCCCC1)N/N=C/c1ccccc1[N+](=O)[O-] 33086 OUKBVWAMJLZIKL-LFIBNONCSA-N 305.334 2.130 50 40 DEGB CCCCNC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 5465694 ONRBXTIVYRWOAS-XDHOZWIPSA-N 303.406 2.351 50 40 DEGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(N)=O)o1 13800390 CLNUODKFNOAKAU-TWGQIWQCSA-N 313.269 2.256 50 40 DEGB N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 196796 PEMNVCGHXNJENT-HNNXBMFYSA-N 308.297 2.395 50 40 DEGB CC(C)(C)OC(=O)N1CCC[C@H]1Cn1cc(CCl)nn1 80848786 KHCLBANYNDQTLW-NSHDSACASA-N 300.790 2.416 50 40 DEGB CC(C)NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 29657480 WZDPOPRFCAJCLR-UHFFFAOYSA-N 317.345 2.211 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)C2SCCCS2)cc1 3173675 CVCJCVQGRUBXOZ-XNTDXEJSSA-N 309.460 2.399 50 40 DEGB Cc1ccc(C)c(OCC(=O)NNC(=O)Cc2cccs2)c1 4551657 YYFDKGFAXKXGKN-UHFFFAOYSA-N 318.398 2.134 50 40 DEGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc2c(c1)OCO2 408750230 YIZAQZPLMHZKMZ-GIJQJNRQSA-N 312.325 2.496 50 40 DEGB Cc1ccccc1C(=O)NNC(=O)CCC(=O)c1cccs1 8089924 KBPRJNHLJZVHGF-UHFFFAOYSA-N 316.382 2.481 50 40 DEGB CC/C(=N\NC(=O)C(C)(C)O)c1cccc(Br)c1 32578425 IJOQJWQCLDKTJF-RVDMUPIBSA-N 313.195 2.450 50 40 DEGB Cc1ccc(NCC(=O)N/N=C/c2c(C)cc(O)cc2O)cc1 34062 NCXYJHRCPJFINE-DJKKODMXSA-N 313.357 2.277 50 40 DEGB CCc1noc(C)c1C(=O)NNC(=O)c1cccc(Cl)c1 8194168 IFHDXNRJQMERSP-UHFFFAOYSA-N 307.737 2.274 50 40 DEGB CC(C)CNC(=O)CC(=O)N/N=C/c1cccc2ccccc12 3057737 ISMKNRAGVLZAST-UDWIEESQSA-N 311.385 2.452 50 40 DEGB O=C(NNC(=O)[C@H]1CC=CCC1)c1cc(-c2ccccc2)n[nH]1 8284006 CNNBZYQBARJVHQ-ZDUSSCGKSA-N 310.357 2.194 50 40 DEGB CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)C#N 104195966 MDLLTBLACCNBNJ-XUWXXGDYSA-N 316.401 2.288 50 40 DEGB N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)NC1CCCC1 14178364 XOSLKXWHOGASSR-UKTHLTGXSA-N 314.341 2.116 50 40 DEGB CC(C)COc1ccccc1/C=C(\C#N)C(=O)N1CCOCC1 408602423 NLFICEPALWLBIW-LFIBNONCSA-N 314.385 2.487 50 40 DEGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1 20086739 DFKUJRVDCGEEGP-HNNXBMFYSA-N 307.353 2.220 50 40 DEGB Cc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 23724010 IJOPSHRZKUEFLW-WTWVRAIASA-N 315.329 2.105 50 40 DEGB CN(C)c1cccc(C(=O)NNC(=O)/C=C/c2cccs2)c1 7988659 VPNJZQCRSDEHJB-CMDGGOBGSA-N 315.398 2.289 50 40 DEGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cnccn1 552068 OLJVZPPNLROHQU-KEBDBYFISA-N 320.356 2.043 50 40 DEGB COc1ccc(Cl)cc1NC(=O)C(=O)NN=C1CCCC1 59516315 OFGJEHBKYQUYLG-UHFFFAOYSA-N 309.753 2.333 50 40 DEGB COc1ccccc1NCC(=O)NN=C1CCN(C(C)C)CC1 57270435 FBFUUKZLPKIIBP-UHFFFAOYSA-N 318.421 2.084 50 40 DEGB O=C(CCCCl)NC[C@@H](c1cccs1)N1CCOCC1 25326264 FJNREDPEWOMLRD-LBPRGKRZSA-N 316.854 2.257 50 40 DEGB CC1(CC(=O)N/N=C/c2c[nH]c3ccccc23)OCCCO1 408719953 UEOLKOHHXQVCBU-WOJGMQOQSA-N 301.346 2.161 50 40 DEGB O=C(CCc1ccc(Cl)cc1)NNC(=O)c1ccccc1O 8156583 FREPLQVVNISGNO-UHFFFAOYSA-N 318.760 2.439 50 40 DEGB O=C(Nc1ccccc1C(=O)NNC(=O)C1CC1)c1ccccc1 12346130 SNVSONUKBSSCSI-UHFFFAOYSA-N 323.352 2.110 50 40 DEGB C/C(=N\NC(=O)c1ccccc1O)c1ccc2c(c1)OCCO2 12582266 YFFFTVYVSHWRJB-WOJGMQOQSA-N 312.325 2.317 50 40 DEGB COc1cc(OC)cc(C(=O)NNC(=O)CCC2CCCC2)c1 6786539 GZOCYNAVQAAZLF-UHFFFAOYSA-N 320.389 2.435 50 40 DEGB COc1cccc(/C=N/NC(=O)COc2ccccc2)c1OC 63823 MYGYAGJXROPVFA-WOJGMQOQSA-N 314.341 2.233 50 40 DEGB Cc1ccn(CC(=O)N/N=C/c2c(O)ccc3ccccc23)n1 370242 XDTCFDDJKSPDLN-VCHYOVAHSA-N 308.341 2.201 50 40 DEGB Cn1cccc1CC(=O)NNC(=S)Nc1ccccc1Cl 8692008 BHZQYDYWMPPXGS-UHFFFAOYSA-N 322.821 2.239 50 40 DEGB O=C(CCl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 9118006 IKPANAFNJMZRKU-UHFFFAOYSA-N 318.160 2.136 50 40 DEGB CO[C@H](C(=O)N/N=C(\C)c1cc(O)ccc1O)c1ccccc1 408719956 QJEZLKDUJIBXAX-GYKGCMEESA-N 314.341 2.326 50 40 DEGB CCNC(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1 43468891 UMAKVDPJZXMRKN-UHFFFAOYSA-N 300.362 2.058 50 40 DEGB Cc1ccc(C)c(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c1 40177542 QVYVRBNIMIVODH-GFCCVEGCSA-N 315.822 2.062 50 40 DEGB CCOC(=O)[C@H](Br)C(=O)c1cc(F)ccc1F 16158310 WZGZLLQOFLAHQM-SECBINFHSA-N 307.090 2.474 50 40 DEGB CCCCC(=O)NNC(=O)c1sc2nc(C)cc(C)c2c1N 12740734 YNJQEZGVXZLEAE-UHFFFAOYSA-N 320.418 2.447 50 40 DEGB Cc1ccc(NC(=O)/C(C#N)=C(\N)C(Cl)(Cl)Cl)nc1 19818211 BPICEFQNJLNAQX-CLFYSBASSA-N 319.579 2.435 50 40 DEGB COc1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1 290283 XNOSGLLHMVQFOR-UHFFFAOYSA-N 304.733 2.423 50 40 DEGB CC(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1 3080056 GEUIGZYRRWJNQW-VXLYETTFSA-N 313.357 2.170 50 40 DEGB Cc1nc(-c2c[nH]c(C(=O)NNC(=O)c3ccoc3)c2)cs1 61500328 OALAQBJVGJYPIZ-UHFFFAOYSA-N 316.342 2.114 50 40 DEGB CCOC(=O)N/N=C\c1ccc(I)cc1 31687252 ZXOSEGKIKNEXNN-GHXNOFRVSA-N 318.114 2.371 50 40 DEGB C#CCOc1cccc(/C=N/NC(=O)c2cccc(OC)c2)c1 14134345 MYWBZMXWCDQISP-CPNJWEJPSA-N 308.337 2.471 50 40 DEGB COC(=O)c1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1 30822016 CBKVOFVZCMOZFM-ZDLGFXPLSA-N 300.289 2.376 50 40 DEGB Cc1c(Cl)c(C(=O)N/N=C/c2ccc(F)s2)nn1C 252490030 KHRCIRYJHVKZQV-LHHJGKSTSA-N 300.746 2.346 50 40 DEGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2O)c1 581633 LFNDJXMSOMMOKG-LICLKQGHSA-N 300.314 2.173 50 40 DEGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1ccncc1)C2 8336805 BCACPFMJPAPSMC-AWQFTUOYSA-N 308.385 2.164 50 40 DEGB COc1ccccc1/C=N\NC(=O)c1ccc2c(c1)OCCO2 5514997 SCGJWLVAWROGDR-WQRHYEAKSA-N 312.325 2.230 50 40 DEGB CC(=O)NNc1nc(-c2cc3ccccc3oc2=O)cs1 258859 QLLYGBLPTBJQTO-UHFFFAOYSA-N 301.327 2.380 50 40 DEGB Cc1noc(C(C)C)c1C(=O)NN(C)C(=S)NCC(C)C 21558557 YBQZSKFRWRRQEB-UHFFFAOYSA-N 312.439 2.214 50 40 DEGB CCC(CC)C1=C(C#N)[C@](C#N)(C(N)=O)C(CC)(CC)[C@H](O)O1 96336713 GWSIHQLJMHQCAG-NVXWUHKLSA-N 319.405 2.351 50 40 DEGB C/C(CC(=O)Nc1cccnc1)=N\NC(=O)Cc1cccs1 101383513 XDTXGLINSQIQSV-WOJGMQOQSA-N 316.386 2.207 50 40 DEGB Cc1cc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cs1 102596867 YNXYZIQZCNXHFF-JBLDHEPKSA-N 309.460 2.354 50 40 DEGB O=C(CCc1ccco1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 8284003 DLBVQDAVMJDHAY-UHFFFAOYSA-N 324.340 2.064 50 40 DEGB C=CCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1OC 3335316 YULDWVQQILWHPV-YBFXNURJSA-N 311.341 2.419 50 40 DEGB CCOc1cccc(/C=N\NC(=O)c2cc(C3CC3)n[nH]2)c1O 36685801 MEXIFMUBPYFJES-MFOYZWKCSA-N 314.345 2.155 50 40 DEGB COc1ccc(O)c(/C=N/NC(=O)CNc2ccc(C)cc2)c1 58878 UNGSATZQTYMVKG-VXLYETTFSA-N 313.357 2.271 50 40 DEGB Cc1ccccc1NC(=O)NNC(=O)COc1ccccc1F 53957845 SZDOSDPMBZXHTC-UHFFFAOYSA-N 317.320 2.366 50 40 DEGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)CC(=O)N1 9329464 PIBTXVLNPZHGRE-LLVKDONJSA-N 320.345 2.071 50 40 DEGB COc1ccc(/C=N/NC(=O)CNC2CCCCC2)c(OC)c1 409379047 URCGCMLSWYIEBR-YBFXNURJSA-N 319.405 2.076 50 40 DEGB COc1cc(OC)cc(C(=O)N/N=C/c2cccc(O)c2)c1 581631 YLYWABVDDHDJBT-LICLKQGHSA-N 300.314 2.173 50 40 DEGB CCOP(=S)(NC(=O)NCc1ccccn1)OCC 2577775 FOTAOYBPHIUWHB-UHFFFAOYSA-N 303.324 2.178 50 40 DEGB C/C(CC(=O)NC1CCCCC1)=N\NC(=O)c1ccncc1 100530213 SOKRHJSIKKSJSJ-XDHOZWIPSA-N 302.378 2.026 50 40 DEGB N#C/C(=C\c1cc2cc3c(cc2nc1Cl)OCO3)C(N)=O 44891141 VCUFDJBUEBRQMY-XNWCZRBMSA-N 301.689 2.009 50 40 DEGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccccc2C)o1 104455991 SPBXRDGZQCHIES-BENRWUELSA-N 314.370 2.463 50 40 DEGB COc1cccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)c1O 13638921 QENFGZLLWWLTAV-UFWORHAWSA-N 310.313 2.041 50 40 DEGB Cc1ccc(NCC(=O)N/N=C/c2ccccc2OCC#N)cc1 44395956 JHBQPRPJJWSWPC-CIAFOILYSA-N 322.368 2.460 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1C 247290 DHEJOATZQJHLJR-HNRFISLBSA-N 300.358 2.206 50 40 DEGB CCOc1ccc(-n2c(C)cc(/C=N/NC(N)=O)c2C)cc1 6319215 JMBZSDMEOJVNQC-VCHYOVAHSA-N 300.362 2.495 50 40 DEGB C/C(N)=C(/C#N)C(=O)COC(=O)CCSc1ccccc1 4005296 YUBKZMAXESKMPL-ACCUITESSA-N 304.371 2.037 50 40 DEGB CC(NNC(=O)c1ccccc1)=C1C(=O)CC(C)(C)CC1=O 101135261 OHXZZDLKPBOQBU-UHFFFAOYSA-N 300.358 2.153 50 40 DEGB COCCCNC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(OC)c1 58128421 MCENDGUOMUWULN-WDZFZDKYSA-N 324.764 2.114 50 40 DEGB CCn1c(NNC(=O)CC(C)(C)C)nc2ccccc2c1=O 11157089 MPJPJTWXPQEJQB-UHFFFAOYSA-N 302.378 2.296 50 40 DEGB CC(C)NC(=O)C(=O)NN=C1CCC(c2ccccc2)CC1 8217722 SKKPHTZHZYZXTC-UHFFFAOYSA-N 301.390 2.341 50 40 DEGB IC[C@@H]1COc2cccc3ccc[n+]1c23 4600604 ATINFHCPYICAKY-SNVBAGLBSA-N 312.130 2.496 50 40 DEGB O=C(CCc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1O 36008853 KHRIXQDYOQCOKY-GZTJUZNOSA-N 313.313 2.383 50 40 DEGB CCn1ncc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1F 252498398 RBDCNFNOIBRFRX-LQZLSNDWSA-N 300.337 2.296 50 40 DEGB CCc1n[nH]c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 101096 PFFNRLQNAIFNCF-CQSZACIVSA-N 309.373 2.256 50 40 DEGB CC(=O)Oc1cc(OC(C)=O)cc(C(=O)CBr)c1 22053127 GXTZIQJXSCEEMV-UHFFFAOYSA-N 315.119 2.115 50 40 DEGB in-vitro O=C(O)c1ccccc1C(=O)NNc1ncnc2ccccc12 3423861 XQHZNEYTALXDSK-UHFFFAOYSA-N 308.297 2.085 50 40 DEGB CCOc1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1OC 4853173 CJZKIMANIASNAC-IZZDOVSWSA-N 309.329 2.335 50 40 DEGB Cc1cnn(C)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253408634 YJUXIGVJOFMSHB-ZDUSSCGKSA-N 312.373 2.179 50 40 DEGB COc1ccc(CC(=O)OCCBr)cc1OC 1679653 ZABPHOVCAGPNDK-UHFFFAOYSA-N 303.152 2.184 50 40 DEGB COc1ccccc1CCC(=O)NNC(=O)c1ccccc1F 2658261 VXSVKOYJQAWIJS-UHFFFAOYSA-N 316.332 2.228 50 40 DEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)OC(C)(C)C)c1O 36157576 BUPBMTLNTHXQHI-VGOFMYFVSA-N 311.294 2.168 50 40 DEGB O=C(CCCc1cccs1)NNC(=O)c1ccc(O)cc1 14201087 UYKHIULCFXDHGT-UHFFFAOYSA-N 304.371 2.238 50 40 DEGB Cc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3NN=C(C(F)(F)F)[C@H]32)cc1 254591827 PUVDOYDENXOXGD-JTNHKYCSSA-N 322.290 2.267 50 40 DEGB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2[C@H](C)C(=O)NN 260725545 XXXSXRCJUBRLSO-GFCCVEGCSA-N 303.406 2.466 50 40 DEGB Cc1cccc(C)c1NCC(=O)N/N=C\c1ccc(O)cc1O 13285912 YABGVRJSDYTUND-OCKHKDLRSA-N 313.357 2.277 50 40 DEGB Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2ccco2)c1C 14066980 ZPJUXFHIWUDIBS-LBPRGKRZSA-N 302.330 2.125 50 40 DEGB Cc1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2c(C)nn(C)c2F)cc1 252504829 VMRZNNAHWCLGKQ-AMFDNYHJSA-N 314.364 2.430 50 40 DEGB COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCC#N 3573105 CMXHXJLYYCHRFS-XDHOZWIPSA-N 309.325 2.361 50 40 DEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccoc3)[C@H]2C1 377211 WCVMRVWKGVDBJB-HOTGVXAUSA-N 319.368 2.025 50 40 DEGB O=C(Cc1ccccc1)NNC(=O)c1cccc2ncccc12 12999594 VDUCLFCZSBFXKD-UHFFFAOYSA-N 305.337 2.239 50 40 DEGB O=C(CCC(=O)NC1CCCCC1)N/N=C/c1cccc(O)c1 4699756 WTQVAUMJWVNBQY-LDADJPATSA-N 317.389 2.071 50 40 DEGB O=C(NNC(=O)c1ccco1)c1ccc(N2CCCCC2)cc1 72309321 JDFRQELYNHRTBC-UHFFFAOYSA-N 313.357 2.345 50 40 DEGB CC(C)N(C(=O)CCl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 79392535 HLWQGYSBBISHSO-LLVKDONJSA-N 304.818 2.472 50 40 DEGB COC(=O)/C=C1\CCCCCN1C(=O)[C@H](C)Br 96528485 FWVRAWRUNBLIFL-WKMLFNHBSA-N 304.184 2.229 50 40 DEGB CC(C)N1CCC(=NNC(=O)c2ccc3c(c2)OCO3)CC1 5384393 IIWQBBRLXICUNT-UHFFFAOYSA-N 303.362 2.005 50 40 DEGB CC(=O)Nc1ccc(/C=N\NC(=O)COc2ccccc2)cc1 31729794 LDUVWTBRMQMCRP-WQRHYEAKSA-N 311.341 2.174 50 40 DEGB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)CC(C)C 103916761 KCCDFAGYZGCUJK-VBKFSLOCSA-N 314.389 2.350 50 40 DEGB COC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)c(OC)c1 5728361 PSTUQTIPLKYRBN-WDZFZDKYSA-N 313.313 2.174 50 40 DEGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1ccc(C(=O)O)cc1 408544508 WQNPIAKWKKLLTN-DHDCSXOGSA-N 322.320 2.313 50 40 DEGB CCOc1cc(C(=O)NN)ccc1OCc1cccc(F)c1 216822711 HWHBSDRSGRUWOY-UHFFFAOYSA-N 304.321 2.407 50 40 DEGB Cc1ccc2c(CC(=O)NNC(=O)c3ccncc3)coc2c1 5423533 UJBKMXIGQCMGGS-UHFFFAOYSA-N 309.325 2.140 50 40 DEGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1cccc(Cl)c1Cl 263868 PEWIQCXQGPNESB-GIDUJCDVSA-N 313.144 2.115 50 40 DEGB COc1ccc2nc(/C=N/NC(=O)[C@@H](N)CC(C)C)ccc2c1 2397492 ZUQRSDCCSHWVAO-RPJLVFAOSA-N 314.389 2.067 50 40 DEGB CN1C(=O)S[C@H](Cc2ccc(NC(=O)CCl)cc2)C1=O 4089214 DOYABSPVFGHMIW-SNVBAGLBSA-N 312.778 2.100 50 40 DEGB O=C(CCBr)Nc1ccc(N2CCOCC2)cc1 39369625 GBHZKKZUPMTMIV-UHFFFAOYSA-N 313.195 2.247 50 40 DEGB CCOC(=O)[C@@H](CC)/C(C)=N/NC(=O)c1ccccc1[N+](=O)[O-] 4508705 MQWSXNZOEWFCAT-YAFRSCOQSA-N 321.333 2.290 50 40 DEGB CN(C)C(=O)[C@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C 2348195 KBMARDPLVZNCNA-WQHBLYJGSA-N 302.212 2.234 50 40 DEGB O=S(=O)(c1ccccc1)[C@H]1[C@H]2C[C@H]3[C@@H]([C@@H]2Br)[C@@H]31 104253597 ZNVZGURQOQNGRK-WTHWOGDNSA-N 313.216 2.488 50 40 DEGB C=CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC 3572224 XAUBGGYIIQSLLF-XDHOZWIPSA-N 311.341 2.419 50 40 DEGB CN(C(=O)CCl)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79392646 LPKHSCBWVCCQCX-AWEZNQCLSA-N 324.808 2.485 50 40 DEGB Cc1c(/C=N/NC(=O)CC#N)c(Cl)nn1-c1ccccc1 408893316 MBHOLHIVTDCLCI-RQZCQDPDSA-N 301.737 2.198 50 40 DEGB CC(C)COc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 408858073 JCBKKPLHVWLLPF-WOJGMQOQSA-N 320.389 2.325 50 40 DEGB Cc1c(C(=O)Cl)sc2ncn(C[C@@H]3CCCO3)c(=O)c12 72193598 MACMHXWOORCWNI-QMMMGPOBSA-N 312.778 2.324 50 40 DEGB CCOc1cc(Br)c(/C=N/NC(C)=O)cc1OC 559191 FIDRPKXXNQEEHO-VGOFMYFVSA-N 315.167 2.326 50 40 DEGB O=C(N/N=C/c1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 3147994 YIEKSNGTWISVEJ-LZYBPNLTSA-N 313.269 2.087 50 40 DEGB N=C1SCCN1C[C@H](Br)CBr 4402528 YIJMJTKSTGPYAH-RXMQYKEDSA-N 302.035 2.128 50 40 DEGB CN(C)C(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 59333475 LWQOWEFGURRZSC-YCRREMRBSA-N 323.146 2.173 50 40 DEGB C/C(=N\NC(=O)COc1ccc(F)cc1)c1cc(O)ccc1O 409344173 JCRQVLKXALXCFQ-VCHYOVAHSA-N 318.304 2.156 50 40 DEGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cccnc1 9088022 DZZQEEYPHJGNSZ-AWEZNQCLSA-N 316.320 2.141 50 40 DEGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1C 194519305 ISLRUUBYUVMCKU-NHXNDTTKSA-N 300.358 2.206 50 40 DEGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccccn1 17053699 OYBOUYIVMZMCEU-CQSZACIVSA-N 316.320 2.141 50 40 DEGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 499236 GYZCAXDKPHVTRN-INIZCTEOSA-N 321.336 2.274 50 40 DEGB CCn1nc(C)c2c(C(=O)NN)cc(-c3ccc(C)cc3)nc21 12394834 YNEGPPZZYYIARQ-UHFFFAOYSA-N 309.373 2.339 50 40 DEGB CC(=N/NC(=O)c1ccccc1)/C(=N/O)C(=O)Nc1ccccc1 100560796 FPMHXDGNWBRUIK-DULAJGDZSA-N 324.340 2.261 50 40 DEGB O=C(NNC(=O)c1n[nH]c2ccccc12)c1ccc2c(c1)CCC2 9609896 DXFZQRLAFBEWCY-UHFFFAOYSA-N 320.352 2.126 50 40 DEGB O=C(N/N=C/c1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 3178062 HPMVZPXPIIJBCB-UZUMKDMXSA-N 307.353 2.190 50 40 DEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)o2)CC(=O)N1 278866 DVSIXBQUPHVGMB-JTQLQIEISA-N 320.370 2.223 50 40 DEGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1cccc([N+](=O)[O-])c1 24221775 DAPWNZBAEUQTBR-NTUHNPAUSA-N 310.313 2.395 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(O)ccc1[N+](=O)[O-] 409229011 IJXKEQWKLCRZQP-MFOYZWKCSA-N 317.276 2.132 50 40 DEGB O=C1S[C@@H](Nc2cccc([N+](=O)[O-])c2)C(=O)N1CCCl 12113036 DUWYTLKPTYWVPV-SECBINFHSA-N 315.738 2.267 50 40 DEGB Cc1c(C(=O)NNC(=O)c2cccs2)cccc1[N+](=O)[O-] 570413 QBVJLRQOLOQWTH-UHFFFAOYSA-N 305.315 2.040 50 40 DEGB CCCCOc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 59436932 USXIGFDEVZVBNZ-QGOAFFKASA-N 320.389 2.469 50 40 DEGB CC(C)(C)CC(=O)NNC(=O)c1cncn1-c1ccc(F)cc1 12573401 ULXGTHNALSNTLP-UHFFFAOYSA-N 318.352 2.209 50 40 DEGB O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)C1CCC1 3317427 OPBHAOKSSFKWQC-UHFFFAOYSA-N 316.279 2.032 50 40 DEGB Cc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)s1 3475674 WNPTTZXLEFVQQH-BRSWLGOBSA-N 302.355 2.347 50 40 DEGB C/C(=N\NC(=O)NC1CCCC1)[C@H]1Cc2ccccc2C(=O)O1 98055483 ORGUOSYSSYRFST-SKCQWOFPSA-N 315.373 2.386 50 40 DEGB CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 20244089 JOIMBIGGCMOLSZ-VCHYOVAHSA-N 319.405 2.086 50 40 DEGB CCN(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)CCl)C1 79411893 UKPBBAKWNPKVPY-AWEZNQCLSA-N 324.808 2.485 50 40 DEGB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1cccs1 1433496 SWXJEAZVBLODEM-RIYZIHGNSA-N 305.315 2.185 50 40 DEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@H]2C1 20814070 XSXJDVWVGUKTNT-LSDHHAIUSA-N 321.409 2.103 50 40 DEGB C[C@]12C(=O)OC(=O)[C@]1(O)C1c3ccccc3C2c2ccccc21 104336771 MWLJTSUZZPZBPF-QIRNKGDASA-N 306.317 2.098 50 40 DEGB O=C(NN=C1CCCC1)C(=O)Nc1ccccc1Br 59435839 UUNWEFORPQBUPJ-UHFFFAOYSA-N 324.178 2.434 50 40 DEGB COc1cc2c(cc1/C=C(/C#N)C(=O)NC1CCCC1)OCO2 409194446 LNFAVPOFQLENNA-SDQBBNPISA-N 314.341 2.390 50 40 DEGB O=C1C=C(NNC(=O)c2ccncc2)C[C@H](c2ccccc2)C1 268350 UNIWTKDLPRNLBR-HNNXBMFYSA-N 307.353 2.347 50 40 DEGB COc1ccc2c(c1)/C(=N\NC(=O)c1ccccc1C)C(=O)N2 59472600 BWKZVJZXMCYDON-UHFFFAOYSA-N 309.325 2.090 50 40 DEGB C[C@H](Oc1ccc(/C=N\NC(=O)c2cccs2)cc1)C(=O)O 33903219 SXOIZATZZXEPGH-XBTXGSBDSA-N 318.354 2.364 50 40 DEGB N#CC(C1=NS(=O)(=O)c2ccccc21)=C1Nc2ccccc2N1 6017343 NXZBGFBHPOYPGT-UHFFFAOYSA-N 322.349 2.451 50 40 DEGB Cc1nc2scc(C)n2c1/C=N/NC(=O)c1ccc(O)cc1 7945442 KRMALSDJBGVYSL-FRKPEAEDSA-N 314.370 2.482 50 40 DEGB [C-]#[N+]CC(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 100542780 NOBWAOZMYIULOW-UHFFFAOYSA-N 306.675 2.201 50 40 DEGB CN(C)N[P@@](=O)(c1ccccc1)c1nc2c(s1)CCCC2 101023709 VNAQFZRAKUBZFD-HXUWFJFHSA-N 321.386 2.317 50 40 DEGB COCCOC(=O)/C(C#N)=C\C=C\c1ccccc1[N+](=O)[O-] 34834553 HUCFFUJDPDXZSA-VKIZFATHSA-N 302.286 2.248 50 40 DEGB C#CCOc1cccc(/C=N/NC(=O)CNc2ccccc2)c1 409389364 YHQLWVGFNANJMM-DEDYPNTBSA-N 307.353 2.261 50 40 DEGB O=C(CCl)NC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79392626 ZSRUDNMIUJVEIQ-AWEZNQCLSA-N 324.808 2.390 50 40 DEGB COc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1 5744501 NLASTUCVHIPSPA-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB Cc1cccc(NCC(=O)NNC(=S)Nc2ccccc2)c1 13544283 GPHVZLQVSOUYKD-UHFFFAOYSA-N 314.414 2.425 50 40 DEGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@H]1c1c(F)cccc1Cl 279103 VXKRMSQFHQWHPB-SNVBAGLBSA-N 306.680 2.098 50 40 DEGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1ccc(F)cc1 101158513 LMSJNXNIMMRKET-RGVLZGJSSA-N 314.320 2.355 50 40 DEGB Cc1ccc(NNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cc1Cl 46119812 FELVUFIEMZGDJD-GFCCVEGCSA-N 321.808 2.350 50 40 DEGB CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Cl)c1 11848491 TVLDRYDOHDKSIV-UHFFFAOYSA-N 305.783 2.105 50 40 DEGB C/C(CC(=O)NC(C)C)=N\NC(=O)c1cc(Cl)ccc1O 4904420 VPUPNXZOWDUMDX-RQZCQDPDSA-N 311.769 2.066 50 40 DEGB COc1ccc(NCC(=O)N/N=C/c2cccc(OC)c2)cc1 584109 JKDWHNIBZDCLIL-YBFXNURJSA-N 313.357 2.266 50 40 DEGB COc1cccc(C(=O)N/N=C/C(Cl)=C(\Cl)C(=O)O)c1 2753543 SQIAHZVUBGOWPU-YQRPYVQDSA-N 317.128 2.185 50 40 DEGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccccc1C(=O)O 5570616 VLBBYVJXCSSPKT-VXLYETTFSA-N 324.340 2.156 50 40 DEGB CCOCCC1(C(=O)NNC(=O)c2cc(C)oc2C)CCC1 89986760 KEJSVVYQJFYNCG-UHFFFAOYSA-N 308.378 2.254 50 40 DEGB CC(C)(C)C(=O)NNC(=O)c1ccc(Br)s1 28633861 WJVHVRQRDXLAKZ-UHFFFAOYSA-N 305.197 2.318 50 40 DEGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(N)=O 408862973 NXMRVYHKUAYBBU-DHDCSXOGSA-N 322.320 2.356 50 40 DEGB COc1cccc(/C=N/NC(=O)CNc2ccc(C)cc2)c1O 438310 SEZXNVPECVUOHV-VXLYETTFSA-N 313.357 2.271 50 40 DEGB O=C(N/N=C/C=C\c1ccccc1)NNC(=O)c1ccccc1 104064862 UPAMJTZMCKWTTO-NFDMFICESA-N 308.341 2.330 50 40 DEGB O=C(N/N=C/c1ccc(F)s1)c1n[nH]cc1Br 252488480 ISVORGALNVYUSR-KGVSQERTSA-N 317.143 2.137 50 40 DEGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1ccccc1O)C2 8336802 CJBDONUKUMBJDR-AWQFTUOYSA-N 323.396 2.475 50 40 DEGB COc1ccc(C(=O)N/N=C(\C)c2cccc(N)c2)cc1OC 4567779 UHLPONJBGTXUQD-YBFXNURJSA-N 313.357 2.440 50 40 DEGB C[C@H]1CN(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 27026208 RUPFHTLRSGLEJM-CUJVOCRZSA-N 315.329 2.138 50 40 DEGB O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1Cl)c1ccccn1 9315180 WYKRZKMHJXSJQA-RYUDHWBXSA-N 315.760 2.300 50 40 DEGB CN(CC1CCN(C(=O)CCl)CC1)C(=O)OC(C)(C)C 79408769 MHDWDVUNXOYZMA-UHFFFAOYSA-N 304.818 2.331 50 40 DEGB CC(C)CNC(=S)NNC(=O)c1ccccc1OC(F)F 8677698 CJYXAHFKXQSFOF-UHFFFAOYSA-N 317.361 2.053 50 40 DEGB N#C[C@@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 409194380 KOENJGCOTDAVSW-CLXYIWAZSA-N 308.297 2.352 50 40 DEGB O=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1ccco1 409140898 GRSWRXQCMVFLKX-WQRHYEAKSA-N 317.320 2.019 50 40 DEGB COc1cc(O)c2c(=O)oc(C[C@@H](O)C(Cl)Cl)cc2c1 67910584 RCUFLECOBNVNRE-SNVBAGLBSA-N 319.140 2.214 50 40 DEGB biogenic,in-vitro O=C(COc1cccc2cccnc12)N/N=C\c1cccnc1 409024780 WNNHBKPEKKKJFF-JAIQZWGSSA-N 306.325 2.159 50 40 DEGB Cc1ccc(OCC(=O)NNC(=O)c2ccccc2Cl)cc1 63744 DYCLBNGSQYIMBU-UHFFFAOYSA-N 318.760 2.488 50 40 DEGB N#Cc1ccccc1OCC(=O)N/N=C1/CCc2ccccc21 96708726 ZPUGBWCXDKWXTQ-SILNSSARSA-N 305.337 2.404 50 40 DEGB CC[C@@H](C)N(NC(C)=O)c1nc(Cl)nc(NC(C)C)n1 495048 JRFDUUAPPMQAOB-MRVPVSSYSA-N 300.794 2.001 50 40 DEGB C=CCNC(=O)CC(=O)N/N=C\c1ccc(C(C)(C)C)cc1 83262280 ABXMVYXNYMUYKG-UNOMPAQXSA-N 301.390 2.127 50 40 DEGB CC1=NN(c2ccccc2)C(=O)/C1=C\NNC(=O)c1ccccc1 16160690 VERUCXVHCBUOEW-VBKFSLOCSA-N 320.352 2.228 50 40 DEGB O=C(NCCc1ccccc1)C(=O)NN=C1CCCCCC1 59515828 HQNRHVZVUBLCCZ-UHFFFAOYSA-N 301.390 2.172 50 40 DEGB COC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2 248062 UNSNYPYRICSUAO-KRXBUXKQSA-N 310.103 2.258 50 40 DEGB CCNC(=O)[C@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 100868340 QUBGBAMKAQNKIG-HJIKLVIJSA-N 302.212 2.281 50 40 DEGB CC(C)O/C=C/[C@H](C)[C@]1(C#N)C(N)=C(C=O)[C@H](C)C1(C#N)C#N 2267893 VCSVNOWZBQTMRK-XNLBTGBOSA-N 312.373 2.166 50 40 DEGB COCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1Cl 97371583 LVSQKKKSKYUQGX-KPKJPENVSA-N 322.748 2.098 50 40 DEGB COc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1 581642 BNTQVCQPALXIDX-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB CCN(CC)c1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 20248702 NQCRSLOAMJOYBJ-XMHGGMMESA-N 316.449 2.469 50 40 DEGB OC[C@H](I)CC(F)(F)C(F)(F)F 72265672 HIYFWRNMQLCCPO-GSVOUGTGSA-N 303.996 2.370 50 40 DEGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccc(O)cc1)C[C@H]2O 245241368 BUACLTUPCYMJFI-OETXLQDWSA-N 316.401 2.420 50 40 DEGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])o1 86337 FSRNKSYGVUMTHV-GFCCVEGCSA-N 301.258 2.003 50 40 DEGB CC1(C)CC(=O)C=C(NNC(=O)c2ccc([N+](=O)[O-])cc2)C1 3899026 NMZAPRWOISSUIJ-UHFFFAOYSA-N 303.318 2.102 50 40 DEGB C=CCNC(=O)CC(=O)N/N=C\c1cccc(Cl)c1Cl 59444503 HXWJUUCHOHOFLW-IUXPMGMMSA-N 314.172 2.136 50 40 DEGB COC(=O)[C@@H](CCCBr)NC(=O)OC(C)(C)C 306577868 LUZVFJDTKGGUTQ-MRVPVSSYSA-N 310.188 2.228 50 40 DEGB COc1ccccc1[C@@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2 409148922 UMJWNEYMHAYQHL-MRXNPFEDSA-N 309.369 2.425 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(C(=O)O)cc1 33431831 WGNIVFFNEONZKF-ZDLGFXPLSA-N 300.289 2.217 50 40 DEGB CCCCOc1cccc(C(=O)NNC(=O)c2ccncc2)c1 5978442 SCDZDQPXILAZLD-UHFFFAOYSA-N 313.357 2.335 50 40 DEGB CC(=O)O[C@@H]1C[C@H](C(C)(C)O)O[C@H]2CCC(C)=C(C=O)[C@@]21C 252516146 QHQQEOALGKVLKJ-HWMZRRJGSA-N 310.390 2.162 50 40 DEGB biogenic,in-vitro CC(=O)/C(C#N)=C1/NC(=O)[C@@H](Cc2ccccc2Cl)S1 16661280 XNOIMYBKTJAXCD-XTCQQWIJSA-N 306.774 2.438 50 40 DEGB CCC(=O)NNC(=O)CSc1nc2ccccc2cc1CC 4849254 LSKYOOQCYKHUBI-UHFFFAOYSA-N 317.414 2.447 50 40 DEGB COc1ccccc1N[C@H]1SC(=O)N(CCCl)C1=O 36626568 ZSSWPSLGWOPNLH-JTQLQIEISA-N 300.767 2.367 50 40 DEGB O=C(NNc1ccc([N+](=O)[O-])cn1)Nc1ccc([N+](=O)[O-])cc1 17302447 CYYLTLJPKIONGI-UHFFFAOYSA-N 318.249 2.047 50 40 DEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1F 81885 YOUZNVJSVDLWRC-CYBMUJFWSA-N 306.268 2.219 50 40 DEGB CCOC(=O)NN(C(=O)OCC)[C@H](C(C)=O)c1ccccc1 1587974 GJXKRUABOKQGPQ-CYBMUJFWSA-N 308.334 2.436 50 40 DEGB O=C(NNc1ncnc2ccccc12)c1cccc([N+](=O)[O-])c1 6935911 JKGINOKXZMJSQP-UHFFFAOYSA-N 309.285 2.295 50 40 DEGB C[C@](F)(Br)C(=O)OC(=O)[C@](C)(F)Br 885164236 XRYRHZIWGDLFSB-OLQVQODUSA-N 323.915 2.217 50 40 DEGB O=C(N/N=C/c1ccc(Br)o1)[C@@H](O)c1ccccc1 487240 ROXYAJWKHDZBDO-AAWHYMEISA-N 323.146 2.226 50 40 DEGB C=CCN1C(=O)/C(=N\NC(=O)OC(C)(C)C)c2ccccc21 100820248 UTDYRUWSNBSONJ-LGMDPLHJSA-N 301.346 2.448 50 40 DEGB O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccccc1F 2726132 WQOARHLHNMHXLH-UHFFFAOYSA-N 322.723 2.319 50 40 DEGB CN(C)/C=C(\C#N)C(=O)N/N=C/c1ccc(Cl)cc1Cl 3190046 PONOFBGBVFTSDM-UKNPCATOSA-N 311.172 2.413 50 40 DEGB O=C(Cc1cccc2ccccc12)NNc1ncnc2[nH]cnc12 16758177 ZRNUUYKQENWWHE-UHFFFAOYSA-N 318.340 2.192 50 40 DEGB CC/C(=N/NC(=O)c1cc(O)cc(O)c1)c1ccc(O)cc1 55071900 QHTYTQSQISHSNY-ICFOKQHNSA-N 300.314 2.348 50 40 DEGB Cc1cccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n1 25121359 DTNSUESFGBIILE-UHFFFAOYSA-N 313.401 2.367 50 40 DEGB CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(C)cc2)c1 14118099 WXXRHUFRODZFDE-UHFFFAOYSA-N 311.341 2.028 50 40 DEGB Cc1occc1C(=O)NNC(=O)c1cc(C)n(C2CC2)c1C 30060934 LKEZBOWLWNXMNQ-UHFFFAOYSA-N 301.346 2.416 50 40 DEGB Cc1ccc(C(=O)NC(=S)NNC(=O)c2cccs2)cc1 6501908 GZWMKSVNZMZKBF-UHFFFAOYSA-N 319.411 2.006 50 40 DEGB O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 31777743 GSYBZWGFOONKKQ-PXNMLYILSA-N 313.269 2.087 50 40 DEGB Cc1nn(-c2ccccc2)cc1/C=N/NC(=O)c1cccnc1 226806125 XURROGHWKGBYHE-YBFXNURJSA-N 305.341 2.340 50 40 DEGB CC[C@@H](N(C)C)N1/C(=C(\C#N)C(=O)OC)Nc2ccccc21 255188007 IGPHFWDDHUDYRN-AYYGCFCKSA-N 300.362 2.124 50 40 DEGB COc1cccc(C(=O)N/N=C/c2ccc(OC(C)=O)cc2)c1 169878622 NQOXVLDBXBZUEK-WOJGMQOQSA-N 312.325 2.384 50 40 DEGB C=CCNC(=O)CC(=O)N/N=C/c1c(Cl)cccc1Cl 59515335 PADPEJHENKWFJO-CAOOACKPSA-N 314.172 2.136 50 40 DEGB CCCC[C@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1 2194305 ZMFSHJMWRKJXOQ-JSGCOSHPSA-N 320.389 2.365 50 40 DEGB C=CCOc1cccc(/C=N/NC(=O)CN2CCCCC2)c1 4211259 DZNGLSYIFRQYRG-QGOAFFKASA-N 301.390 2.187 50 40 DEGB N#C/C(=C\c1cc(Cl)ccc1OC[C@H]1CCCO1)C(N)=O 96435648 VIWZIRVDLOWTOT-ASJRZHAZSA-N 306.749 2.290 50 40 DEGB O=C1OC(=O)c2ccccc2/C1=N/Nc1ccc(Cl)nc1 100908471 JSIMDRHJYGQGQI-PDGQHHTCSA-N 301.689 2.248 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1C(=O)O 59484966 VSGDALZMGLQXPG-VCHYOVAHSA-N 312.325 2.466 50 40 DEGB C[C@H]1CCC/C(=N\NC(=O)C(=O)N/N=C2\CCC[C@@H](C)C2)C1 5527960 YZOLEUJPTISMDY-LRYOVFEKSA-N 306.410 2.351 50 40 DEGB O=C(CCl)c1cc(C(=O)CCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 4265846 ZESDDMZTOGHBBG-UHFFFAOYSA-N 321.072 2.346 50 40 DEGB biogenic CCOc1cccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c1 44023091 VDVQVNWFJRQYCI-IDJPSDCMSA-N 300.358 2.287 50 40 DEGB Cc1nn(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1Cl 253402955 PDCXSZBHWLGRQD-LLVKDONJSA-N 318.764 2.197 50 40 DEGB COc1ccc(/C=N\NC(=O)COc2ccccc2)c(OC)c1 5513249 BSRNQJCGCCIZFW-WQRHYEAKSA-N 314.341 2.233 50 40 DEGB COc1cccc(C(=O)N/N=C/c2ccccc2OCC#N)c1 59147122 KDBMQUGGSBYOPN-XDHOZWIPSA-N 309.325 2.361 50 40 DEGB COc1ccccc1/C=C/C(=O)NNC(=O)c1ccc(C)cc1 516508 AAQWFSPZWLQVRM-VAWYXSNFSA-N 310.353 2.478 50 40 DEGB O=C(CCC(=O)c1cccs1)NNC(=O)c1cccs1 6451783 HWODMEXTLBNFQN-UHFFFAOYSA-N 308.384 2.234 50 40 DEGB N#CCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408719683 JQXJRKZXJGTVTP-XDHOZWIPSA-N 307.309 2.270 50 40 DEGB O=C(NNC(=O)c1cccnc1Cl)c1ccc(Cl)cc1 568841 VIIMTIYUOAFZBG-UHFFFAOYSA-N 310.140 2.463 50 40 DEGB CC[C@H](C(=O)NN)N1c2cc(OC)ccc2C(C)=CC1(C)C 223202081 DTCLNQHBILOIMU-CQSZACIVSA-N 303.406 2.466 50 40 DEGB Cc1ccc(COc2ccc([N+](=O)[O-])cc2C(=O)NN)cc1 226319416 YSPIHWGTNBYDAK-UHFFFAOYSA-N 301.302 2.086 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc(C)cc1 96519107 HFKALVLTLHZKJA-WDEREUQCSA-N 307.209 2.184 50 40 DEGB CCOC(=O)NNC(=O)c1cccc2c3c([nH]c12)CCCC3 32795751 FQXKMHRCWIBVPO-UHFFFAOYSA-N 301.346 2.438 50 40 DEGB O=C(/C=C/c1ccc2c(c1)CCO2)NNC(=O)c1cccs1 28776225 UWBBYRAXQLLBLU-GQCTYLIASA-N 314.366 2.157 50 40 DEGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)CC(=O)N1 9109983 DISSYYGWHCFQJY-GFCCVEGCSA-N 316.382 2.240 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 361611 MFCVYEIVUBKSQA-OVCLIPMQSA-N 303.274 2.025 50 40 DEGB COc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1 409122682 ATJBTRRBYPLYII-MRXNPFEDSA-N 309.369 2.425 50 40 DEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(O)cc1 409262220 DICAUOAKYYSGRB-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB O=C(Cl)c1cn([C@H]2CCS(=O)(=O)C2)c2c1CCCC2 64864545 UYVPJODMRSNZCM-VIFPVBQESA-N 301.795 2.106 50 40 DEGB NNC(=O)c1cnc(-c2ccc(Cl)cc2)nc1N1CCCC1 223459766 VHUFRQPOFMBBQS-UHFFFAOYSA-N 317.780 2.001 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1 123694 YOQJEZKIRDCCPQ-VCHYOVAHSA-N 311.341 2.245 50 40 DEGB Cc1ccc(N2C[C@H](NC(=O)C(C)(C)CCl)CC2=O)cc1 5193595 ODVIIDDUEHXJPF-GFCCVEGCSA-N 308.809 2.482 50 40 DEGB COc1ccc(C(=O)NNC(=O)c2ccccc2C)cc1OC 323951 XILXJVFRRHZESE-UHFFFAOYSA-N 314.341 2.087 50 40 DEGB O=C1OC(=O)[C@H]2[C@@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 100494303 FJDLXLHNYCLTEA-QXLRJHSISA-N 301.940 2.364 50 40 DEGB COc1ccc(/C=C/C(=O)NN)cc1OCc1ccc(F)cc1 216900745 UJIYSQUHHLJKKA-WEVVVXLNSA-N 316.332 2.416 50 40 DEGB COc1ccccc1C(=O)NNC(=O)c1ccccc1Cl 290225 DABQRQCLPUUXHA-UHFFFAOYSA-N 304.733 2.423 50 40 DEGB CCCCCCCC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 100980664 WFNJWOIMLKOISB-OLZOCXBDSA-N 312.410 2.385 50 40 DEGB O=C(NC[C@@H]1CCCO1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 64911865 JLDGDQBFYSJFQL-RLUZFEIMSA-N 318.333 2.072 50 40 DEGB N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)N1CCOCC1 96476375 GYWBGQPZVUZCKM-SSZFMOIBSA-N 311.385 2.053 50 40 DEGB CC(=O)/C(C)=N/NC(=O)Cc1ncc(C(F)(F)F)cc1Cl 100917771 DTYSLARTQNUFHN-NGYBGAFCSA-N 321.686 2.377 50 40 DEGB CN(C(=N)N)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1730018 KOWXMWCYXKHZKF-UHFFFAOYSA-N 314.301 2.144 50 40 DEGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(C)c2C)c1 582737 STDDMWADKVFOBE-VCHYOVAHSA-N 315.373 2.423 50 40 DEGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 1948686 NGQDYOFOAXQNEK-OQLLNIDSSA-N 314.257 2.267 50 40 DEGB O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccccc1F 3085302 FUQYJGHZRZLIER-KEBDBYFISA-N 324.315 2.396 50 40 DEGB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNC(=O)c1ccco1 24923469 QGWJFGNZZVDZMX-JTQLQIEISA-N 322.748 2.470 50 40 DEGB COc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1 290227 JLDRQHAAGCMLGS-UHFFFAOYSA-N 304.733 2.423 50 40 DEGB NNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 247905 CFPSZBWHDQBUBU-UHFFFAOYSA-N 315.398 2.483 50 40 DEGB O=C(N/N=C/c1cccc(Cl)c1)C(=O)NC1CCCCC1 59505936 GITVKXBRWIRUQR-LICLKQGHSA-N 307.781 2.239 50 40 DEGB CCCCNC(=O)/C(C#N)=C/N1CCN(c2ccccc2)CC1 7572361 MBPYDHXWGXQGNM-FOCLMDBBSA-N 312.417 2.132 50 40 DEGB CCCCCCCCC(=O)NNC(=S)NC[C@@H]1CCCO1 97941817 VYQJJSAITXSTAV-ZDUSSCGKSA-N 315.483 2.411 50 40 DEGB COc1ccc(/C=N/NC(=O)[C@H](C)n2nnc3ccccc32)cc1 174583 QFCFXHRNPUCHLA-HWQJWEFDSA-N 323.356 2.151 50 40 DEGB Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1 146474 LQFGVGGCAOXDGZ-UHFFFAOYSA-N 324.789 2.272 50 40 DEGB COc1c(O)ccc(/C=N/NC(=O)c2ccccc2)c1[N+](=O)[O-] 3044761 WIQGDMQXNGOTIV-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB C/C(=N\NC(=O)CNc1ccccc1C)c1ccc(O)cc1O 18202711 SJJYJOHERHETDE-XDHOZWIPSA-N 313.357 2.359 50 40 DEGB CCOc1ccc(C(=O)OC)cc1NC(=O)CBr 72226450 FPDKZEXSAUIHNN-UHFFFAOYSA-N 316.151 2.205 50 40 DEGB Cn1cccc1CC(=O)N/N=C\c1ccc(Br)cc1 32576893 MQYLGYVFWMEXJO-YBEGLDIGSA-N 320.190 2.480 50 40 DEGB CCS(=O)(=O)[C@H](Br)C(=O)c1ccc(F)cc1 96517883 OMXNKKLFJSNVKH-JTQLQIEISA-N 309.156 2.164 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 584750 PAGWAOUFVVJRJA-GIJQJNRQSA-N 312.325 2.253 50 40 DEGB CN1C(=O)/C(=C(/C#N)C(=O)NC2CCCCC2)c2ccccc21 140458844 LSGVXQOYHOFGLM-PEZBUJJGSA-N 309.369 2.389 50 40 DEGB Cc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 7782113 VKRJDTCFTKVDFH-ONDHQXCVSA-N 309.369 2.323 50 40 DEGB ClCC1=N[C@@H]2[C@@H](N1)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]2Cl 104159912 RFQYQSNQRAXEJB-QXFQYNETSA-N 310.439 2.407 50 40 DEGB Cc1ccccc1OCC(=O)NN=Cc1ccc([N+](=O)[O-])o1 254567677 URWMJADWIKJDIQ-UHFFFAOYSA-N 303.274 2.025 50 40 DEGB O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCS(=O)(=O)C1 42000017 SVXIPOHPBHYLCM-WDEREUQCSA-N 323.505 2.004 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)CSc1ccc(Cl)cc1 104808573 SCDZEPZSQGFTAU-XFXZXTDPSA-N 324.789 2.301 50 40 DEGB CCc1ccc(OCC(=O)NNC(=O)Cc2cccs2)cc1 3483419 CGQDVBFFIYWATD-UHFFFAOYSA-N 318.398 2.079 50 40 DEGB COc1ccc(C)cc1-n1c(C)cc(/C=N/NC(N)=O)c1C 217037687 XIHJPBATDWJVLH-GIJQJNRQSA-N 300.362 2.413 50 40 DEGB C/C(=N/NC(=O)CNC(=O)c1ccco1)c1ccc(Cl)cc1 13766018 BHTGUURNOJHSPL-ZDLGFXPLSA-N 319.748 2.203 50 40 DEGB O=C(NNC(=O)c1cc(Cl)ccc1Cl)c1ccncc1 138184 GNYWGWKRQZKXDC-UHFFFAOYSA-N 310.140 2.463 50 40 DEGB Cn1cc(C(=O)NNC(=O)[C@H]2C[C@H]2c2ccco2)c2ccccc21 84314274 LPQZHZUCMDIILW-OLZOCXBDSA-N 323.352 2.336 50 40 DEGB COc1cccc2cc(C(=O)NNC(=S)NC(C)(C)C)oc12 75875081 JNPLUYKZLBFJNW-UHFFFAOYSA-N 321.402 2.349 50 40 DEGB CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CCl 79392478 DIDMFJAMLAUGGW-NSHDSACASA-N 304.818 2.473 50 40 DEGB Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccs2)cc1C 4079649 WPUAYWOFOBRTRK-GIJQJNRQSA-N 315.398 2.245 50 40 DEGB O=C(NNP1NN=C(c2ccccc2)O1)c1ccccc1 5602704 WYZVTRREPUMREM-UHFFFAOYSA-N 300.258 2.130 50 40 DEGB Cc1ccsc1/C=N/NC(=O)[C@H]1COc2ccccc2O1 3475584 FTDZISWPVSPFKL-WJHGTXIHSA-N 302.355 2.347 50 40 DEGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccccn2)c(O)c1 19850404 WHSPCQCHUNSIGE-UNOMPAQXSA-N 312.373 2.397 50 40 DEGB O=C(N/N=C/c1ccccc1O)c1cccc(Cn2cccn2)c1 6222251 WLAYBWNUPSOMIR-XDHOZWIPSA-N 320.352 2.401 50 40 DEGB Cc1cc(/C=C(\C#N)C(=O)NCCCn2ccnc2)cc(C)c1O 2695918 IMGYKVTWSHKMIH-MHWRWJLKSA-N 324.384 2.319 50 40 DEGB CCOc1cc(/C=C(/C#N)C(=O)NCc2cccnc2)ccc1O 227246 HJZQXJOCSWICAN-NVNXTCNLSA-N 323.352 2.409 50 40 DEGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccn1 523535 IKVVCAHHPQXNLY-RQZCQDPDSA-N 312.354 2.465 50 40 DEGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1ccccn1 100527398 YZHSDKOZLVOGDU-RGVLZGJSSA-N 314.320 2.355 50 40 DEGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1ccccc1C 4610805 VUUWAFQXDMBBTJ-CPNJWEJPSA-N 313.357 2.400 50 40 DEGB CCOC(=O)CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 409123988 JOFVPIXQFWFGPE-SECBINFHSA-N 322.411 2.383 50 40 DEGB CC(C)=NNC(=O)CSc1nc(C)cc(N2CCCCC2)n1 495765 NCOKYGUWUWUKAX-UHFFFAOYSA-N 321.450 2.379 50 40 DEGB C[C@@](N)(CCP(=O)(c1ccccc1)c1ccccc1)C(=O)O 524455 BHIDKKUEQPKAJP-QGZVFWFLSA-N 317.325 2.193 50 40 DEGB Cc1cccc(N(NC(=O)C(C)(C)O)C(=O)c2ccccc2)c1 520114 INFVRTRIZNWRSP-UHFFFAOYSA-N 312.369 2.444 50 40 DEGB C/C(=N\NC(=O)c1ccncc1)c1ccc(-n2ccnc2)cc1 5071332 ABPPCVIIIYDCMC-DEDYPNTBSA-N 305.341 2.421 50 40 DEGB CCc1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)nc1 36178021 IGDYEXXRPPGJGG-RQZCQDPDSA-N 314.301 2.022 50 40 DEGB CCc1n[nH]c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 5095153 NMYUGBCHUUBMKB-GFCCVEGCSA-N 311.301 2.098 50 40 DEGB COc1cc(/C=N/NC(C)=O)ccc1OC(=O)c1cccs1 1098846 VRFPNEPOUJFHBX-CXUHLZMHSA-N 318.354 2.446 50 40 DEGB CC(C)N1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21 6459524 FVLQZXFUSBZDTH-MNDPQUGUSA-N 323.352 2.281 50 40 DEGB CCOC(=O)[C@H]1CCC/C1=N\NC(=O)[C@H](OC)c1ccccc1 408719717 KQVXPYBHBIHHLE-NJMSJUBMSA-N 318.373 2.210 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2ccc(C)o2)c([N+](=O)[O-])c1 238141 OFBXKKLTZPQZKJ-LZYBPNLTSA-N 317.301 2.334 50 40 DEGB CCn1nc(C)c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C 372601 REXKKZDXOGCOCK-CAOOACKPSA-N 314.345 2.012 50 40 DEGB CC(C)O/C=C/[C@H](C)[C@@]1(C#N)C(N)=C(C=O)[C@@H](C)C1(C#N)C#N 20790404 VCSVNOWZBQTMRK-CHDFDMEVSA-N 312.373 2.166 50 40 DEGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccco1 1427256 YEHYITFWIFZXFW-AWEZNQCLSA-N 319.320 2.350 50 40 DEGB CN1CCC(=NNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 408864137 UALKBRZSAUHNBC-UHFFFAOYSA-N 310.741 2.060 50 40 DEGB CSc1ccc(/C=N\NC(=O)CC(=O)NCC(C)C)cc1 408978282 HRXQRTLJXIGKBU-YVLHZVERSA-N 307.419 2.021 50 40 DEGB CS(=O)(=O)[C@@H](Br)[C@@H](O)c1cccc(Cl)c1 96518999 PCLKHLNKUDAQCH-DTWKUNHWSA-N 313.600 2.139 50 40 DEGB Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)NN)c12 12394440 QFRARDDQPNWSHM-UHFFFAOYSA-N 315.764 2.201 50 40 DEGB CCCCCCCC(=O)NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O 100980666 WFNJWOIMLKOISB-STQMWFEESA-N 312.410 2.385 50 40 DEGB CCCCn1c(CCl)nc2cc(S(N)(=O)=O)ccc21 3351137 LSGNYXUGRRBBCW-UHFFFAOYSA-N 301.799 2.223 50 40 DEGB O=C(N/N=C/c1ccc(O)cc1)/C(=C/c1ccccc1)CCO 2302286 IBRKJXKPGPEGHE-BLAZZTHISA-N 310.353 2.308 50 40 DEGB C/C(=N/NC(=O)COc1cccc(C)c1)c1cc(O)ccc1O 15161859 GTUOXIICVJFAKV-PDGQHHTCSA-N 314.341 2.325 50 40 DEGB O=C(NC[C@H]1CCN(C(=O)CCl)C1)OCc1ccccc1 79411736 CHKLUCBMTYJWMP-CYBMUJFWSA-N 310.781 2.000 50 40 DEGB C[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccccc1F 2726481 NNAUDFLRMSBIBH-NSHDSACASA-N 302.305 2.054 50 40 DEGB C#CCOc1cccc(/C=N/NC(=O)CNC2CCCCC2)c1 409382904 XOWYDVJGMZTADH-DEDYPNTBSA-N 313.401 2.071 50 40 DEGB O=C(CCS(=O)(=O)C(Cl)Cl)OCc1ccccc1 3200496 QNNUFGTZOSLNLD-UHFFFAOYSA-N 311.186 2.296 50 40 DEGB COCC(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)cc1C 4613834 DIHXIPJOYUAJKX-LICLKQGHSA-N 311.769 2.116 50 40 DEGB NC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409384072 ZFQIJEKKXQYPMK-OMCISZLKSA-N 307.693 2.300 50 40 DEGB COc1c(C)cccc1C(=O)N/N=C1/C(=O)Nc2ccccc21 6055932 MFGKSFQVPGTSEM-UHFFFAOYSA-N 309.325 2.090 50 40 DEGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(N(C)C)o2)c1 582073 AQHLAKTXUQNMHQ-LICLKQGHSA-N 317.345 2.127 50 40 DEGB COc1ccc(CC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 5334022 BAIRWSOUHMKMJM-CPNJWEJPSA-N 311.385 2.454 50 40 DEGB N#CC1=C(Br)N=C(c2ccccc2)[C@@H](C#N)[C@@H]1N 78549783 YYYHKCSPQSDZGH-ONGXEEELSA-N 301.147 2.086 50 40 DEGB Cc1cccc(OCC(=O)N/N=C\c2ccc(O)cc2O)c1C 8559154 IYQCKKJBUDZTMW-NVMNQCDNSA-N 314.341 2.244 50 40 DEGB CC[C@H](C(=O)NNC(=O)c1ccccc1)c1c(C)noc1C 75126529 AYCVUDUGIMVWHE-ZDUSSCGKSA-N 301.346 2.246 50 40 DEGB C=C(CI)CI 114657979 KKENSJFXVZBMFL-UHFFFAOYSA-N 307.900 2.413 50 40 DEGB C=CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 3570529 PUCDYSKIZDBCBY-GSPCDJLXSA-N 312.369 2.454 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2ccc(O)c(O)c2)cc1C 526668 UBDGUBJLZDAEOX-GIJQJNRQSA-N 314.341 2.244 50 40 DEGB CCc1ccc(C[C@H]2S/C(=C(/C#N)C(C)=O)NC2=O)cc1 13120124 IEPIEQKNJGOACF-UMWKZLPKSA-N 300.383 2.347 50 40 DEGB C/C(CC(=O)NC1CCCCCC1)=N\NC(=O)c1ccncc1 101159692 JJUQBPBXUUIUPZ-DEDYPNTBSA-N 316.405 2.416 50 40 DEGB C[C@H]1CN(c2ccc(CNC=C(C#N)C#N)cc2F)C[C@H](C)O1 55008523 ZNMCDKLFYKCWEU-STQMWFEESA-N 314.364 2.460 50 40 DEGB CCOc1cc(/C=N/NC(C)=O)cc(Br)c1O 6647671 AXDADAOOSRFPNF-AWNIVKPZSA-N 301.140 2.023 50 40 DEGB C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccncc1 20347484 LXQTUJYTTIWCPL-CQSZACIVSA-N 313.382 2.437 50 40 DEGB Cc1cccc(NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1 4739493 ZRJGVBZIPYRNBS-VCHYOVAHSA-N 312.329 2.465 50 40 DEGB O=C(CN1CCCCC1)N/N=C/c1ccc(Br)cc1 3158097 PZDBYXOFLAEBOZ-MHWRWJLKSA-N 324.222 2.385 50 40 DEGB N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccco1 5769655 FACMXQLQJQRVGP-ZRDIBKRKSA-N 313.313 2.255 50 40 DEGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccccn1 12346840 OPSOTFKPKBZBPI-UHFFFAOYSA-N 310.140 2.463 50 40 DEGB C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(O)cc1O 13966953 UNMNLFJMXNCDRI-WOJGMQOQSA-N 313.357 2.318 50 40 DEGB Cc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1 585576 IXRPMVJNKVDJFX-UHFFFAOYSA-N 318.760 2.488 50 40 DEGB Cc1nc(C)c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1 62751 RYJXMPUWOWQDSW-VGOFMYFVSA-N 304.331 2.432 50 40 DEGB O=C(CC[C@H]1CCCCC12OCCO2)N/N=C/c1cccnc1 321778 QFQWEQWGTDZQNQ-DQPIFXJKSA-N 317.389 2.245 50 40 DEGB COC(=O)/C(O)=C1\C(=O)[C@@]2(C)CC[C@H]1[C@]2(C)CBr 106047907 VWPNDMWKMFEUNP-FQBOIZNLSA-N 317.179 2.372 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1Cl 253445834 IBQYNNVFZZHKQN-XYOKQWHBSA-N 306.749 2.114 50 40 DEGB COc1cc(/C=N/NC(=O)c2ccccc2N)cc(Cl)c1O 573273 QDSQLWONCWYAPU-QGMBQPNBSA-N 319.748 2.400 50 40 DEGB CC(C)OC(=O)NN(C(=O)OC(C)C)C(=O)c1ccccn1 100637947 LPCMCBXAHCJWFP-UHFFFAOYSA-N 309.322 2.118 50 40 DEGB Cn1cc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 20817404 RDJSEWPRUXYNGK-GIJQJNRQSA-N 300.406 2.477 50 40 DEGB Cc1cccc(OCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)c1 11582337 ZOCOMNRSWQSSKQ-UHFFFAOYSA-N 313.313 2.432 50 40 DEGB CCOC(=O)NNC(=O)c1ccc(-n2cnc3ccccc32)cc1 21772039 DDNMHLLFWDMKLM-UHFFFAOYSA-N 324.340 2.416 50 40 DEGB CS(=O)(=O)[C@H](Cl)C(=O)c1ccc(Br)cc1 96517747 ZLYHNACWQRJCHV-VIFPVBQESA-N 311.584 2.241 50 40 DEGB Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccccc2)cc1 251332 ZZTIZZKLVOVNBX-UHFFFAOYSA-N 305.359 2.010 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1 498126 IKNPTZRQNQBBQE-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(O)c1 59101659 QBXVIJPIQFJAGT-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB CCCC[C@@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1 2194310 ZMFSHJMWRKJXOQ-TZMCWYRMSA-N 320.389 2.365 50 40 DEGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccccc1 408765572 MIMWJTKHVDEHAZ-GXDHUFHOSA-N 321.336 2.096 50 40 DEGB COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c1 8114317 XILWUHFMDZHVAC-DORSJAEJSA-N 323.352 2.461 50 40 DEGB ClCCN(CCCl)c1ccc(/C=N\n2cnnc2)cc1 1694087 GTMFLJBQVXFCGY-NVMNQCDNSA-N 312.204 2.444 50 40 DEGB C/C(=N/NC(=O)Cc1cccn1C)c1cccc([N+](=O)[O-])c1 73570 XQONUYONOFYBQO-WJDWOHSUSA-N 300.318 2.016 50 40 DEGB CCOC(=O)/C(C#N)=C/c1ccc(SCCO)c([N+](=O)[O-])c1 6954559 ZEHLGGJKFNSACC-YRNVUSSQSA-N 322.342 2.149 50 40 DEGB COC(=O)[C@@H]1C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 100019338 YNHAMFHSZCNLPH-SYQHCUMBSA-N 324.218 2.443 50 40 DEGB COc1cc(OC)c(C(=O)N/N=C/c2ccoc2)cc1OC 15934305 GVCGKDULUZNIPI-LZYBPNLTSA-N 304.302 2.069 50 40 DEGB CC(=O)N1CCN(C(=O)CCCC[C@H]2CCSS2)CC1 79487724 IFMJEAVFTGSMAD-ZDUSSCGKSA-N 316.492 2.391 50 40 DEGB CCN1C(=O)/C(=N/NC(=O)c2ccc(C)cc2)c2ccccc21 135750983 UJMGUHORCAVNCF-KNTRCKAVSA-N 307.353 2.496 50 40 DEGB C[C@@H]1CCCCN1c1c(Cl)cc(C(=O)NN)cc1[N+](=O)[O-] 226242450 UOPYSGDUKOMREU-MRVPVSSYSA-N 312.757 2.231 50 40 DEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C\c1ccccc1F 13112132 XFPGSEOZTTWYKW-YVLHZVERSA-N 301.277 2.427 50 40 DEGB C=CCc1cc(/C=N/NC(=O)CC#N)cc(OCC)c1OC 573094 JEFZJFGOGZEJJW-WOJGMQOQSA-N 301.346 2.186 50 40 DEGB COc1ccc([C@H]2C(C#N)=C(N)Sc3[nH]c(=O)sc32)cc1 96319018 ZZJUOTREWRVVLD-JTQLQIEISA-N 317.395 2.376 50 40 DEGB O=C(CSCCc1ccccc1)NNC(=O)c1ccco1 31491958 XPQADFDJDSCEBF-UHFFFAOYSA-N 304.371 2.017 50 40 DEGB Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(C(=O)O)cc1 32125476 GFAFEGLORFQEGP-ZDLGFXPLSA-N 322.324 2.105 50 40 DEGB C[C@H]1CN(C(=O)CCl)CCN1C(=O)OCc1ccccc1 79419923 UBWQVLOKGBWWBD-LBPRGKRZSA-N 310.781 2.095 50 40 DEGB O=C(N/N=C/c1ccccc1)C(=O)Nc1cccc(Cl)c1 7782068 XUBLSVPFQLNJQH-LICLKQGHSA-N 301.733 2.429 50 40 DEGB O=C(NNc1ncccn1)c1cccnc1Oc1ccccc1 44716654 INDHCAOZLOMEPF-UHFFFAOYSA-N 307.313 2.421 50 40 DEGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1 83254597 WYKGJROJMBRVHG-BOPFTXTBSA-N 313.313 2.383 50 40 DEGB CCn1ncc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1F 252498399 RBDCNFNOIBRFRX-QEHPPJGSSA-N 300.337 2.296 50 40 DEGB C/C(NCc1cccnc1)=C(\C#N)C(=O)NCc1ccccc1 507208 HHNLAFPJZMKBRQ-VKAVYKQESA-N 306.369 2.285 50 40 DEGB N#C/C(=C/c1cc(Br)c2c(c1)OCCCO2)C(N)=O 49391031 JPAPFDARFYQJCX-WTKPLQERSA-N 323.146 2.003 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)o2)cc1OC 408988429 DLQBIYSWRCQBDV-LICLKQGHSA-N 317.345 2.127 50 40 DEGB O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1O 5171955 AMTUTEINMAMDAZ-UHFFFAOYSA-N 314.385 2.370 50 40 DEGB O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)C1CC1 17030893 PEFDKWSDIZQZIQ-UHFFFAOYSA-N 303.309 2.433 50 40 DEGB O=C(Cc1cn2ccsc2n1)N/N=C1/CCc2ccccc21 97991637 GLOIIASKLSIUTF-JXAWBTAJSA-N 310.382 2.405 50 40 DEGB CC(=O)O[C@@H]1C[C@H](C(C)(C)O)O[C@H]2CCC(C)=C(C=O)[C@]21C 252516147 QHQQEOALGKVLKJ-KLZNWCGWSA-N 310.390 2.162 50 40 DEGB biogenic,in-vitro O=C(CCC(=O)c1cccs1)NNC(=O)c1ccccc1F 8274631 SOXFOKOZUVVFNL-UHFFFAOYSA-N 320.345 2.311 50 40 DEGB Cc1nc2ccccc2c(C)c1CC(=O)NNC(=O)c1ccco1 9221162 FQEMMWAENCVDNI-UHFFFAOYSA-N 323.352 2.448 50 40 DEGB CC(C)(C)[C@@H](NC(=O)C1CCC(Cl)CC1)c1nc(=O)o[nH]1 1528509918 RNAIQYDAPKHMMT-RTBKNWGFSA-N 315.801 2.364 50 40 DEGB CCCCOc1ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc1 5466167 UXZQBRYMQMMSSC-XDHOZWIPSA-N 319.405 2.088 50 40 DEGB C[C@H](Br)CN1CCN(C(=O)OC(C)(C)C)CC1 79045038 PHGYKWDQXCLUSF-JTQLQIEISA-N 307.232 2.323 50 40 DEGB COc1cc(/C=N/NC(=O)c2cccs2)cc([N+](=O)[O-])c1O 36289740 PVJVEWOFMPQPSM-VGOFMYFVSA-N 321.314 2.134 50 40 DEGB CC[C@@H](Br)C(=O)Nc1ccc([N+](=O)[O-])cc1O 61997499 GQYWLPVPUQTHTI-SSDOTTSWSA-N 303.112 2.412 50 40 DEGB CCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1 2194307 ZMFSHJMWRKJXOQ-GXTWGEPZSA-N 320.389 2.365 50 40 DEGB O=C(NNC(=O)c1ccoc1)c1ccc(Br)cc1 12782161 NVQDXQWAUMAKEX-UHFFFAOYSA-N 309.119 2.117 50 40 DEGB CSc1ccccc1C(=O)NNC(=O)c1ccccc1O 7777304 KRHOKQVXBIMEEM-UHFFFAOYSA-N 302.355 2.189 50 40 DEGB Cc1cc(C)c(S(=O)(=O)NNC(=O)c2ccccc2)cc1C 41105664 BVTBAPRTSPOBEB-UHFFFAOYSA-N 318.398 2.235 50 40 DEGB N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)N1CCOCC1 559959 KFMALEWAPKCTPU-WYMLVPIESA-N 315.373 2.036 50 40 DEGB Cc1ccc(C(=O)N[C@H](C(Cl)Cl)N2CCOCC2)cc1 3155678 XJUSWLPXLBFNBT-ZDUSSCGKSA-N 317.216 2.187 50 40 DEGB O=C(NNc1ccc(F)cc1)c1cn(Cc2ccccc2)nn1 73461035 AKYWEGLNDFMWQS-UHFFFAOYSA-N 311.320 2.222 50 40 DEGB C[C@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)CCl 79419928 QFAKUHIECPNRIO-LBPRGKRZSA-N 310.781 2.095 50 40 DEGB CCN(CC)c1ccc(/C=C/C(=O)NN)cc1Br 216884642 OHPFTOQYFHLMEF-SOFGYWHQSA-N 312.211 2.298 50 40 DEGB Cc1cc(C)nc(SC/C(=N\NC(N)=O)c2ccccc2)n1 33319161 CIBZLLBVYXADCM-CPNJWEJPSA-N 315.402 2.258 50 40 DEGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(O)cc(O)c1 17053062 RTWQWEYXLPMJQX-CXUHLZMHSA-N 315.285 2.160 50 40 DEGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc2c(c1)OCO2 478740 KAPHWSAKLNKNLY-GIJQJNRQSA-N 322.324 2.135 50 40 DEGB CC(C)O/C=C/[C@H](C)[C@@]1(C#N)C(N)=C(C=O)[C@H](C)C1(C#N)C#N 36003851 VCSVNOWZBQTMRK-XQULMIQCSA-N 312.373 2.166 50 40 DEGB NNC(=O)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 225315406 OGQJRBKPSSWBIC-UHFFFAOYSA-N 303.749 2.125 50 40 DEGB COc1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1 287777 HEFVWHAYQOQRDZ-UHFFFAOYSA-N 315.398 2.004 50 40 DEGB CCOC(=O)NNC(=O)COc1ccc(Cl)c(Cl)c1 29760532 IYMKTUCEUPROHU-UHFFFAOYSA-N 307.133 2.150 50 40 DEGB C/C(=N/NC(=O)Cn1nc2ccccc2n1)c1ccc(F)cc1 994084 JBISZSWLSDHZHM-WQRHYEAKSA-N 311.320 2.111 50 40 DEGB CC(=O)Nc1ccc(C(=O)N/N=C(\C)c2cccc(N)c2)cc1 5480091 MUVMHGMXURUXGE-RGVLZGJSSA-N 310.357 2.381 50 40 DEGB NNC(=O)c1ccc(Cc2ccco2)n1Cc1ccc(F)cc1 226031785 OYRFSFAQVOXKLG-UHFFFAOYSA-N 313.332 2.463 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@H](O)c1cccc(F)c1 96519117 RGWATXYYNOYVGL-NXEZZACHSA-N 311.172 2.015 50 40 DEGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccncc1 569235 FVKHZBDGHDSFQG-UHFFFAOYSA-N 310.140 2.463 50 40 DEGB CC(C)NC(=S)NNC(=O)c1cc2c(s1)CC[C@H](C)C2 7986468 RGDOGKCNCLYPPN-VIFPVBQESA-N 311.476 2.390 50 40 DEGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)c3ccncc3)c2c1 4679731 APPPBMGFTXKNJM-UHFFFAOYSA-N 322.368 2.183 50 40 DEGB CCc1ccc2c(c1)/C(=N\NC(=O)c1ccc(O)cc1)C(=O)N2 20816467 MUYANHQBIUCMAH-UHFFFAOYSA-N 309.325 2.041 50 40 DEGB Cc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1C 409181532 CTLSFSJVDDSLSN-CXUHLZMHSA-N 301.302 2.497 50 40 DEGB Cc1ccsc1/C=N/NC(=O)C(=O)Nc1ccccc1F 5748632 PZUOXIAZNZETAE-LZYBPNLTSA-N 305.334 2.284 50 40 DEGB CCO[Si](OCC)(OCC)c1ccc([Si](C)(C)C)cc1 202469360 RAUSPLJFDMLFDN-UHFFFAOYSA-N 312.558 2.487 50 40 DEGB CCOC(=O)C(=O)NN(Cc1ccccc1)Cc1ccccc1 2270775 SLVXCKIQJSLMMW-UHFFFAOYSA-N 312.369 2.283 50 40 DEGB COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)CC#N 100544232 MHDNCQWEBPPWOG-GIJQJNRQSA-N 322.752 2.083 50 40 DEGB O=C(COC(c1ccccc1)c1ccccc1)NNC(=O)C1CC1 26968637 HRTMDDQUKMTZSL-UHFFFAOYSA-N 324.380 2.350 50 40 DEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 408971114 MHYBZLCCIZMMTA-ZBPACCJBSA-N 315.295 2.070 50 40 DEGB Cc1cc(C)nc(NNC(=O)/C=C/c2nc3ccccc3o2)n1 84114506 TXXPLVAJJYZHKY-BQYQJAHWSA-N 309.329 2.391 50 40 DEGB Cc1cc(C)c(OCC(=O)NNC2=CC(=O)CCC2)c(C)c1 408947134 ALJNXPKYHJCWIP-UHFFFAOYSA-N 302.374 2.248 50 40 DEGB CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CCl 79392502 FFUBMRYZQSQPJA-NSHDSACASA-N 304.818 2.473 50 40 DEGB OB(O)c1cccc(-n2c(-c3ccccc3)nc3ccccc32)c1 1857793618 FFBCPWSXGGYBLU-UHFFFAOYSA-N 314.153 2.372 50 40 DEGB CC(C)NC(=O)CC(=O)N/N=C/c1ccc(Cl)cc1Cl 3057803 KLGNUWFNNQAYSG-FRKPEAEDSA-N 316.188 2.358 50 40 DEGB COc1cc(/C=N\NC(=O)Cc2cccs2)cc(OC)c1O 36673777 PAKYHIQPRZGORR-SXGWCWSVSA-N 320.370 2.164 50 40 DEGB Cc1nc(N)sc1NC(=O)N/N=C/c1ccc(N(C)C)cc1 196213 QFRPQEPPYWOHOQ-LZYBPNLTSA-N 318.406 2.255 50 40 DEGB C=CCNC(=O)CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59459590 QJSBARYVDHJGSB-CAOOACKPSA-N 314.172 2.136 50 40 DEGB CN1N=C(C(=O)NN(c2ccccc2)c2ccccc2)CCC1=O 53161139 MGGMBVLOQWFUAO-UHFFFAOYSA-N 322.368 2.464 50 40 DEGB Cc1ccsc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 3475588 FTDZISWPVSPFKL-MJOIQJIUSA-N 302.355 2.347 50 40 DEGB CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OC)cc2)o1 277610 DNBZDXQDVXAWNT-UKTHLTGXSA-N 310.309 2.386 50 40 DEGB O=C1O[C@H]2C[C@]34CC=CC[C@]3(C[C@H]2I)[C@@H]14 104282038 ZWDXKNRAQJPUHJ-TWXYISROSA-N 316.138 2.462 50 40 DEGB Cc1ccccc1OCC(=O)N/N=C/c1c(C)cc(O)cc1O 3148108 SKDFBIYCVUSXGV-GIJQJNRQSA-N 314.341 2.244 50 40 DEGB C/C(=N/NC(=O)c1cccc(C)c1O)c1ccc(O)cc1O 4662532 KLWZJISQXGBZRH-YVLHZVERSA-N 300.314 2.266 50 40 DEGB O=C(CBr)Nc1ccc(C(=O)N2CCCC2)cc1 35605245 LAHPMAPTOCYFFW-UHFFFAOYSA-N 311.179 2.256 50 40 DEGB CC(=O)N(C(C)=O)c1ccc(C)cc1[C@H](Cl)S(C)(=O)=O 2041558 QWSQFUIUUZMYFT-CYBMUJFWSA-N 317.794 2.176 50 40 DEGB COc1cccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)c1 100245160 LXUNZCDEZZSARK-LICLKQGHSA-N 300.314 2.260 50 40 DEGB COC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccc(OC)cc1 20528828 SXGREIHOMQZHBZ-AWEZNQCLSA-N 316.382 2.494 50 40 DEGB O=C(CCc1nc2ccccc2[nH]1)N/N=C/c1ccccc1O 4067186 AJYDYEGNIYXENF-WOJGMQOQSA-N 308.341 2.351 50 40 DEGB CC[C@@H]1S/C(=C(\C#N)C(=O)NC)N(c2ccc(C)cc2)C1=O 23641411 UASQXSPUNMVPEO-HKJJFUAXSA-N 315.398 2.335 50 40 DEGB C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 135189 ZZAKNKVAKILQMV-QAEAHILHSA-N 313.313 2.169 50 40 DEGB CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1 8733001 YFDVNDKJYRQVKC-LLVKDONJSA-N 313.195 2.305 50 40 DEGB Cc1cc(C(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)o1 3524238 NKAQXIQRPBYQDJ-UHFFFAOYSA-N 317.301 2.188 50 40 DEGB Cc1cc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cs1 6527830 YNXYZIQZCNXHFF-HOSYDEDBSA-N 309.460 2.354 50 40 DEGB CCn1c(C)nc2cc(C(=O)NN=C3CCN(C)CC3)ccc21 58373138 GMABKAWFVDBGRV-UHFFFAOYSA-N 313.405 2.176 50 40 DEGB CN(C(=O)CCl)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79392634 VJZHWNXXAFJQPD-CYBMUJFWSA-N 310.781 2.095 50 40 DEGB COC(=O)c1ccc2c(c1)NN(C)[C@@H]2I 514267287 LOZVQSYRNDNUEC-VIFPVBQESA-N 318.114 2.179 50 40 DEGB CC[C@@]1(O)C[C@@]2(CCCC[C@@H]2I)OC1=O 6371548 JHYROJOLJZMOJT-JMJZKYOTSA-N 324.158 2.191 50 40 DEGB Cc1cc2c(c(=O)n1C)[C@H](Cc1ccccc1)C(C#N)=C(N)O2 2236397 HIRSGRKIBRGGJX-CYBMUJFWSA-N 307.353 2.106 50 40 DEGB O=C(NNC(=O)c1ccccc1Br)c1ccco1 27670 VHWBLOOXYSZNMH-UHFFFAOYSA-N 309.119 2.117 50 40 DEGB O=C1N[C@]2(C=C[C@H](Br)CC2)C(=O)C12CCCCC2 1722986 DJWNQNIHQSUQBB-HZMBPMFUSA-N 312.207 2.488 50 40 DEGB Cc1ccsc1/C=N/NC(=O)C(=O)N[C@@H](C)c1ccccc1 59435538 TWGJYIRXAKGBDC-VAKHEIKFSA-N 315.398 2.384 50 40 DEGB Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)cc1 3081871 AMEKYPJTVHXPNA-KEBDBYFISA-N 313.332 2.014 50 40 DEGB CC/C(=N\NC(=O)c1cc(O)cc(O)c1)c1ccc(O)cc1 13322527 QHTYTQSQISHSNY-BMRADRMJSA-N 300.314 2.348 50 40 DEGB Nc1ccccc1C(=O)NNC1=C(C(=O)C(F)(F)F)CCC1 13687217 QLOQYEFZVNOYEP-UHFFFAOYSA-N 313.279 2.073 50 40 DEGB CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)CCl)C2CC2)C1 79392573 ODYROOPAJLQDKX-NSHDSACASA-N 302.802 2.226 50 40 DEGB COc1cc(/C=N/NC(=O)c2cccs2)cc(OC)c1O 232518 JRIZOCXULYGIAQ-OVCLIPMQSA-N 306.343 2.235 50 40 DEGB Cc1cccc(C)c1NC(=S)NNC(=O)c1ccncc1 6491145 YROIJMSKKWISEM-UHFFFAOYSA-N 300.387 2.330 50 40 DEGB CCNC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 4185857 QUBGBAMKAQNKIG-AQUOVQTQSA-N 302.212 2.281 50 40 DEGB O=C(NNC(=O)[C@@H]1CC=CCC1)c1cc(-c2ccccc2)n[nH]1 8284007 CNNBZYQBARJVHQ-CYBMUJFWSA-N 310.357 2.194 50 40 DEGB COc1ccccc1/C=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1 103740075 IMAGYMCUIYBZBS-BOPFTXTBSA-N 313.313 2.296 50 40 DEGB CCOC(=O)/C(=N/Nc1ccc(OCC)cc1)C(=O)CCl 102996614 AWFITCRXKHTVBF-GHRIWEEISA-N 312.753 2.224 50 40 DEGB CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)[C@@H](OC)c1ccccc1 408719716 KQVXPYBHBIHHLE-IIRQOVMFSA-N 318.373 2.210 50 40 DEGB CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CCl)C1 79390991 JCJMHDPNNOZPAA-LLVKDONJSA-N 304.818 2.472 50 40 DEGB O=C(O)COc1ccc(/C=N\NC(=O)c2ccco2)cc1Cl 33326580 BSIJWIJCBVRYKA-APSNUPSMSA-N 322.704 2.160 50 40 DEGB O=C(N/N=C/c1ccn(CC(F)(F)F)n1)c1ccc(F)cc1 252499971 SKHQBJOFKSKNPY-CNHKJKLMSA-N 314.242 2.348 50 40 DEGB CCCCc1nc2c(o1)NC(N)=C(C#N)[C@@]21CN2CCC1CC2 12410971 YVWWCVRMHUBXMX-KRWDZBQOSA-N 313.405 2.100 50 40 DEGB CCOc1ccccc1C(=O)NNC(=O)c1ccc(OC)cc1 6048544 VTUBPVITBZIDFT-UHFFFAOYSA-N 314.341 2.169 50 40 DEGB CCn1nc(C)c(/C=N/NC(=O)CSc2ccccn2)c1C 547923 YDHGYWTWVMSZDV-RQZCQDPDSA-N 317.418 2.157 50 40 DEGB CCN1C(=O)/C(=N/NC(=O)c2cccc(F)c2)c2ccccc21 102033451 MRZCGXPVSDKDHX-XDJHFCHBSA-N 311.316 2.326 50 40 DEGB COc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2C)cc1 59472473 JMOPOLDKSXRETI-UHFFFAOYSA-N 322.368 2.460 50 40 DEGB C[C@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(C(=O)O)cc1 4544361 ZPXJAEQAGHMQPG-HWQJWEFDSA-N 312.325 2.302 50 40 DEGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccnc1 15508321 FWXVAVYXXCIVPG-UHFFFAOYSA-N 313.401 2.449 50 40 DEGB COc1ccc(/C=N/NC(=O)CCn2nc(C)cc2C)cc1 503466 CUDSFVSGXIROEI-GZTJUZNOSA-N 300.362 2.049 50 40 DEGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1ccc(F)cc1 100510150 BYTYULZTZXUXEF-YBFXNURJSA-N 317.320 2.231 50 40 DEGB CC/C(C)=N/NC(=O)c1c(O)n(CC)c2ccccc2c1=O 1301414 UTTFQLNMYTYLCN-LICLKQGHSA-N 301.346 2.243 50 40 DEGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)cc1 36186167 NCOIQLMCCSZKPG-LZYBPNLTSA-N 303.249 2.203 50 40 DEGB O=C(COc1ccccc1)NNC(=S)Nc1ccc(F)cc1 143245 CIVYBFFCFSPPIM-UHFFFAOYSA-N 319.361 2.222 50 40 DEGB COc1ccc(C(=O)NNC(=O)/C=C/c2ccc(F)cc2)cc1 512805 VYZJELLYJCUDOZ-NYYWCZLTSA-N 314.316 2.309 50 40 DEGB Cn1nc(C2CC2)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253400715 LNYWHOQWFUBESJ-OAHLLOKOSA-N 310.357 2.112 50 40 DEGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccco1 381421 SUUKNYHSOGCFCY-CXUHLZMHSA-N 304.302 2.069 50 40 DEGB O=C(Cn1nnc2ccccc21)N/N=C1/CCCc2ccccc21 96837224 XQDAOZRJLDUDRI-CYVLTUHYSA-N 319.368 2.288 50 40 DEGB N#C/C(=C\NC(=S)Nc1ccc(Cl)c(Cl)c1)C(N)=O 104302372 LRJMNBAQEFCFQY-AATRIKPKSA-N 315.185 2.173 50 40 DEGB O=S(=O)(c1ccccc1)[C@@H]1[C@H]2C[C@H]3[C@@H]([C@@H]2Br)[C@H]13 104253592 ZNVZGURQOQNGRK-LSUSWQKBSA-N 313.216 2.488 50 40 DEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2sccc2C)cc1 4702995 PHIHZPQEURNJRB-CXUHLZMHSA-N 301.371 2.454 50 40 DEGB Cc1ccc(CC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1 409359383 JAZKYXGKGNLWPW-YVLHZVERSA-N 313.313 2.302 50 40 DEGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1O)C(=O)NC1CCCC1 409188985 LXVJMLYIGAZPRB-XFFZJAGNSA-N 301.302 2.266 50 40 DEGB O=C(CBr)Nc1cnn(CC(F)(F)C(F)F)c1 95094028 FJRLIDJUVMAVMK-UHFFFAOYSA-N 318.068 2.117 50 40 DEGB COc1ccc(C(=O)N/N=C/c2cc(OC)ccc2O)cc1 252607 HIAWBIPOUXZYHB-LICLKQGHSA-N 300.314 2.173 50 40 DEGB N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)N1CCCC1 16437873 LNVSTXUMXLMPEO-DTQAZKPQSA-N 311.385 2.053 50 40 DEGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 5384285 ARLGHQUTFWMKFX-YBFXNURJSA-N 303.406 2.206 50 40 DEGB CC(C)(C)NC(=S)NNC(=O)COc1ccccc1Cl 8301826 MFNDTKKEDUEJPO-UHFFFAOYSA-N 315.826 2.013 50 40 DEGB Cc1ccc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1 59463253 XNNVNTJSKCMVHD-DJKKODMXSA-N 311.341 2.286 50 40 DEGB CN(CC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1 48299180 HUGGEYOEGNEQFG-UHFFFAOYSA-N 317.776 2.237 50 40 DEGB CN/C(SC)=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 23001865 HEVRSDFPYFAVMI-KHPPLWFESA-N 302.808 2.389 50 40 DEGB CC1CCN(C(=O)C(=O)N/N=C/c2ccc(Cl)cc2)CC1 6646020 OIBXWHSSNVXVMR-LICLKQGHSA-N 307.781 2.049 50 40 DEGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=S)NC1CC1 6317280 QOPSKQTZQSMPMB-UHFFFAOYSA-N 307.463 2.251 50 40 DEGB Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(O)cc2)n1 31902271 UWXVSDGYBQUQAY-PXNMLYILSA-N 316.386 2.041 50 40 DEGB CC(CI)CI 79135677 NYJFWRSAFZAQPX-UHFFFAOYSA-N 309.916 2.493 50 40 DEGB COc1ccc(C(=O)N/N=c2/sc3ccccc3n2C)cc1 6268953 VXPCPVVKMFUCQR-FBMGVBCBSA-N 313.382 2.494 50 40 DEGB N#CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 8062944 LNTVUWVXSXHABI-WOJGMQOQSA-N 324.296 2.261 50 40 DEGB CCC(CC)C1=C(C#N)[C@@](C#N)(C(N)=O)C(CC)(CC)[C@@H](O)O1 96336715 GWSIHQLJMHQCAG-RDJZCZTQSA-N 319.405 2.351 50 40 DEGB COc1cccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1 108174401 GYDAURQLJNODDC-BOPFTXTBSA-N 313.313 2.296 50 40 DEGB CCc1noc(C)c1C(=O)NNC(=O)c1ccc(Cl)cc1 8074159 COUBZDVJVUFAFB-UHFFFAOYSA-N 307.737 2.274 50 40 DEGB COc1cc(/C=C/C(=O)NN)ccc1OCc1ccccc1F 226335571 DIOZQCYZGKUHOQ-VQHVLOKHSA-N 316.332 2.416 50 40 DEGB CNC(=S)NNC(=O)c1sccc1OCc1ccccc1 8773007 LCZZWSMCVJSALU-UHFFFAOYSA-N 321.427 2.066 50 40 DEGB CN1C(N)=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O 409130116 IJGPJEYBPVZFJM-MRXNPFEDSA-N 323.352 2.145 50 40 DEGB CCOC(=O)NNC(=O)c1c[nH]nc1-c1ccc(Cl)cc1 32893604 ADSRZMDOLSDOTO-UHFFFAOYSA-N 308.725 2.121 50 40 DEGB C[C@H]1Cc2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)ccc2O1 5419218 PVKPZNHLWBPEQL-VKDJDKKASA-N 312.369 2.212 50 40 DEGB C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)o1 9366419 BJVYXNQGGJJODF-DTHKZTQTSA-N 310.361 2.300 50 40 DEGB COc1ccc(NCCCC(=O)N/N=C/c2cccnc2)cc1 2288930 NHPYKECVEBIETA-DEDYPNTBSA-N 312.373 2.433 50 40 DEGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccccc2O)c1 3147929 FAPHMCDNHGMKBP-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB N#C/C(=C\c1ccc(N2CCCC2)cc1)C(=O)N1CCOCC1 6422964 GYWBGQPZVUZCKM-DTQAZKPQSA-N 311.385 2.053 50 40 DEGB Cc1cc(C(=O)N/N=C/c2cn(C)nc2C)c2ccccc2n1 547276 AVSSHQQWERQDID-GIJQJNRQSA-N 307.357 2.349 50 40 DEGB CCCN1C(=O)/C(=N/NC(=O)c2ccoc2C)c2ccccc21 5430863 UHDRNFNDIUACTL-OBGWFSINSA-N 311.341 2.479 50 40 DEGB COC(=O)c1ccc(/C=N\NC(=O)c2cccc(OC)c2)cc1 33682357 SRXNKRTWXJLJCY-WQRHYEAKSA-N 312.325 2.246 50 40 DEGB O=C(CNc1ccc(F)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 252126 JBJZVZOYBXAHPN-GIJQJNRQSA-N 316.292 2.296 50 40 DEGB CC(C)O/C=C/[C@H](C)[C@]1(C#N)C(N)=C(C=O)[C@@H](C)C1(C#N)C#N 20790412 VCSVNOWZBQTMRK-MIIOKAORSA-N 312.373 2.166 50 40 DEGB COC(=O)c1cc(OCCCCl)c(OC)cc1[N+](=O)[O-] 38213779 GCINJZKBBZPKMT-UHFFFAOYSA-N 303.698 2.398 50 40 DEGB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)CCl)cc1 14404469 FZLMBAPIEOSMBZ-UHFFFAOYSA-N 306.753 2.456 50 40 DEGB CC[C@H](C)Oc1ccc(C(=O)NNC(=O)c2ccncc2)cc1 569102 POWHFVRLIRAGDK-LBPRGKRZSA-N 313.357 2.334 50 40 DEGB C=CCN1C(=O)/C(=N/NC(=O)OC(C)(C)C)c2ccccc21 5817180 UTDYRUWSNBSONJ-GHRIWEEISA-N 301.346 2.448 50 40 DEGB COc1ccc(C(=O)NNc2nc(C)ccc2[N+](=O)[O-])cc1 94992650 ILLAJQBFXMOLHC-UHFFFAOYSA-N 302.290 2.064 50 40 DEGB CC(C)c1ccc(N(NC(=O)C2CCOCC2)C(N)=S)cc1 169810927 VJGJMSQPYMGMQN-UHFFFAOYSA-N 321.446 2.318 50 40 DEGB N#C/C(=C/c1cc(Br)c(Br)o1)C(N)=O 408864132 SLCAZYVVCYLLHB-RJRFIUFISA-N 319.940 2.197 50 40 DEGB O=C(CN1Cc2ccccc2C1)N/N=C/c1cccc([N+](=O)[O-])c1 409226964 WRYFZMYAMQTCTB-GIJQJNRQSA-N 324.340 2.061 50 40 DEGB COC(=O)c1cnc(C(Br)Br)cn1 97972440 VLUNGFXWFUJWMG-UHFFFAOYSA-N 309.945 2.052 50 40 DEGB COc1ccnc(NNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)n1 56887396 VEGKUPFVHQJPBM-IUCAKERBSA-N 318.299 2.297 50 40 DEGB O=C(CN1CCCC1=O)NN=C(c1ccccc1)c1ccccc1 60742429 RFCTXBYTJJLONB-UHFFFAOYSA-N 321.380 2.178 50 40 DEGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1C[C@H]1[N+](=O)[O-] 44266460 JBSBNXIGMQNOTI-LSDHHAIUSA-N 309.325 2.220 50 40 DEGB COc1ccccc1CC(=O)N/N=C1\CCc2c(O)cccc21 63386511 UHOFCIAFIQCKQH-XDJHFCHBSA-N 310.353 2.410 50 40 DEGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)CC(=O)N1 9109982 DISSYYGWHCFQJY-LBPRGKRZSA-N 316.382 2.240 50 40 DEGB CC(C)O/C(O)=N/S(=O)(=O)c1ccc(CCCl)cc1 43471 BMLALWRKBNCBKC-UHFFFAOYSA-N 305.783 2.496 50 40 DEGB O=C(CCNC(=O)c1ccccc1Cl)N/N=C/c1ccco1 2675822 OQHZYTIZXLFKKA-VCHYOVAHSA-N 319.748 2.203 50 40 DEGB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Cl)cc2)C1 4137145 XOVHXEYYZHHBKT-SNVBAGLBSA-N 301.795 2.486 50 40 DEGB CCOC(=O)c1cc(NC(=O)CCl)cc(C(=O)OCC)c1 3886205 OWZKEZMMXOJFKR-UHFFFAOYSA-N 313.737 2.217 50 40 DEGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cccc(F)c1 1029429 XBTBHSBTLSZTCX-WOJGMQOQSA-N 317.320 2.019 50 40 DEGB NNC(=O)c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 4755361 LRCUNVDZZCZNDC-UHFFFAOYSA-N 313.401 2.445 50 40 DEGB Cc1cccc(OCC(=O)NNC(=O)CCc2ccccc2)c1 4996266 GTZMNQDYGHMVQT-UHFFFAOYSA-N 312.369 2.154 50 40 DEGB Cc1nn(C)cc1[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 19840807 QYGHQMGJZHOAKH-CJNGLKHVSA-N 318.384 2.322 50 40 DEGB Cc1cccc(NCC(=O)N/N=C/c2c(C)cc(O)cc2O)c1 225104 PIAVRLQEIIKUAZ-DJKKODMXSA-N 313.357 2.277 50 40 DEGB Cc1ccc(C)n1-c1ccsc1C(=O)NNC(=O)CCl 1590928 OVZWYJFXEICEKS-UHFFFAOYSA-N 311.794 2.155 50 40 DEGB COc1cc(NC(=S)NNC(=O)CC(C)C)cc(OC)c1 2783999 NAJJWCXTEYWEIQ-UHFFFAOYSA-N 311.407 2.068 50 40 DEGB CCc1nnsc1C(=O)NNC(=O)c1cc(C)c(CC)s1 95971405 IYUYFQNDFJIGJI-UHFFFAOYSA-N 324.431 2.108 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@H](O)c1ccccc1F 96519113 MMZGVBHBDSLANM-NXEZZACHSA-N 311.172 2.015 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccccc2O)c(OC)c1 224692 UIWHCEGEZAPZJY-LICLKQGHSA-N 300.314 2.173 50 40 DEGB biogenic O=C(N/N=C/c1c[nH]nc1-c1ccccc1)[C@H](O)c1ccccc1 5323888 KAJRAPCOHCIEQG-XNHPLOEXSA-N 320.352 2.260 50 40 DEGB O=[N+]([O-])c1ccc(S(=O)(=O)C/C=C\CCl)c([N+](=O)[O-])c1 8642425 NBQLRNWPLDGTAY-UPHRSURJSA-N 320.710 2.072 50 40 DEGB O=C(CNC(=O)c1ccco1)N/N=C/c1ccc2ccccc2c1 3081893 JCOWFPIIBMDXGO-RGVLZGJSSA-N 321.336 2.313 50 40 DEGB Cc1cccc(NC(=S)NNC(=O)c2cccnc2)c1C 1405703 OIRDZCNKXSXQKS-UHFFFAOYSA-N 300.387 2.330 50 40 DEGB O=C(NNC(=O)c1cc2c(s1)CCCCC2)Nc1cn[nH]c1 57029450 YEBSQNYTICAYBF-UHFFFAOYSA-N 319.390 2.207 50 40 DEGB CCOc1ccc([C@H]2NC(=O)NC(CCl)=C2C(=O)OC)cc1 57509105 KUEODELAAOYTTJ-CYBMUJFWSA-N 324.764 2.105 50 40 DEGB CCOC(=O)c1csc(NNC(=O)c2ccc(OC)cc2)n1 1415080 QSCXQEUKTDLDBM-UHFFFAOYSA-N 321.358 2.085 50 40 DEGB CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CCl 79392482 HCFOOQDWWBAJHO-NSHDSACASA-N 304.818 2.331 50 40 DEGB O=C(COc1cccc(F)c1)NNC(=O)c1cccc(Cl)c1 3430514 WUCWJWBJISIHGP-UHFFFAOYSA-N 322.723 2.319 50 40 DEGB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCl)c1 3885321 LAGMFKGOZAVOJR-UHFFFAOYSA-N 318.826 2.203 50 40 DEGB Cc1ccc(C(=O)NNC(=O)COc2ccccc2Cl)o1 14197067 MBVJHFWWZDOFRN-UHFFFAOYSA-N 308.721 2.081 50 40 DEGB C[C@@H]1CCC/C(=N\NC(=O)C(=O)N/N=C2\CCC[C@@H](C)C2)C1 5527961 YZOLEUJPTISMDY-YAGHXHTESA-N 306.410 2.351 50 40 DEGB CC(C)(C)C1CCC(/N=C(\N)CSS(=O)(=O)O)CC1 31723259 KDSUHFGYRJYXCZ-UHFFFAOYSA-N 308.469 2.485 50 40 DEGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(C)c1O 27020626 LLJXNMOTWYGSIN-NHXNDTTKSA-N 300.358 2.211 50 40 DEGB COc1ccc(CC(=O)NNC(=O)c2cc3ccccc3o2)cc1 14201904 YYNBTFXARFNITC-UHFFFAOYSA-N 324.336 2.445 50 40 DEGB CC(Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)=C(C#N)C#N 6862109 JOXYNEHGFSLYIF-UHFFFAOYSA-N 324.793 2.323 50 40 DEGB CC(=O)NNC(=O)c1ccccc1NC(=O)c1cccc(C)c1 408998350 QBWZIQDSEIKWPY-UHFFFAOYSA-N 311.341 2.028 50 40 DEGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccs2)c1O 37613827 MTLFOWOLWILKGL-VGOFMYFVSA-N 305.315 2.434 50 40 DEGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccncc2)cc1 223174013 XZSBEHFODMSWCD-UVTDQMKNSA-N 307.309 2.414 50 40 DEGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccco1 5514097 OLULWVHGZLQIAG-LZYBPNLTSA-N 321.720 2.030 50 40 DEGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21 18266147 ZQGDJKYXHZJTEH-OAHLLOKOSA-N 323.352 2.300 50 40 DEGB COCc1[nH]nc2c1[C@@H](c1sccc1C)C(C#N)=C(N)O2 6499450 KHNXQZRBMDPNST-JTQLQIEISA-N 302.359 2.144 50 40 DEGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1nc2ccccc2[nH]1 13470851 MBFPFSFTDWMDHV-LCYFTJDESA-N 318.336 2.491 50 40 DEGB C/C(CC(=O)Nc1ccccc1F)=N\NC(=O)c1cccnc1 101159450 QJCFCXSQFHQNQT-RGVLZGJSSA-N 314.320 2.355 50 40 DEGB COC(=O)N[C@@H]1[C@@H](C)C=C[C@@H](C)[C@@H]1I 4973077 UHBCANGCONBFBD-RYPBNFRJSA-N 309.147 2.357 50 40 DEGB CC[C@H](C)Oc1cccc(C(=O)NNC(=O)c2ccncc2)c1 5984778 OHCLGDIOYILBBQ-LBPRGKRZSA-N 313.357 2.334 50 40 DEGB CC(=O)N(NC(N)=O)[C@@H](C)CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C 13140539 HBHUWTINICXQSH-COPLHBTASA-N 309.410 2.004 50 40 DEGB O=C(N/N=C/c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 13337149 IJSPSOFSGWRAOH-CXUHLZMHSA-N 313.269 2.057 50 40 DEGB O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])cc1 3161918 FQSXGIMBMPMFTM-NTUHNPAUSA-N 320.286 2.328 50 40 DEGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccco1 1427255 YEHYITFWIFZXFW-CQSZACIVSA-N 319.320 2.350 50 40 DEGB N#CC1=C(N)n2ncnc2N[C@H]1c1ccccc1C(F)(F)F 18199183 XKODCTVRDICUIC-JTQLQIEISA-N 306.251 2.115 50 40 DEGB CC(=O)N(NC(N)=O)[C@H](C)CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C 4599265 HBHUWTINICXQSH-GYSYKLTISA-N 309.410 2.004 50 40 DEGB Cc1cc(CNC(=O)NNC(=O)c2ccoc2C)ccc1F 32795466 CWDZMHXWOWJBMQ-UHFFFAOYSA-N 305.309 2.180 50 40 DEGB CN(C[C@@H]1CCN(C(=O)CCl)C1)C(=O)OCc1ccccc1 79411822 ZZFJAQNWPPUFMY-AWEZNQCLSA-N 324.808 2.342 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1 8228608 DWGXWOMWQHIJCS-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB N#C/C(C(=O)Nc1ccccn1)=C(/N)C(Cl)(Cl)Cl 22022822 UPKICWGONQUDJI-VURMDHGXSA-N 305.552 2.127 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 104449354 KKLRNGCLBBUGOB-ZJVCQKQLSA-N 318.398 2.355 50 40 DEGB COC(=O)/C(O)=C1/C(=O)[C@@]2(C)CC[C@@H]1[C@@]2(C)CBr 100746676 VWPNDMWKMFEUNP-FDECTHIQSA-N 317.179 2.372 50 40 DEGB O=C(NNC(=S)NCCCc1ccccc1)c1ccccc1 408586580 PAQGNHNDTKNZEF-UHFFFAOYSA-N 313.426 2.428 50 40 DEGB COC(=O)/C(O)=C1\C(=O)[C@]2(C)CC[C@@H]1[C@@]2(C)CBr 100958889 VWPNDMWKMFEUNP-OTUNCYIMSA-N 317.179 2.372 50 40 DEGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1sccc1C 58884946 LVGWDSZNIHSZOL-CXUHLZMHSA-N 301.371 2.454 50 40 DEGB Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(N)=O)c(C)n1CC(C)C 5180801 KTCHMLBNMUJSOP-FEZXJWFHSA-N 317.389 2.085 50 40 DEGB CC[C@H](C(=O)NN)N1c2c(OC)cccc2C(C)=CC1(C)C 223202367 GWIODWOTBVWUKA-CYBMUJFWSA-N 303.406 2.466 50 40 DEGB CN(C)c1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1 338020 KENMZBRQXWAPRY-UHFFFAOYSA-N 314.414 2.384 50 40 DEGB CN1C(N)=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 409148889 TWXSPXJONFFACR-HNNXBMFYSA-N 324.340 2.325 50 40 DEGB Cc1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)o1 9883421 CRHZSUOBEUBVKO-UHFFFAOYSA-N 309.325 2.454 50 40 DEGB COc1cc(Cc2noc(CCl)n2)c(OC)c2c1OCO2 34929375 RCBNUCGLDAKHKU-UHFFFAOYSA-N 312.709 2.145 50 40 DEGB CCOC(=O)[C@@H](CCBr)NC(=O)OC(C)(C)C 38355645 YXTOPOZRFOXANL-MRVPVSSYSA-N 310.188 2.228 50 40 DEGB CC(=O)NNC(=O)Cc1ccc(OCCC(C)C)c(Cl)c1 27579261 KIOZIJQXTDERHF-UHFFFAOYSA-N 312.797 2.475 50 40 DEGB CCC(=O)NNC(=O)c1ccccc1NC(=O)c1ccccc1 408998196 AOVDKUSGJVQCJX-UHFFFAOYSA-N 311.341 2.110 50 40 DEGB N#C/C(=C/NC(=S)Nc1ccc(Cl)c(Cl)c1)C(N)=O 104302377 LRJMNBAQEFCFQY-WAYWQWQTSA-N 315.185 2.173 50 40 DEGB N#CC1=C(N)n2ncnc2N[C@@H]1c1c(Cl)cccc1Cl 18199177 USSCIOVABHVVNO-JTQLQIEISA-N 307.144 2.403 50 40 DEGB Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21 408806288 AIGMUJQKZOCKTQ-GLNPCMGASA-N 309.369 2.380 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccccc1C 96519123 QEJIFSDZZLYRNS-WDEREUQCSA-N 307.209 2.184 50 40 DEGB CCc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(C)cc32)nc1 27860 GUFVHNRMTQIZFF-UHFFFAOYSA-N 308.341 2.039 50 40 DEGB CN(C)C(=O)[C@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 101042630 KBMARDPLVZNCNA-HJIKLVIJSA-N 302.212 2.234 50 40 DEGB Cc1ccc(C(=O)NNC(=O)COc2ccccc2C)cc1C 10216389 KEYIJYLPNDYFQA-UHFFFAOYSA-N 312.369 2.452 50 40 DEGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1 3572999 NUPFRVYDYOBSRH-XMHGGMMESA-N 309.369 2.287 50 40 DEGB COc1cc(OC)cc([C@H]2C(C#N)=C(N)Nc3oc(C)nc32)c1 125629 LIRBOBQVVQNQQG-ZDUSSCGKSA-N 312.329 2.252 50 40 DEGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 499237 GYZCAXDKPHVTRN-MRXNPFEDSA-N 321.336 2.274 50 40 DEGB CCOC(=O)[C@H](CC)/C(C)=N/NC(=O)c1ccccc1[N+](=O)[O-] 4508707 MQWSXNZOEWFCAT-HPUUJOOBSA-N 321.333 2.290 50 40 DEGB CO[C@@H](C(=O)N/N=C(\C)c1cc(O)ccc1O)c1ccccc1 408719957 QJEZLKDUJIBXAX-YCPFAOKUSA-N 314.341 2.326 50 40 DEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 408969825 VEGAJPZPXRKPNP-HWQJWEFDSA-N 303.406 2.349 50 40 DEGB COc1cccc2c1NC(=O)/C2=N/NC(=O)c1ccc(C)cc1 59472651 VTAJZCRGSXTQRM-UHFFFAOYSA-N 309.325 2.090 50 40 DEGB Cc1cccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)c1 244884 UUYFPDDXBKRUJJ-VCHYOVAHSA-N 312.325 2.222 50 40 DEGB CC1(C)[C@@]2(C)CC[C@]1(C(=O)NNc1ccccc1)C(=O)C2=O 2106591 MWKOPWFJYCNEMT-DLBZAZTESA-N 300.358 2.094 50 40 DEGB Cc1ccc(C(=O)NNC(=O)c2ccc3[nH]cnc3c2)c(C)c1 12541340 NMPCXQVLEWGLIX-UHFFFAOYSA-N 308.341 2.255 50 40 DEGB Cn1cc(C(=O)N/N=C\c2ccc(O)c(O)c2)c2ccccc21 86047652 NPSQOXJFBTZLBO-NVMNQCDNSA-N 309.325 2.353 50 40 DEGB O=C(N/N=C/c1ccncc1)c1ccc(Br)cc1O 126331 KFJUQPUABHTWEG-LZYBPNLTSA-N 320.146 2.314 50 40 DEGB Cn1cnnc1Sc1ccc(C=C(C#N)C#N)cc1[N+](=O)[O-] 5865783 NXCDQAWTJNYDST-UHFFFAOYSA-N 312.314 2.305 50 40 DEGB O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 2163258 NZQOLFJKEMTMRB-UHFFFAOYSA-N 319.704 2.323 50 40 DEGB C/C(Cn1nnc2ccccc21)=N\NC(=O)c1ccc(F)cc1 27474981 GJKOEUCPJMSXDU-WOJGMQOQSA-N 311.320 2.376 50 40 DEGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1O 262971 URCYPQUDRKSUKR-CAOOACKPSA-N 305.721 2.213 50 40 DEGB CCCCOc1ccc([C@H]2C(C#N)=C(N)Nc3ncnn32)cc1 55104074 QNLAFSZXVGTSJD-AWEZNQCLSA-N 310.361 2.166 50 40 DEGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(O)c(O)c1 3031606 RVOKNHCMRBAJFN-CAOOACKPSA-N 320.732 2.280 50 40 DEGB CC(=O)/C(C#N)=C1/NC(=O)[C@H](Cc2ccccc2Cl)S1 16661281 XNOIMYBKTJAXCD-GVIGZQTCSA-N 306.774 2.438 50 40 DEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 7782311 FQWSMTKGSBRTKI-XUNMKLQISA-N 316.188 2.358 50 40 DEGB CNC(=O)/C(C#N)=C1\S[C@@H](C)C(=O)N1c1ccc(Cl)cc1 12579929 WGIIRABJRGDZPK-KQNWAAARSA-N 321.789 2.289 50 40 DEGB CCOc1cc(C(=O)NNC(=O)CC)cc(OCC)c1OCC 12806830 SNPDSLLJZNXDBA-UHFFFAOYSA-N 324.377 2.054 50 40 DEGB CCn1c(C(=O)NNC(=O)c2ccccn2)cc2ccccc21 58420577 AJBVCFDZJONCIN-UHFFFAOYSA-N 308.341 2.131 50 40 DEGB O=C(N/N=C\c1coc2ccccc2c1=O)c1ccccc1O 32086279 WAFYGXXLTQAURQ-NVMNQCDNSA-N 308.293 2.263 50 40 DEGB C/C(=N\NC(=O)COc1ccc(C#N)cc1)c1ccc(C#N)cc1 5504651 DTSVDOZHNQWCFO-FYJGNVAPSA-N 318.336 2.349 50 40 DEGB CC(C)CC[C@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccco1 1798162 RXZMAFRMWFUFHL-RYUDHWBXSA-N 324.377 2.204 50 40 DEGB CC[C@H]1S/C(=C(\C#N)C(N)=O)N(c2ccc(C)cc2)C1=O 2344020 YBCYXVZSJVPGHI-PKVLTRFUSA-N 301.371 2.074 50 40 DEGB COc1cc(/C(C)=N/NC(=O)c2ccc(O)cc2)ccc1O 5612682 XXXAFNAJJAZNEV-LICLKQGHSA-N 300.314 2.260 50 40 DEGB CC[C@@H](C)Oc1ccc(C(=O)NNC(=O)c2ccncc2)cc1 569101 POWHFVRLIRAGDK-GFCCVEGCSA-N 313.357 2.334 50 40 DEGB CC(=O)C1=C(C)NC(SCC(=O)O)=C(C#N)[C@@H]1c1ccco1 19229981 JNNOYIUEUFYZNN-CQSZACIVSA-N 318.354 2.382 50 40 DEGB Cc1ccc([C@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@H]32)cc1 5546279 PUVDOYDENXOXGD-WDMOLILDSA-N 322.290 2.267 50 40 DEGB Cc1ccc(/C=N/NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 59040 IVSISMSEUKHZDM-LICLKQGHSA-N 313.313 2.432 50 40 DEGB CCOc1cc(C=C(C#N)C#N)ccc1O[C@H](C)C(=O)N(C)C 13137694 MXDKJHWABNBJFE-GFCCVEGCSA-N 313.357 2.371 50 40 DEGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]cnc2c1 8579029 YOVCDVJHGMOBLF-QGMBQPNBSA-N 309.285 2.235 50 40 DEGB N#C[C@@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1 409198312 CGBCNZUGJLNRNU-LEBHLANCSA-N 307.309 2.173 50 40 DEGB COc1ccc(OC)c(/C=C(\C#N)C(=O)NCc2cccnc2)c1 20228818 HWPXGRSGTXMIPJ-OVCLIPMQSA-N 323.352 2.322 50 40 DEGB O=C(NNC(=S)Nc1cccc(Cl)c1)c1ccncc1 6511614 FFHIKXXAROVKKM-UHFFFAOYSA-N 306.778 2.366 50 40 DEGB COc1ccc(NC(=S)NNC(=O)c2cccc(O)c2)cc1 6569422 IIFFMWFFDGYENK-UHFFFAOYSA-N 317.370 2.032 50 40 DEGB C[S@@](=O)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1 14217437 FAZZTVWBHOGYFH-QFIPXVFZSA-N 319.342 2.089 50 40 DEGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(N)=O 215323927 ZZPLOCQRKFCNMO-GXDHUFHOSA-N 321.336 2.096 50 40 DEGB COC(=O)[C@H](Br)[C@@H](C(=O)OC)c1ccc(C)cc1 32235629 HXZXTWVVTRPMGJ-WDEREUQCSA-N 315.163 2.188 50 40 DEGB C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1 3009182 HTQJSJBVNYSSPS-ZGXHQARYSA-N 313.332 2.153 50 40 DEGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2cccs2)cc1)C(=O)O 566075 SXOIZATZZXEPGH-VCBXAZPMSA-N 318.354 2.364 50 40 DEGB CCc1ccc2c(c1)/C(=N\NC(=O)c1ccccc1OC)C(=O)N2 59472588 GSTBAFIVMMFVLX-UHFFFAOYSA-N 323.352 2.344 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc(F)cc1 96519109 UMAWIFMGGDUBJI-NXEZZACHSA-N 311.172 2.015 50 40 DEGB C/C(=N/N=C(/N)S)c1ccc(NC(=O)C(Cl)Cl)cc1 5412087 UPMWRQOYJSLPFW-SOFYXZRVSA-N 319.217 2.397 50 40 DEGB O=C(COc1cccc2cccnc12)N/N=C/c1cccc(O)c1 408751601 AINZYXPCWJIXJY-RGVLZGJSSA-N 321.336 2.470 50 40 DEGB O=C(CO)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 478742 YIKNZPJSABVTCY-GIJQJNRQSA-N 318.760 2.361 50 40 DEGB N[C@@H](Cc1ccc(OCCCCBr)cc1)C(=O)O 1542984436 VWSOSLFFUWISJZ-LBPRGKRZSA-N 316.195 2.195 50 40 DEGB CCc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1 6542814 LLCNQGNJFDDMFU-KGENOOAVSA-N 323.396 2.058 50 40 DEGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccnc1 59516139 CIMIRMWPFCNNRG-GIJQJNRQSA-N 316.748 2.132 50 40 DEGB Cc1ccc([C@@H]2[C@H]3COCC=C3C(C#N)=C(N)C2(C#N)C#N)o1 1247765 DAPRRNFLTZRANJ-ZFWWWQNUSA-N 306.325 2.028 50 40 DEGB O=C(NC[C@H]1CCCO1)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 70037292 JLDGDQBFYSJFQL-WAVZTYLISA-N 318.333 2.072 50 40 DEGB COc1ccccc1C(=O)N/N=C/c1c(C)cc(O)cc1O 4544137 UTUSVIQYIWAKMR-RQZCQDPDSA-N 300.314 2.179 50 40 DEGB CCOC(=O)/C(C#N)=C/Nc1ccc(NC(C)=O)c(OCC)c1 34633347 STFJATKWKPLWME-ZRDIBKRKSA-N 317.345 2.426 50 40 DEGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccnc2)cc1 223173934 UZAVVPMLDKSYQP-ZROIWOOFSA-N 307.309 2.414 50 40 DEGB Cc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c(C)c1 40177545 IPDGVBOWUCLXGZ-LBPRGKRZSA-N 315.822 2.062 50 40 DEGB C/C(N)=C(/C#N)C(=O)COC(=O)/C=C/c1cccc(Cl)c1 5360122 NARCPAJNOMYQOW-JHKDLGJPSA-N 304.733 2.222 50 40 DEGB C/C(=N\NC(=O)c1cccs1)c1ccc(OCC(=O)O)cc1 8044575 SGWLEIFTSMRFBE-MHWRWJLKSA-N 318.354 2.366 50 40 DEGB NNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 4836859 YQNACQBKOXAFRP-UVTDQMKNSA-N 315.760 2.101 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(O)cc2)c(OC)c1 6381337 QJZJYOBVJRUAOF-LICLKQGHSA-N 300.314 2.173 50 40 DEGB O=C(NN=C1CCCC1)C(=O)Nc1cccc(Br)c1 59515754 WMFUKGCIZKUZEG-UHFFFAOYSA-N 324.178 2.434 50 40 DEGB O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)c1cccs1 15473163 YJUICOWETUMYEP-CQSZACIVSA-N 315.398 2.002 50 40 DEGB Cc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1C 40177541 LSDUOAGNHBVDFI-ZDUSSCGKSA-N 315.822 2.062 50 40 DEGB COCCCNC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OC)c1 3570602 MCENDGUOMUWULN-IZZDOVSWSA-N 324.764 2.114 50 40 DEGB Cc1ccccc1NCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 223325 XDTPGGDXFMTSOL-LZYBPNLTSA-N 302.290 2.058 50 40 DEGB Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@H]2c2ccccc2)cc1 1633068 XMGMSRWEFFJJLL-ZIAGYGMSSA-N 315.760 2.105 50 40 DEGB O=C(CC(=O)NN=C1CCCCC1)NCCc1ccccc1 4199144 MQOZAIMQYSBOJH-UHFFFAOYSA-N 301.390 2.172 50 40 DEGB C/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(C)cc1 6786494 QVJSAZNDOSFUMW-CPNJWEJPSA-N 320.356 2.125 50 40 DEGB COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)N1CCCC1 409371092 FKYBAEVEYMXVLN-XYOKQWHBSA-N 301.302 2.133 50 40 DEGB CCOc1cc(/C=C(\C#N)C(=O)NCCOC)cc(Cl)c1O 192545045 AIXNHSYOOIOUPV-IZZDOVSWSA-N 324.764 2.114 50 40 DEGB O=C(CCl)N(c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 40177557 IRGUPLNTMCZFJS-NSHDSACASA-N 322.213 2.099 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccc2ccccc2n1 104872685 QPBULMMGJZCCTF-YHAURASGSA-N 321.336 2.117 50 40 DEGB NNC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 66057316 UTCSXRGIDBZZPC-UHFFFAOYSA-N 323.396 2.196 50 40 DEGB NNC(=O)COc1c(Cl)cc(Br)cc1Cl 66056281 GHJUQHCRCZJDIA-UHFFFAOYSA-N 313.966 2.125 50 40 DEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccccc1 3547476 PFVZYWGPRFOHPR-UHFFFAOYSA-N 304.733 2.423 50 40 DEGB CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(O)cc1 14187608 HFULIMHAYRWMQY-OAHLLOKOSA-N 314.341 2.011 50 40 DEGB COc1ccc(Cl)cc1Nc1nc(CC(=O)NN)cs1 223451640 YFSUBRDQXMTWEQ-UHFFFAOYSA-N 312.782 2.081 50 40 DEGB COc1ccc(OCC(=O)N/N=C2\CC(=O)CC(C)(C)C2)cc1 100018470 RZKKYNRQHDFIBD-LDADJPATSA-N 318.373 2.325 50 40 DEGB NC(=O)N/N=C1\CC(=O)N(c2ccccc2)[C@H]1c1ccccc1 104266716 UKIAXNMTOLINJG-TWQQJCIXSA-N 308.341 2.189 50 40 DEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@H]2C1 1288636 WCVMRVWKGVDBJB-JKSUJKDBSA-N 319.368 2.025 50 40 DEGB aggregator CC[C@H](Br)C(=O)Nc1ccc([N+](=O)[O-])cc1O 61997498 GQYWLPVPUQTHTI-ZETCQYMHSA-N 303.112 2.412 50 40 DEGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccnc1 15508259 KCLDYURHWKPVMP-UHFFFAOYSA-N 309.247 2.175 50 40 DEGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COc1cccc[n+]1[O-])C2 67768323 KXVKZWWVJQQHOD-YVJSFIOCSA-N 317.389 2.017 50 40 DEGB CC(=N\NC(=O)c1ccccc1)/C(=N/O)C(=O)Nc1ccccc1 20828682 FPMHXDGNWBRUIK-XUUFOINRSA-N 324.340 2.261 50 40 DEGB O=C(NCC1(c2ccccc2)CC1)NNC(=O)c1ccccc1 12986194 JEVRRZQMLUBVGA-UHFFFAOYSA-N 309.369 2.362 50 40 DEGB C/C(=N\NC(=O)c1cccnc1)c1ccc(-n2ccnc2)cc1 5071371 JKAXBDWBQYBEOZ-DEDYPNTBSA-N 305.341 2.421 50 40 DEGB C/C(=N\NC(=O)C(=O)Nc1cc(C)ccc1C)c1ccncc1 5218595 UZRBKGIYBHQBTO-DEDYPNTBSA-N 310.357 2.177 50 40 DEGB C/C(=N\NC(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 4888911 ICHGINRBIZMEDN-OVCLIPMQSA-N 321.724 2.136 50 40 DEGB COC(=O)c1cc(-c2ccc(/C=N/NC(N)=O)o2)ccc1Cl 8205583 XJXAIHFBPOVXNX-REZTVBANSA-N 321.720 2.389 50 40 DEGB COC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cccc(Cl)c1 57508983 OSYAMKJHTOXHBU-NSHDSACASA-N 315.156 2.360 50 40 DEGB O=C(CSc1ccncc1)NNC(=O)c1ccccc1Cl 23709699 FCUQNOYLYMYJQO-UHFFFAOYSA-N 321.789 2.288 50 40 DEGB N#CC(C#N)=CNCc1cc(Br)c2c(c1)OCO2 49099518 PTTITAJKZKZEMD-UHFFFAOYSA-N 306.119 2.198 50 40 DEGB CCN(C(=O)CCl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79392512 NWOCEPGJFCTXOU-LLVKDONJSA-N 304.818 2.473 50 40 DEGB CCN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)CCl)C1 79411887 UKPBBAKWNPKVPY-CQSZACIVSA-N 324.808 2.485 50 40 DEGB CN(C(=O)CCl)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79392643 LPKHSCBWVCCQCX-CQSZACIVSA-N 324.808 2.485 50 40 DEGB Cc1ccc(O)c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c1 561537 OKEAEIFQDIDVGZ-GIJQJNRQSA-N 312.325 2.122 50 40 DEGB O=C(N/N=C\C1CCCCC1)C(=O)N/N=C\C1CCCCC1 5329251 HULJRIHJZXXANM-WHYMJUELSA-N 306.410 2.351 50 40 DEGB O=C(O)COc1ccccc1/C=N/NC(=O)c1cccc(F)c1 4702474 SVZPRMHPLOJVPJ-GIJQJNRQSA-N 316.288 2.053 50 40 DEGB O=C(NNC(=O)c1ccco1)c1ccc(OC(F)(F)F)cc1 8355251 QOHRGHHFQZEQNZ-UHFFFAOYSA-N 314.219 2.253 50 40 DEGB CCOc1cc(/C=C(\C#N)[C@@H](N)C(C#N)C#N)cc(Cl)c1O 22239213 RQDPHSZAVBRISY-LTVLPBHKSA-N 316.748 2.342 50 40 DEGB O=C(CCl)NCC1CCN(C(=O)OCc2ccccc2)CC1 79392627 ABBJWSHDFLGTHE-UHFFFAOYSA-N 324.808 2.390 50 40 DEGB CCOc1cc(C(=O)NN)ccc1OCc1ccccc1F 216822662 WTQQVPMMUGTULG-UHFFFAOYSA-N 304.321 2.407 50 40 DEGB CCN(CC)c1ccc(N/N=C(/C#N)C(N)=C(C#N)C#N)cc1 16678192 HDJFFEYBLJKDES-JCMHNJIXSA-N 307.361 2.084 50 40 DEGB C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccncc1 20347483 LXQTUJYTTIWCPL-AWEZNQCLSA-N 313.382 2.437 50 40 DEGB O=C1OC(=O)[C@H]2[C@H]1[C@@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 100494302 FJDLXLHNYCLTEA-BNFJTBOVSA-N 301.940 2.364 50 40 DEGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccs1 3080068 WZCKYLXYEMBVMP-CXUHLZMHSA-N 301.371 2.454 50 40 DEGB O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCO1 21284290 GZIXIAMIWWWNQR-JTQLQIEISA-N 319.239 2.236 50 40 DEGB O=C(NNC(=O)c1ccccc1O)c1cccc(C(F)(F)F)c1 13006226 ZWXJGJCNUAXXMF-UHFFFAOYSA-N 324.258 2.486 50 40 DEGB Cc1occc1C(=O)NNC(=O)c1cccc(Br)c1 6646617 MZGVRBAOXLAERJ-UHFFFAOYSA-N 323.146 2.425 50 40 DEGB COc1cccc(/C=N/NC(=O)CNC2CCCCC2)c1OC 409383198 SHZGKMQKALJICA-YBFXNURJSA-N 319.405 2.076 50 40 DEGB Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(O)cc1 408997495 MRYQAZXIWVALOY-OVCLIPMQSA-N 300.343 2.174 50 40 DEGB S=C=NCCCOCCOCCOCCCN=C=S 72399472 GFRKEFDSVIQXSW-UHFFFAOYSA-N 304.437 2.022 50 40 DEGB in-vitro O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1O 5392483 IUQJWIRKFCQRSO-UHFFFAOYSA-N 323.352 2.267 50 40 DEGB Cc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cc2ccccc2)c1O 35396484 WKCJIBYGGGMQAG-LICLKQGHSA-N 313.313 2.302 50 40 DEGB N#CC1=CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 95468709 KVUICDGWCDSKKX-UHFFFAOYSA-N 300.742 2.323 50 40 DEGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@H]1COCCO1 32256741 FKKODJWHRNSQFE-QGZVFWFLSA-N 312.369 2.140 50 40 DEGB C=CCOc1cc(Br)c(C(=O)NN)cc1OCC 2775505 FJEXYAWOLDNCLR-UHFFFAOYSA-N 315.167 2.016 50 40 DEGB CCOCCOc1cccc(NC(=O)CBr)c1 35605158 QKTUZEIFLGAMSO-UHFFFAOYSA-N 302.168 2.435 50 40 DEGB COc1cc(C=C(C#N)C#N)ccc1OCC(=O)OC(C)C 408600347 BPXCHIMWKCOWGD-UHFFFAOYSA-N 300.314 2.456 50 40 DEGB CCCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21 6274425 XCOBZCAKDZZXCL-MNDPQUGUSA-N 323.352 2.283 50 40 DEGB CCOc1cc([C@@H]2CC(=O)NC(SC)=C2C#N)ccc1O 278393 AQXLUIGUCPAAFU-JTQLQIEISA-N 304.371 2.493 50 40 DEGB CCc1sc(C(=O)NN[C@H](C(N)=O)c2ccccc2)cc1C 26221798 XGFRFLYDTFUVKN-AWEZNQCLSA-N 317.414 2.080 50 40 DEGB Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 14251684 SHGAUAPAZJODFK-ZDUSSCGKSA-N 323.352 2.095 50 40 DEGB Cc1cc(C(=O)NN)c(C)n1-c1cccc(Br)c1 223705427 SIJJGWJOUWJLBQ-UHFFFAOYSA-N 308.179 2.460 50 40 DEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N(C)C)o2)cc1 582882 VCKAIBSUZGSHSE-LICLKQGHSA-N 314.345 2.068 50 40 DEGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)CCCl)cc1 2383461 SBZCJZXRRAOWBM-UHFFFAOYSA-N 319.792 2.484 50 40 DEGB CO[C@H](C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4677273 NLNKKBMSZJNJQS-VUVCFOEZSA-N 313.313 2.433 50 40 DEGB O=[N+]([O-])c1ccc(N2[C@@H](OO)c3ccccc3S2(=O)=O)cc1 59663160 WJLHLAPCANWUEY-ZDUSSCGKSA-N 322.298 2.292 50 40 DEGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccncc1 59459616 CARDEMZPPMMPTN-GIJQJNRQSA-N 316.748 2.132 50 40 DEGB CC(C)CC(=O)NNC(=O)COc1ccc2ccccc2c1 10160589 VKFHHUDOGQKTDX-UHFFFAOYSA-N 300.358 2.412 50 40 DEGB Cn1cc(C(=O)NN=Cc2ccc(O)c(O)c2)c2ccccc21 252679519 NPSQOXJFBTZLBO-UHFFFAOYSA-N 309.325 2.353 50 40 DEGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc1 32592 GFJVUMKWIRMLBY-OAHLLOKOSA-N 312.325 2.144 50 40 DEGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(O)cc2O)c1 566341 WSUQCACBFXPECC-GIJQJNRQSA-N 314.341 2.244 50 40 DEGB CCCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 2056580 NXRLQRGWQLAWKZ-QGOAFFKASA-N 303.406 2.411 50 40 DEGB CC(C)[C@H](Br)C(=O)N1CC(=O)Nc2ccccc21 20293532 FEDLSQZRFIEOEB-LBPRGKRZSA-N 311.179 2.391 50 40 DEGB in-vitro CCN(CC)C(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 59444336 ZUCFCZCOSHYKGK-LZYBPNLTSA-N 316.188 2.312 50 40 DEGB Cc1cccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)c1O 506225 GDZBUSRFBADTGY-VCHYOVAHSA-N 312.325 2.236 50 40 DEGB CCCCCC(=O)NNC(=O)CNc1nc2ccccc2s1 12869690 RDAGTZGZIFUQGP-UHFFFAOYSA-N 320.418 2.436 50 40 DEGB Cn1cc(CCC(=O)NNc2ccc(Br)cc2)cn1 48733549 IOAMRQRJACZALC-UHFFFAOYSA-N 323.194 2.259 50 40 DEGB O=C(N/N=C\c1cccc(Br)c1)c1cnccn1 33089284 FNIDDEAIMHWVMQ-APSNUPSMSA-N 305.135 2.003 50 40 DEGB COc1cccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)c1 5720967 USAHSQPFKDJDFQ-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccn1 5949380 DLFOORCGHHKLGQ-LZYBPNLTSA-N 304.693 2.407 50 40 DEGB CCOC(=O)C1=C(C)NC(N)=C(C#N)[C@H]1c1ccccc1F 3962219 MOVYRWQDILIKCR-CQSZACIVSA-N 301.321 2.043 50 40 DEGB C/C(=N\NC(=O)c1cccc2cccnc12)c1csc(N)n1 98055651 QUYDOWKYAHRNGP-DJKKODMXSA-N 311.370 2.428 50 40 DEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(C)cc1 166049 ICNMKNLQZOXNOM-CYBMUJFWSA-N 308.765 2.405 50 40 DEGB COc1ccc(C(=O)N/N=C2/CC(=O)c3ccccc32)cc1OC 103452651 FYFQGTXGBKZXBG-RGEXLXHISA-N 324.336 2.424 50 40 DEGB CCCCCCCC(=O)NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 254479774 MDVHGOHQCHRPDE-DDHJSBNISA-N 322.405 2.017 50 40 DEGB O=C(CCl)Nc1nc2ccc(N3CCOCC3)cc2s1 20131867 XWEMONDPJICNOG-UHFFFAOYSA-N 311.794 2.310 50 40 DEGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1 8973244 SKRHUYIAOHIWSN-GFCCVEGCSA-N 316.382 2.240 50 40 DEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(C#N)cc1 409265461 VACXIVPTYGKCJY-VCHYOVAHSA-N 324.296 2.239 50 40 DEGB Cc1ccc(NC(=S)NNC(=O)COc2ccccc2)cc1 1438687 HFPJGYMRVDNOJS-UHFFFAOYSA-N 315.398 2.392 50 40 DEGB COc1ccccc1/C=N\NC(=O)c1c(C)nc2ccccn12 38205990 BPDJOZJEXULACH-WQRHYEAKSA-N 308.341 2.415 50 40 DEGB N#C/C(=C\NC(=O)c1ccccc1)S(=O)(=O)c1ccccc1 80346098 QSAYWDUFAULQEH-NTCAYCPXSA-N 312.350 2.255 50 40 DEGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)NC[C@H]1CCCO1 3175980 JWYMYCOWZLBVSY-CEFACKQISA-N 322.311 2.490 50 40 DEGB N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)NC[C@H]1CCCO1 563944 LOMBWOPHFBYKLQ-IGEMTJHASA-N 306.749 2.248 50 40 DEGB N#CC(C#N)=Cc1cc(Br)c(N2CCOCC2)o1 59248727 QVDXTYIKCJGQPO-UHFFFAOYSA-N 308.135 2.309 50 40 DEGB Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3ccco3)cc2)n1 13004146 FYXNKJMVNQZZKL-UHFFFAOYSA-N 324.340 2.157 50 40 DEGB CN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21 14010403 HOVAHVLDWOEIGL-NBVRZTHBSA-N 313.744 2.451 50 40 DEGB Cc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)nn1C 253394123 AIOMMNAPGRRBES-CQSZACIVSA-N 312.373 2.179 50 40 DEGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 58883441 SBRFDUUKSQKXKF-CPNJWEJPSA-N 315.417 2.447 50 40 DEGB CCCOc1ccc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1OC 6162471 RVJRDBNNLBSPFQ-LICLKQGHSA-N 316.361 2.279 50 40 DEGB C/C(=N\NC(=O)C(=O)NC1CC1)c1ccc2c3c(cccc13)CC2 17680441 GNOKXDJOXFJFIM-SRZZPIQSSA-N 321.380 2.057 50 40 DEGB CCN(C(=O)CCl)C1CCN(C(=O)OC(C)(C)C)CC1 79392517 UXWAMEXHOYANIQ-UHFFFAOYSA-N 304.818 2.473 50 40 DEGB C[C@@H](I)CNc1ccc(C(=O)O)c(O)c1 2034990 QDBYIJXSVIQGAR-ZCFIWIBFSA-N 321.114 2.326 50 40 DEGB COc1ccc(CCC(=O)NNc2nc(C)cc(C)n2)cc1 22233474 XMZJZRYJQGGNQZ-UHFFFAOYSA-N 300.362 2.178 50 40 DEGB CC(=O)N/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 59427213 SUPNCLBVRVEWLX-CXUHLZMHSA-N 300.318 2.472 50 40 DEGB COC(=O)/C(C#N)=C(\SC)N1CCN(c2ccccc2)CC1 13030068 LQVJRXVBMQTOGG-PFONDFGASA-N 317.414 2.080 50 40 DEGB CNC(=O)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 5510388 BYRDHFBRGWBSBM-RGVLZGJSSA-N 305.337 2.189 50 40 DEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/C=C/c1ccco1 3027423 UVNSEDVEFHGOJA-KLKIZMIFSA-N 315.285 2.382 50 40 DEGB COc1ccc(S[C@@H](C)C(=O)NNc2ncccn2)cc1 44976599 VKPSIUNGKYZQSX-JTQLQIEISA-N 304.375 2.109 50 40 DEGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(OC)c1 408805599 HEHVVYXDCLCVQN-ZMTLZGASSA-N 313.357 2.419 50 40 DEGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1F 33482711 CPAHKUYZTXYQQJ-YVLHZVERSA-N 301.277 2.427 50 40 DEGB O=C(CSc1nnc(-c2ccncc2)o1)NN=C1CCCC1 547110 HWCQXBKYFUYKAW-UHFFFAOYSA-N 317.374 2.270 50 40 DEGB C[C@]1(C(=O)NNC(=O)Cc2ccc(F)cc2)CC1(Cl)Cl 36309977 YMUDERYTYZVHOR-GFCCVEGCSA-N 319.163 2.100 50 40 DEGB Cc1ccc(C(=O)NNC(=O)Cc2noc3ccccc23)cc1 8238157 GVOAIWZJRVTLQV-UHFFFAOYSA-N 309.325 2.140 50 40 DEGB O=C1CC[C@@H](C(=O)NN=C(c2ccccc2)c2ccccc2)CN1 84517741 XXGLMJYWWGNQSU-MRXNPFEDSA-N 321.380 2.081 50 40 DEGB COc1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)cc1[N+](=O)[O-] 252497957 QRXSSGALEFDHML-POHAHGRESA-N 313.269 2.256 50 40 DEGB CC[C@H](CC(C)(C)O)C(=O)NNC(=S)Nc1ccccc1 13544259 RMNBOJKGAAWJLB-LLVKDONJSA-N 309.435 2.191 50 40 DEGB O=C(C[S@@](=O)Cc1ccco1)Oc1ccc([N+](=O)[O-])cc1 77311684 AIVSDRDWRLUYDF-OAQYLSRUSA-N 309.299 2.042 50 40 DEGB in-vitro C/C(=N/NC(=O)CCc1c(O)n[nH]c1C)c1ccc(C)cc1 13646705 QVJGLJSJWFVZDT-BOPFTXTBSA-N 300.362 2.205 50 40 DEGB C=CCN1C(=O)/C(=N/NC(=O)c2ccccc2O)c2ccccc21 103385848 YPJYSLDHWUNIPV-KNTRCKAVSA-N 321.336 2.059 50 40 DEGB CN(C)c1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc1 28616282 YOQJEZKIRDCCPQ-ZDLGFXPLSA-N 311.341 2.245 50 40 DEGB N#Cc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1 409366581 WPJFXIVULABGFE-NDENLUEZSA-N 321.336 2.022 50 40 DEGB O=C(N/N=C/c1cccnc1)c1cccc(Cn2cccn2)c1 131900 RNNKNEXSAKVJMI-XDHOZWIPSA-N 305.341 2.090 50 40 DEGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)NCc1ccco1 5369474 XLEMKHAQUPCFNR-UYRXBGFRSA-N 313.357 2.021 50 40 DEGB NNC(=O)/C=C/c1ccc(OCc2cccnc2)c(Cl)c1 226332939 XNTZMUXZCMUUKM-GQCTYLIASA-N 303.749 2.317 50 40 DEGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1F 81883 YOUZNVJSVDLWRC-ZDUSSCGKSA-N 306.268 2.219 50 40 DEGB Nc1ccc(C(=O)NN2C(=O)[C@H](Cl)[C@@H]2c2ccccc2)cc1 1633067 XMGMSRWEFFJJLL-KGLIPLIRSA-N 315.760 2.105 50 40 DEGB COCCCNC(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCO2 96843518 HWERWXKSUQFMGM-WZUFQYTHSA-N 322.748 2.128 50 40 DEGB O=C(N/N=C\C=C\c1ccccc1)NNC(=O)c1ccccc1 104064857 UPAMJTZMCKWTTO-DQBOXZGESA-N 308.341 2.330 50 40 DEGB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1CC[C@@H]2CC[C@@H]1Cl 45070887 ZVKXEVYHEFWFRT-AVGNSLFASA-N 305.765 2.078 50 40 DEGB COCCNC(=O)/C(C#N)=C/c1cccc(Br)c1 6579878 YREKPDLCSREQGV-YRNVUSSQSA-N 309.163 2.119 50 40 DEGB Cc1nn(C)c(C)c1/C=C(\C#N)C(=O)NCCc1ccccc1 17031744 VPRMBNPCQILSKG-LFIBNONCSA-N 308.385 2.303 50 40 DEGB O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(O)cc1O 5943967 NDNCUVFBKXBKEK-FRKPEAEDSA-N 306.705 2.221 50 40 DEGB CN(C)CCCO[Si](C)(c1ccccc1)c1ccc(F)cc1 195781903 VCVJREUVOOGNAR-UHFFFAOYSA-N 317.480 2.484 50 40 DEGB CC1(C)O[C@@H]2CO[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O1 195852053 GGUHPZSNQRVIAY-WYUUTHIRSA-N 304.459 2.246 50 40 DEGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C(C)C)[C@@H]2C1 13471592 CBJHMVJKCOQIPV-HZPDHXFCSA-N 309.417 2.310 50 40 DEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(F)c1 6331274 OXBNOJYDUAPHDI-LICLKQGHSA-N 301.277 2.427 50 40 DEGB Cc1nc2sccn2c1C(=O)N/N=C/c1cccc(O)c1 409012991 LUAPRJXHEWSKQH-OVCLIPMQSA-N 300.343 2.174 50 40 DEGB N#CC1=C(N)Nc2nc(C(F)(F)F)nn2[C@H]1c1ccccc1 8559537 MVVCETWROJVQOL-VIFPVBQESA-N 306.251 2.006 50 40 DEGB COc1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 38827254 AQXMMOQYDGXWIR-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB N=C(NNC(=O)c1cccs1)c1cc2ccccc2oc1=O 2268694 QADIERDCAUHVTL-UHFFFAOYSA-N 313.338 2.114 50 40 DEGB Cc1cc(C)cc(C(=O)NCC(=O)NN(C)c2ccccc2)c1 12745654 XPNDGUSSMHJKIL-UHFFFAOYSA-N 311.385 2.201 50 40 DEGB N#Cc1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c(F)c1 408966579 MFWMYHUQQHTSDL-DJKKODMXSA-N 311.272 2.159 50 40 DEGB O=C(C[S@](=O)Cc1ccco1)Oc1ccc([N+](=O)[O-])cc1 77311682 AIVSDRDWRLUYDF-NRFANRHFSA-N 309.299 2.042 50 40 DEGB in-vitro O=C(N/N=C\c1cccs1)[C@H]1CC(=O)N(c2ccccc2)C1 6890009 QWLKMIKMDIXLJB-NJPLLEPOSA-N 313.382 2.251 50 40 DEGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(C#N)cc1)c1cccnc1 8499645 CODIVKUBJQIOLI-DZUMZMOTSA-N 308.341 2.261 50 40 DEGB Cn1cc(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccco2)c2ccccc21 84314269 LPQZHZUCMDIILW-QWHCGFSZSA-N 323.352 2.336 50 40 DEGB COCCCNC(=O)/C(C#N)=C/c1cc2c(cc1Cl)OCO2 408813684 QYQXZDFQLGANLO-VZUCSPMQSA-N 322.748 2.128 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)Nc2nnc(C)s2)cc1 141493 HVUUOOKOPLOASA-YRNVUSSQSA-N 300.343 2.401 50 40 DEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1C 5942607 TYDWBYGAVDVPKU-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB COC(=O)Nc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 16189882 BRPUPFVRYQNPOR-LICLKQGHSA-N 313.313 2.334 50 40 DEGB O=C(O)c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1 5583600 IYOCPFBVCCXNNO-CXUHLZMHSA-N 313.269 2.057 50 40 DEGB CCCCn1c(CCl)nc2c1c(=O)[nH]c(=O)n2CCCC 3888477 DHKXEKFKILYXDM-UHFFFAOYSA-N 312.801 2.225 50 40 DEGB Cc1ccc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)o1 408974016 UOORLLNIHQJVNX-BLLMUTORSA-N 315.358 2.247 50 40 DEGB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CCl)C1 79390993 JCJMHDPNNOZPAA-NSHDSACASA-N 304.818 2.472 50 40 DEGB Cc1cccc(-n2ncc(C(=O)NNC(=O)c3ccco3)c2C)c1 13009410 FJQQZLLYXDGJKJ-UHFFFAOYSA-N 324.340 2.157 50 40 DEGB O=C1c2ccccc2C(=O)c2c(NC[C@H](O)CCl)cccc21 4935400 QVNLDKAGSINHJE-SNVBAGLBSA-N 315.756 2.474 50 40 DEGB CC[C@@H](C(=O)NNC(=O)c1ccccc1)c1c(C)noc1C 75126531 AYCVUDUGIMVWHE-CYBMUJFWSA-N 301.346 2.246 50 40 DEGB Cc1nn(C)c(F)c1/C=N/NC(=O)COc1ccc(Cl)cc1 252510221 ZEWMHJJUHLIUSO-REZTVBANSA-N 324.743 2.050 50 40 DEGB O=C(N/N=C/c1ccccn1)c1cncc(Br)c1 257444 SAAINRNVGGREBZ-LZYBPNLTSA-N 305.135 2.003 50 40 DEGB C/C(CC(=O)NC1CCCCCC1)=N\NC(=O)c1cccnc1 101533889 ZAXOTODZPYYWDV-DEDYPNTBSA-N 316.405 2.416 50 40 DEGB Cc1c(/C=C(\C#N)C(=O)N2CCOCC2)c2ccccc2n1C 59678779 NIVOOZPJWCGRPJ-SDNWHVSQSA-N 309.369 2.253 50 40 DEGB CN(C[C@@H]1CCCCN1C(=O)CCl)C(=O)OC(C)(C)C 79408751 GLFWCRSQDRVVOG-NSHDSACASA-N 304.818 2.473 50 40 DEGB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)CCl 14404742 YPUQWKFTHQJVEB-UHFFFAOYSA-N 306.753 2.456 50 40 DEGB Cc1cc(C(=O)N/N=C2\C(=O)Nc3c2ccc(Cl)c3C)no1 17054801 SHSUYHQCISLYDX-UHFFFAOYSA-N 318.720 2.031 50 40 DEGB CO[C@@H](C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 4677274 NLNKKBMSZJNJQS-QAEAHILHSA-N 313.313 2.433 50 40 DEGB N#C/C(=C\Nc1ccc(C(N)=O)cc1)C(=O)Nc1ccccc1 57413967 FZDDILGZADRPSZ-ACCUITESSA-N 306.325 2.244 50 40 DEGB O=C(CSc1ccccc1F)NNC(=O)[C@@H]1CC=CCC1 15763899 LQTIQNCKNUDZJU-LLVKDONJSA-N 308.378 2.422 50 40 DEGB Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(F)cc2)n1 32116948 LYJHBAPHSDTHBZ-IUXPMGMMSA-N 318.377 2.475 50 40 DEGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC#N)cc1 17415709 ZHCDRYKAECWGIJ-UDWIEESQSA-N 323.352 2.427 50 40 DEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 7782314 FQWSMTKGSBRTKI-LBBJYAOWSA-N 316.188 2.358 50 40 DEGB C#CCOc1c(CC=C)cc(/C=N/NC(C)=O)cc1OCC 409009445 FYZMIJKSXLWCMB-LDADJPATSA-N 300.358 2.296 50 40 DEGB Cc1ccccc1OCC(=O)N/N=C\c1ccc2c(c1)OCO2 32181205 VBJABQBJDZDUOB-NVMNQCDNSA-N 312.325 2.253 50 40 DEGB O=C(CSCc1ccccc1)NNC(=O)c1ccccc1 3549730 YPTHKZSXDCRFQH-UHFFFAOYSA-N 300.383 2.381 50 40 DEGB COc1ccccc1NC(=S)NNC(=O)c1ccccc1F 4551124 LPQHJLMDAWZSLI-UHFFFAOYSA-N 319.361 2.466 50 40 DEGB CCOC(=O)/C(=N\Nc1ccc(OCC)cc1)C(=O)CCl 3267598 AWFITCRXKHTVBF-LGMDPLHJSA-N 312.753 2.224 50 40 DEGB CCOCCCNC(=O)/C(C#N)=C\c1ccc(NC(C)=O)cc1 82077276 PEGWPYZICNWDJZ-PTNGSMBKSA-N 315.373 2.095 50 40 DEGB O=C(CC(=O)NN=C1CCCCCCC1)NCc1cccnc1 59461601 GJWDERNAQGNIFQ-UHFFFAOYSA-N 316.405 2.304 50 40 DEGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1ccc(O)cc1 103385146 YJNBUCDRVJFWPM-LVZFUZTISA-N 316.316 2.180 50 40 DEGB Cc1nn(-c2nc3c(C)ccc(C)c3s2)c(C)c1C(=O)NN 57351382 HPOHOCVJSVIEOB-UHFFFAOYSA-N 315.402 2.319 50 40 DEGB O=C(N/N=C1/CCn2cccc21)c1cc(Br)c[nH]1 55355397 MLVWRQZWLJAGAT-DHDCSXOGSA-N 307.151 2.117 50 40 DEGB Cc1cccc(OCCC(=O)NNC(=O)Cc2ccccc2)c1 3428496 AOIGCAPHCNQTNQ-UHFFFAOYSA-N 312.369 2.154 50 40 DEGB Cc1ccc(-n2ncc(C(=O)NNC(=O)c3ccco3)c2C)cc1 12916733 SDBBOPJNKDJOOZ-UHFFFAOYSA-N 324.340 2.157 50 40 DEGB CCOc1cc2c(cc1/C=C(\C#N)S(C)(=O)=O)O[C@H](C)C2 7714192 UQTSEGHPSLLBLR-KUKWCLJQSA-N 307.371 2.318 50 40 DEGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(C)=O)c2C)cc1 409017845 GDKUQANEUBKEJG-VCHYOVAHSA-N 313.357 2.351 50 40 DEGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 342559 MBWIEVLZPLWMHG-LZYBPNLTSA-N 313.269 2.087 50 40 DEGB Cc1nn(C)cc1/C=N/NC(=O)NC12CC3CC(CC(C3)C1)C2 4844420 JJOVJRGPAIXAKD-GIJQJNRQSA-N 315.421 2.330 50 40 DEGB N#C/C(=C/c1ccco1)C(=O)NCC[S@](=O)c1ccccc1 78914652 YBWLUMGMOKCGDW-VZNHHXIYSA-N 314.366 2.111 50 40 DEGB CC(C)(C)OC(=O)N1CCC(N2C[C@@](C)(CCl)C2=O)CC1 1535644160 BDDDFYHWFDDHKE-OAHLLOKOSA-N 316.829 2.473 50 40 DEGB CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 247159 GZXWDLARHBIJJD-DKGMDFAASA-N 300.358 2.287 50 40 DEGB CCCS(=O)(=O)/C(C#N)=C/Nc1nc(C)cc(Cl)n1 160977 MGNHQAIXJGKVKL-VQHVLOKHSA-N 300.771 2.040 50 40 DEGB CCc1ccccc1N(C(=O)CCl)[C@H]1C=CS(=O)(=O)C1 4158571 CQGUPRKIFYVQKG-LBPRGKRZSA-N 313.806 2.132 50 40 DEGB N#CC(C(=O)CSc1cccc[n+]1[O-])=C1Nc2ccccc2N1 2661721 LYXJOEAUQOFJPM-UHFFFAOYSA-N 324.365 2.254 50 40 DEGB CCC[C@@H]1[C@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 971499 YJFXFXGJPWCQFN-JKSUJKDBSA-N 309.417 2.453 50 40 DEGB C/C(NCCCn1ccnc1)=C(/C#N)C(=O)NC1CCCCC1 4808991 PZPBZOLFMAIGQJ-JQIJEIRASA-N 315.421 2.109 50 40 DEGB NNC(=O)c1cccn1-c1ccc(Br)cc1Cl 223731080 PDUIZQVTOJWJPO-UHFFFAOYSA-N 314.570 2.497 50 40 DEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@@H]2C1 4730732 XSXJDVWVGUKTNT-CABCVRRESA-N 321.409 2.103 50 40 DEGB CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc(Cl)cc1 3274146 CGBGLWIGMDESQU-UHFFFAOYSA-N 306.771 2.058 50 40 DEGB Cc1ccc(C)c(SCC(=O)NNC(=O)c2ccncc2)c1 3384855 FDHAXGGYNKDIKZ-UHFFFAOYSA-N 315.398 2.252 50 40 DEGB O=C1Nc2ccccc2/C1=N\NC(=O)c1c[nH]c2ccccc12 6000057 ONXWKGJEKCKXOV-UHFFFAOYSA-N 304.309 2.254 50 40 DEGB COc1cccc(/C=N/NC(=O)CNc2cccc(C)c2)c1O 58685 IJAYHOVELTVXFM-VXLYETTFSA-N 313.357 2.271 50 40 DEGB O=C(CCCCl)NC(=S)Nc1ccc(C(=O)O)cc1 6615246 HDOLOOFYNGUQJF-UHFFFAOYSA-N 300.767 2.217 50 40 DEGB N[C@@H](CC(=O)O)c1cccc(N(CCCl)CCCl)c1 1676742 OFTRSXQYSTVKLF-LBPRGKRZSA-N 305.205 2.445 50 40 DEGB CCn1c(C(=O)NNC(=O)c2cccn2C)cc2ccccc21 83840119 HFENQTNWXQFJAT-UHFFFAOYSA-N 310.357 2.075 50 40 DEGB O=C(CCl)Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408535918 UQWAZJOSCVMFLO-UHFFFAOYSA-N 308.769 2.436 50 40 DEGB CC[C@@]12OC(=O)C(=O)N1c1ccc(Cl)nc1S[C@H]2Cl 2361843 CYEJWEDDSCLURF-MNOVXSKESA-N 319.169 2.402 50 40 DEGB C#CCOc1cccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1 408599007 NNKUOXCLFMRPEU-LDADJPATSA-N 323.308 2.371 50 40 DEGB CCn1c(C)nc2cc(C(=O)NNC(=O)C3CCCC3)ccc21 3318983 WTJOTHHORVGXPL-UHFFFAOYSA-N 314.389 2.316 50 40 DEGB O=C(N/N=C/c1cccnc1)c1ccc(Br)cc1O 126381 MTIKJQRVPGJRRX-LZYBPNLTSA-N 320.146 2.314 50 40 DEGB C[C@]12C[C@@H](Br)[C@@H](Br)C[C@@]1(C)C(=O)N2 104279149 ZEUFWIIXHNVBQQ-FAYXRDSDSA-N 311.017 2.202 50 40 DEGB O=C(N/N=C/c1cccc2c1OCCO2)c1ccc(F)cc1 54860978 VXPYKSARFDHPFF-VCHYOVAHSA-N 300.289 2.361 50 40 DEGB CCS(=O)(=O)[C@H](Br)C(=O)c1ccc(C)cc1 96517881 XTCXDBWDXAJBCA-NSHDSACASA-N 305.193 2.333 50 40 DEGB COC(=O)/C(C#N)=C/c1ccccc1I 3019756 IQZHTCRQCVYNDD-RMKNXTFCSA-N 313.094 2.371 50 40 DEGB CC/C(=N/NC(=O)c1cccnc1)c1ccc2c(c1)OCCO2 28184 CTBCYEGHYZPYLC-RGEXLXHISA-N 311.341 2.397 50 40 DEGB CCn1c(SCC(=O)/C(C#N)=C(/C)N)nc2ccccc21 104325522 VNEYMMUVLNIZFQ-KHPPLWFESA-N 300.387 2.474 50 40 DEGB CCC1=C(C(=O)OC)[C@H](c2ccccc2OC)C(C#N)=C(N)O1 1004532 DFXNIQJYWJNDHZ-CQSZACIVSA-N 314.341 2.340 50 40 DEGB Cc1cc(C(=O)NNC(=O)c2ccc(OCC(C)C)cc2)on1 8855575 GEVJRRIGVVTCFE-UHFFFAOYSA-N 317.345 2.093 50 40 DEGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)N(C)C 4705369 WCMGITXNZYSNHH-UXBLZVDNSA-N 309.163 2.453 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccc(C)o2)cc1[N+](=O)[O-] 5795557 LNJYEVGFBLQPKC-OVCLIPMQSA-N 303.274 2.269 50 40 DEGB NNC(=O)c1cccn1-c1ccc(Cl)cc1Br 223731422 UEQLFWOAYARVEE-UHFFFAOYSA-N 314.570 2.497 50 40 DEGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccccc1 259908 NZFCZUHSHMZNKQ-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB Cc1ccc(N(C(=O)CCl)[C@@H]2C=CS(=O)(=O)C2)cc1C 5546857 KDTKMKXJFKHEQD-CYBMUJFWSA-N 313.806 2.186 50 40 DEGB COc1ccc2ccccc2c1/C=N\NC(=O)c1cnccn1 33323598 GBIFNVXUMLWCFW-JMIUGGIZSA-N 306.325 2.402 50 40 DEGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Cl)c1O 549433 QAKZUHPAKDMKDP-REZTVBANSA-N 305.721 2.213 50 40 DEGB O=C(/C=C/c1ccco1)NNC(=O)c1cc(-c2ccccc2)n[nH]1 6653052 ODOSNVLYLSNBSQ-CMDGGOBGSA-N 322.324 2.144 50 40 DEGB Cc1cc(=O)n2c3ccccc3n(C[C@H](O)CCl)c2c1C#N 2231979 WFZLJLFITPCTQL-LLVKDONJSA-N 315.760 2.034 50 40 DEGB NNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1-n1cccc1 12360575 LMTPDVHUCZGMSH-UHFFFAOYSA-N 302.315 2.204 50 40 DEGB COc1cccc2c1NC(=O)/C2=N/NC(=O)c1cccc(C)c1 59472650 UXQXWUYYCRRZSQ-UHFFFAOYSA-N 309.325 2.090 50 40 DEGB COc1cc(/C=N/NC(=O)Cc2csc(C)n2)cc(OC)c1 5166530 IEJVKBGBYAXDLK-LZYBPNLTSA-N 319.386 2.162 50 40 DEGB Cc1cc(C)nc(SCC(=O)N/N=C\c2ccccc2)n1 31902278 OXOSOESPSBUVIL-SXGWCWSVSA-N 300.387 2.336 50 40 DEGB COC(=O)CS[C@H](NC(=O)c1ccccc1)C(Cl)Cl 101411127 DQSGMTJRMMNFDB-LBPRGKRZSA-N 322.213 2.452 50 40 DEGB CCC1=C(C(=O)OC)[C@H](c2cccc(F)c2)C(C#N)=C(N)O1 4183421 WXELVNOHZYMYIG-CYBMUJFWSA-N 302.305 2.470 50 40 DEGB COc1ccc(C=NNC(=O)c2sc(N)c(C#N)c2C)cc1 408728913 ALQZXXHSQBWCOD-UHFFFAOYSA-N 314.370 2.283 50 40 DEGB CC1=C/C(=N\NC(=O)c2sc(N3CCOCC3)nc2C)CC1 8498604 CBWDVCYCFVZYPJ-ATVHPVEESA-N 320.418 2.114 50 40 DEGB CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CCl)C1 79408840 SHJWVAQQVVJGDJ-LLVKDONJSA-N 304.818 2.473 50 40 DEGB NNC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl 226319458 UKPFTCLZWCQKJW-UHFFFAOYSA-N 321.720 2.431 50 40 DEGB Cc1ccccc1OCC(=O)NNC1=CC(=O)CC(C)(C)C1 18276110 SQXHQJYSAFKVQM-UHFFFAOYSA-N 302.374 2.268 50 40 DEGB O=C(O[C@H](Cl)C(Cl)(Cl)Cl)ON1C(=O)CCC1=O 2556902 NZLNRXJWZWZVSG-YFKPBYRVSA-N 324.931 2.139 50 40 DEGB CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(COC)c32)cc1 4631554 TVCVBTRWWREOIS-AWEZNQCLSA-N 310.357 2.337 50 40 DEGB CCCc1[nH]nc2c1[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 7078090 JBRZKMSFRFPSGF-AWEZNQCLSA-N 324.340 2.309 50 40 DEGB COc1ccc2[nH]c(C(=O)NNC(=O)c3ccccc3)cc2c1 9581808 MPZRJSVLKGCQDE-UHFFFAOYSA-N 309.325 2.251 50 40 DEGB COc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1 409122677 ATJBTRRBYPLYII-INIZCTEOSA-N 309.369 2.425 50 40 DEGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1 3104086 PJRAHVGKZFLLRY-MDZDMXLPSA-N 311.297 2.069 50 40 DEGB CC(=O)NN(/C=C1\C(=O)N(c2ccccc2)N=C1C)C(C)C 16102413 OIWGBUBIHKGCDQ-GDNBJRDFSA-N 300.362 2.055 50 40 DEGB CCC(=O)NNc1ncnc2c1cnn2-c1ccc(Cl)cc1 20662206 VJBNPGUMUAEDIS-UHFFFAOYSA-N 316.752 2.322 50 40 DEGB O=C(NNC(=S)NCc1ccccc1)c1cccc(F)c1 15873406 ZPYGOWNPXVBJBC-UHFFFAOYSA-N 303.362 2.135 50 40 DEGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])o1 86340 FSRNKSYGVUMTHV-LBPRGKRZSA-N 301.258 2.003 50 40 DEGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 362340 GSYBZWGFOONKKQ-LZYBPNLTSA-N 313.269 2.087 50 40 DEGB COc1cc2c(cc1/C=N\NC(=O)c1ccc(F)cc1)OCO2 409068857 JMXNRNSQLFEICM-LSCVHKIXSA-N 316.288 2.327 50 40 DEGB O=C(N/N=C1\CCc2c(O)cccc21)c1ccc2c(c1)OCO2 102203361 GBRQOPBOLLUTBZ-QGOAFFKASA-N 310.309 2.201 50 40 DEGB O=C(NNC(=S)Nc1ccccc1)c1ccccc1[N+](=O)[O-] 13545069 UFUYYPSBQFRSAH-UHFFFAOYSA-N 316.342 2.226 50 40 DEGB O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccncc1 569247 QUXDLSGOFNGOQW-UHFFFAOYSA-N 321.789 2.288 50 40 DEGB CCc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)nc1 4694176 ZIZZXCMDIIHIKS-OVCLIPMQSA-N 304.331 2.378 50 40 DEGB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H](C)Cl 96029374 RMJKTPPNLNJBLC-ZETCQYMHSA-N 301.726 2.056 50 40 DEGB Cn1nc(C(=O)N/N=C/c2ccc(F)s2)cc1C(F)(F)F 252499773 SEBWJZWBUUWWMP-FZSIALSZSA-N 320.271 2.403 50 40 DEGB CCc1cc2ccccc2nc1SCC(=O)NNC(C)=O 413303 NRUISRBIOCLUDR-UHFFFAOYSA-N 303.387 2.057 50 40 DEGB Cc1ccc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)s1 6788927 ZCYXXKXKBFDQPI-AXFHLTTASA-N 309.460 2.354 50 40 DEGB CCOc1c(Br)cc(/C=N/NC(C)=O)cc1OC 7946753 TTWKGZHQVWOGNA-VGOFMYFVSA-N 315.167 2.326 50 40 DEGB CC(C)NC(=O)CC(=O)N/N=C/c1c(Cl)cccc1Cl 59515328 JFWPLLPFDIEEPA-FRKPEAEDSA-N 316.188 2.358 50 40 DEGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 4525724 FYDMYODDNWTMKK-WOJGMQOQSA-N 303.406 2.349 50 40 DEGB CCNC(=O)NNC(=O)c1cccc(-n2c(C)ccc2C)c1 408569003 XXNQTVGNJWZWEG-UHFFFAOYSA-N 300.362 2.058 50 40 DEGB COC(=O)COc1ccc(/C=N/NC(=O)c2cccs2)cc1 562523 PEOBFPYYMPPCTQ-CXUHLZMHSA-N 318.354 2.064 50 40 DEGB Cc1ccccc1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 580264 PUYILMSFHPLDKE-LICLKQGHSA-N 313.313 2.432 50 40 DEGB COc1ccc(Cl)cc1/C=C\C=N/NC(=O)C[N+](C)(C)C 5030970 NBHLLEFGSVMVQE-TVISPNOQSA-O 310.805 2.170 50 40 DEGB Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)NN)c12 12394848 DLPMMAOFHPDOAI-UHFFFAOYSA-N 302.721 2.455 50 40 DEGB N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)NC(N)=O 8517159 QRFQXEVEPURGOM-GDNBJRDFSA-N 321.336 2.367 50 40 DEGB CCN(CC)S(=O)(=O)c1ccc2nc(CCl)[nH]c2c1 13637702 HWHDMTNQQRTCTL-UHFFFAOYSA-N 301.799 2.332 50 40 DEGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@@H]1c1cccnc1 5799489 CGRUQKDMYZGIBW-OAHLLOKOSA-N 317.304 2.406 50 40 DEGB COC(=O)CS[C@H](C)C(=O)C(C#N)=C1Nc2ccccc2N1 24226622 PADAEVGFCUWZMQ-SECBINFHSA-N 317.370 2.123 50 40 DEGB Cc1nn(-c2ccccc2)c(C)c1C(=O)NNC(=O)c1ccco1 8238444 NQAWVRAZVRAHAL-UHFFFAOYSA-N 324.340 2.157 50 40 DEGB CCOc1cc(/C=N/NC(C)=O)c(Br)cc1OC 409011071 LXFHPOPKIBYWNF-VGOFMYFVSA-N 315.167 2.326 50 40 DEGB C/C(=N\NC(=O)c1ccncc1)c1cc2ccccc2oc1=O 4728934 UQNZJQUFLKWHHH-YBFXNURJSA-N 307.309 2.342 50 40 DEGB Cc1ccccc1OCC(=O)NNC(=O)Nc1ccc(F)cc1 6925130 PSPVJFOPECQAKE-UHFFFAOYSA-N 317.320 2.366 50 40 DEGB O=C(NNC(=O)C1CC1)c1cc2cc(Br)ccc2o1 48078797 LJVXIVZIMHGLPD-UHFFFAOYSA-N 323.146 2.366 50 40 DEGB O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1ccccn1 9315183 WYKRZKMHJXSJQA-VXGBXAGGSA-N 315.760 2.300 50 40 DEGB CC(C)CC(=O)NNC(=O)c1ccc(Br)s1 8421258 GTTSQLBAJXJHGU-UHFFFAOYSA-N 305.197 2.318 50 40 DEGB CCn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cn1 253400593 LKJCYHBLJCAPBD-AWEZNQCLSA-N 312.373 2.354 50 40 DEGB Cc1nn(C)c(C(=O)N/N=C/c2ccc(F)s2)c1Cl 252487958 IFTBTHQZJCXREX-LHHJGKSTSA-N 300.746 2.346 50 40 DEGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)C(N)=O 446147 ULLJUVOMIUHYAV-NTEUORMPSA-N 315.336 2.327 50 40 DEGB O=C(N/N=C/c1c[nH]nc1-c1ccccc1)[C@@H](O)c1ccccc1 5323891 KAJRAPCOHCIEQG-RONKMWSCSA-N 320.352 2.260 50 40 DEGB CC(C)(C)C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 6262527 XQJRVKQSVMVDJB-UHFFFAOYSA-N 313.810 2.022 50 40 DEGB CC(C)CN1C(=O)/C(=N\NC(=O)c2cccnc2)c2ccccc21 6459387 ASNGOOVDUZLCOR-SILNSSARSA-N 322.368 2.218 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1 409230615 DKFYFHXSFNYZFL-MFOYZWKCSA-N 317.276 2.132 50 40 DEGB O=C(CSc1ccccc1)N/N=C1/C(=O)Nc2ccccc21 59165848 OJALTJXMZBXWGD-UHFFFAOYSA-N 311.366 2.251 50 40 DEGB Cc1ccsc1/C=N/NC(=O)CC(=O)NC1CCCCC1 59435571 CUGSYSWWGKNJTE-MHWRWJLKSA-N 307.419 2.346 50 40 DEGB CC(C)(C)c1ccc(OCC(=O)NNC(=O)C(F)(F)F)cc1 1891568 RFJNGWFOKURBLF-UHFFFAOYSA-N 318.295 2.073 50 40 DEGB COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(OC)c(SC)c1 75137492 WTZATIKWKHAARJ-NUBYWOLOSA-N 320.414 2.475 50 40 DEGB CCOc1ncccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 137987 JBLRVLQFQMLLAX-LICLKQGHSA-N 314.301 2.152 50 40 DEGB COc1cccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)c1O 313723 JIWQQBRZVZLNEV-GYKGCMEESA-N 314.341 2.239 50 40 DEGB Cc1ccc([C@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@@H]32)cc1 5546274 PUVDOYDENXOXGD-MJVIPROJSA-N 322.290 2.267 50 40 DEGB CCCCNC(=O)/C(C#N)=C/Nc1ccccc1C(=O)OC 11692032 DXBNPTLDNFLHBW-VAWYXSNFSA-N 301.346 2.209 50 40 DEGB COC(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 102981416 SOSVRISIUBXAPP-OBGWFSINSA-N 309.325 2.294 50 40 DEGB CCCCNC(=O)/C(C#N)=C\Nc1ccc(C(=O)OC)cc1 102599621 CPZMSORNVSNFMB-QBFSEMIESA-N 301.346 2.209 50 40 DEGB COC(=O)N/N=C(/C)c1cccc(NC(=O)C(F)(F)F)c1 5620664 KUJHJFWMSQOIJN-IDUWFGFVSA-N 303.240 2.267 50 40 DEGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 408995442 CTTZGLRCNPDPAB-DJKKODMXSA-N 315.295 2.072 50 40 DEGB CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1 328335 XBYSLDKROYAGCL-UHFFFAOYSA-N 311.341 2.028 50 40 DEGB O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1cccc(Cl)c1 59475510 RRJIREHYNKHKBY-RQZCQDPDSA-N 317.732 2.134 50 40 DEGB COc1ccccc1NC(=O)NNC(=O)CCc1ccccc1 15933962 AJVWMVRCFYNJRV-UHFFFAOYSA-N 313.357 2.481 50 40 DEGB CC(C)(C)OC(=O)N1CC[C@H](CN(C(=O)CCl)C2CC2)C1 79392580 MLLFNUYAFUDYQE-NSHDSACASA-N 316.829 2.473 50 40 DEGB N#C/C(=C\c1ccccc1)C(=O)ON1C(=O)c2ccccc2C1=O 408754614 WSLQNMQDEJLNSO-JLHYYAGUSA-N 318.288 2.348 50 40 DEGB CCc1ccc2c(CC(=O)NNC(=O)c3ccncc3)coc2c1 32975383 JOOINJZVSRFUSU-UHFFFAOYSA-N 323.352 2.394 50 40 DEGB COc1ccc(NC(=O)/C(C#N)=C2\N=C(N)c3ccccc32)cc1 73641595 WPYFHWLFBFUZKH-NXVVXOECSA-N 318.336 2.287 50 40 DEGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccco3)CC2=O)cc1 409159143 UZVQJBVKAKGANQ-VQIMKDEXSA-N 311.341 2.091 50 40 DEGB CC(C)=NO[C@@]1(c2ccccc2)OC(N)=C(C#N)C1=C(C#N)C#N 100242196 BKFOVYQWUMIQFI-QGZVFWFLSA-N 319.324 2.320 50 40 DEGB O=C(Cc1cc(O)n[nH]1)N/N=C/C(Cl)=C\c1ccccc1 548706 FBZXVLKGAAWMCE-UPFKAIBTSA-N 304.737 2.040 50 40 DEGB COc1ccccc1C(=O)NNC(=O)c1cc(F)ccc1F 4671584 VNOCRMBWQIFCHJ-UHFFFAOYSA-N 306.268 2.048 50 40 DEGB N#CC1=C(N)Oc2ccc([N+](=O)[O-])cc2[C@@H]1c1ccc(N)cc1 1433782 ORXBFIGKSPDIDB-HNNXBMFYSA-N 308.297 2.395 50 40 DEGB COc1ccnc(NNC(=O)c2ccccc2C(F)(F)F)n1 32818514 ZIDVZHUXRNCOTD-UHFFFAOYSA-N 312.251 2.261 50 40 DEGB Cc1ccc2c(c1)c(=O)c1c3n2CCN(C(=O)CCl)[C@@H]3CC1 506900 OUTWDXPGWJBTIY-CQSZACIVSA-N 316.788 2.378 50 40 DEGB aggregator CCCC[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1 2194308 ZMFSHJMWRKJXOQ-OCCSQVGLSA-N 320.389 2.365 50 40 DEGB COc1cccc(CC(=O)NNC(=O)c2cccc(Cl)c2)c1 3555108 QWMSZZJJWSHNEG-UHFFFAOYSA-N 318.760 2.352 50 40 DEGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(OC)c1OC 16437852 QFZXQFHCUHTZKY-MDWZMJQESA-N 316.357 2.242 50 40 DEGB COc1ccc(/C(C)=N/NC(=O)c2ccco2)cc1[N+](=O)[O-] 5222839 XZVHSLIXQVVAQP-OQLLNIDSSA-N 303.274 2.350 50 40 DEGB C=CCN1C(=O)/C(=N\NC(=O)c2cccc(F)c2)c2ccccc21 18192147 LCPVZKBGSYOFPQ-SILNSSARSA-N 323.327 2.492 50 40 DEGB Cc1cc(C(=O)NN)c(C)n1-c1ccc(Br)cc1 223705593 IRZAHQVGYPTOEV-UHFFFAOYSA-N 308.179 2.460 50 40 DEGB CCn1ncc(Cl)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253407382 WFHKXFSXXDSMSE-LBPRGKRZSA-N 318.764 2.371 50 40 DEGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1ccc(Cl)cc1Cl 18057196 LBKCOCXYFWIQLM-GIDUJCDVSA-N 313.144 2.115 50 40 DEGB O=C1OC(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2C12C[C@H]2[C@@H]1CC(F)(F)C1(F)F 100023743 WILPAPVUDZVAGG-NRNPDCPVSA-N 316.250 2.415 50 40 DEGB CCOC(=O)NNC(=O)c1cnn(-c2ccccc2)c1C(C)C 30578972 VXTAXCNZVCXUOB-UHFFFAOYSA-N 316.361 2.387 50 40 DEGB COc1ccc(C(=O)NNC(=O)c2cc3ccccc3[nH]2)cc1 4694285 SIVXCYSDPOPWMU-UHFFFAOYSA-N 309.325 2.251 50 40 DEGB CCOCCCNC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1 5996747 LKXACJABQVXYKR-GDNBJRDFSA-N 302.374 2.459 50 40 DEGB O=C(Cn1cnc2ccccc21)N/N=C1\CCc2c(O)cccc21 84605653 DBOQJZFNWQNJOI-XSFVSMFZSA-N 320.352 2.209 50 40 DEGB O=C(N[C@@H]1CCCN(C(=O)CCl)C1)OCc1ccccc1 79411741 RADHCSBXJDPHQT-CYBMUJFWSA-N 310.781 2.143 50 40 DEGB CCCCCCCC(=O)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O 100980667 WFNJWOIMLKOISB-CHWSQXEVSA-N 312.410 2.385 50 40 DEGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1ccccc1[N+](=O)[O-] 100922305 XFEQCMKCPFCZCS-LICLKQGHSA-N 320.349 2.005 50 40 DEGB N#C/C(=C\c1cccc(Cl)c1)c1n[nH]c(Cn2cncn2)n1 4051592 JXHNDLZDXPSJRU-NYYWCZLTSA-N 311.736 2.162 50 40 DEGB CCN1C(=O)/C(=N/NC(=O)c2ccc(OC)cc2)c2ccccc21 5708979 SUWBJNAHLVCGSC-KNTRCKAVSA-N 323.352 2.196 50 40 DEGB CC1(CC(=O)N/N=C/c2ccc(O)c(O)c2)SCCS1 6348140 KTFLTEXLQRSHFL-RIYZIHGNSA-N 312.416 2.134 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc1C 50090 OIQBDQOYVITFRR-GIJQJNRQSA-N 314.341 2.244 50 40 DEGB O=C(NNc1ccccc1)Nc1cccc(N2CCNC2=O)c1 56498708 JMDNNURIMRCCRH-UHFFFAOYSA-N 311.345 2.365 50 40 DEGB COc1ccccc1OCC(=O)NN=C(CCl)CCl 100244335 QOGKTWMWIROGRU-UHFFFAOYSA-N 305.161 2.024 50 40 DEGB O=C(NNC(=O)c1ccccc1O)c1ccc(C(F)(F)F)cc1 33744 BAWZGIQHIPOWQQ-UHFFFAOYSA-N 324.258 2.486 50 40 DEGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1O 102125727 HBZWUIFVFWLASJ-BOPFTXTBSA-N 313.313 2.383 50 40 DEGB C=CCNC(=S)NNC(=O)c1ccccc1OCCCC 2064520 KWKVSHLYHNGLPR-UHFFFAOYSA-N 307.419 2.160 50 40 DEGB O=C(CC1(C(=O)O)CCCCCC1)NNC(=O)c1cccs1 10023326 GATJUYLRWHEAAG-UHFFFAOYSA-N 324.402 2.324 50 40 DEGB O=C(NNC(=O)c1ccccn1)c1ccc(C(F)(F)F)cc1 8197491 IJMKHYKUKZQLAS-UHFFFAOYSA-N 309.247 2.175 50 40 DEGB CCOC(=O)C/C(C)=N\NC(=O)COc1cc(C)cc(C)c1 408955699 OYGYMMDIYKJGOL-LGMDPLHJSA-N 306.362 2.128 50 40 DEGB COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OCC#N 3574800 LJQZIOFRGIZTSA-LICLKQGHSA-N 305.334 2.456 50 40 DEGB Cc1nc(CC(=O)N/N=C2\C(O)=Nc3ccc(F)cc32)cs1 5166561 NPMUCNOUCFSXMB-UHFFFAOYSA-N 318.333 2.255 50 40 DEGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@H]1c1cccnc1 5799478 CGRUQKDMYZGIBW-HNNXBMFYSA-N 317.304 2.406 50 40 DEGB Cc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)o1 62816 WBDMTRYESAXERV-WOJGMQOQSA-N 311.341 2.479 50 40 DEGB O=C1C=C(NNC(=O)c2cccnc2)C[C@H](c2ccccc2)C1 52143 JMOJHGDNHSZMJD-HNNXBMFYSA-N 307.353 2.347 50 40 DEGB CC(=O)NNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 32892718 GDPYNXHJDVSKBK-UHFFFAOYSA-N 322.324 2.185 50 40 DEGB C[C@@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3252705 DSOBGUAOLYUXTM-SNVBAGLBSA-N 316.810 2.037 50 40 DEGB NNC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408617470 CJYALLFRPGTSDC-UHFFFAOYSA-N 313.744 2.432 50 40 DEGB COc1ccc(/C=C/C(=O)NNC(=O)c2ccoc2C)cc1 70772 HCHYDPFIOSILEN-VMPITWQZSA-N 300.314 2.071 50 40 DEGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OC 6537660 CPHGTGMVQSSIGG-GXDHUFHOSA-N 318.373 2.154 50 40 DEGB N#CSc1ccc(NC(=O)CSc2nnc(N)s2)cc1 2739369 GDPXTFZWHNHBIK-UHFFFAOYSA-N 323.428 2.424 50 40 DEGB COc1c(C)cnc(Cn2cc(CBr)nn2)c1C 52226616 NCAUCIYLZXXVDK-UHFFFAOYSA-N 311.183 2.242 50 40 DEGB Cc1ccccc1SCC(=O)NNC(=O)c1ccccc1O 5392487 SDKWONRTOYMSPO-UHFFFAOYSA-N 316.382 2.254 50 40 DEGB Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2cc(C)oc2C)c1 16149724 IIDIJFUBEQIRLK-UHFFFAOYSA-N 322.386 2.137 50 40 DEGB CC1(C)C(=O)[C@]2(Br)CC[C@@]1(C=O)[C@@H]2Br 85398844 BHBBKYJAFTZJJA-QUNWWBBNSA-N 324.012 2.472 50 40 DEGB COc1ccc(/C=N/NC(=O)Cc2cccs2)cc1[N+](=O)[O-] 19877816 LMFGKYRIAHSOFL-OQLLNIDSSA-N 319.342 2.358 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C/c1ccccc1C(=O)O 46568833 VPVWRFYTYMZRHG-VCHYOVAHSA-N 300.289 2.217 50 40 DEGB Cc1cc(C)cc(NC(=S)NNC(=O)c2ccncc2)c1 2784503 USWBXSIRLWKUEA-UHFFFAOYSA-N 300.387 2.330 50 40 DEGB COc1cc(N2C[C@@H](C(=O)Cl)CC2=O)c(OC)cc1Cl 45953059 WNARDOPHGPJKTD-ZETCQYMHSA-N 318.156 2.476 50 40 DEGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccco1 5540632 YGYISEUXFYUZIU-LZYBPNLTSA-N 305.721 2.330 50 40 DEGB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=N)CSS(=O)(=O)O)C2 101160215 AKFGKNDBVKJPBX-KBVBSXBZSA-N 306.453 2.304 50 40 DEGB CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)OC(=O)[C@H]12 408870279 VUFOLWXCKJIJLE-RXCRORICSA-N 318.328 2.336 50 40 DEGB O=C(CBr)C1CN(C(=O)OCc2ccccc2)C1 952958881 GARMSXYJABHUGJ-UHFFFAOYSA-N 312.163 2.219 50 40 DEGB CN(C)c1cccc(C(=O)N/N=C/c2ccc(N(C)C)o2)c1 372642 TUTSWVSZBYUWNW-GZTJUZNOSA-N 300.362 2.176 50 40 DEGB CCCCCn1nc(C)c(/C=N\NC(=O)c2cc(C)n[nH]2)c1C 16739490 DEYIAPRRGVWGQG-YVLHZVERSA-N 316.409 2.486 50 40 DEGB C/C(=N/NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1O 100833833 FMIMSTUCVCHGCS-GYXHFJGISA-N 312.325 2.072 50 40 DEGB O=C(CN1CCCc2ccccc21)N/N=C/c1ccccc1O 3342585 HVVSKJJDJYOLMQ-XDHOZWIPSA-N 309.369 2.295 50 40 DEGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccccn1 8278984 XNPRZZNFTOOLFZ-UHFFFAOYSA-N 321.336 2.075 50 40 DEGB COc1cc(/C=N/NC(N)=O)ccc1OCc1ccccc1C#N 408742558 RQCYHOKJUBELPE-KEBDBYFISA-N 324.340 2.148 50 40 DEGB COc1ccc(C(=O)NN)cc1-c1cc2ccccc2oc1=O 216936769 VAXWDWVIVQPUKF-UHFFFAOYSA-N 310.309 2.072 50 40 DEGB O=C1OC(=O)c2ccccc2/C1=N\Nc1cccc([N+](=O)[O-])c1 95686756 IRUCZGVNPNWRFQ-GHRIWEEISA-N 311.253 2.108 50 40 DEGB C/C(=N/NC(=O)c1ccncc1)c1cc2ccc(O)cc2oc1=O 492931 POIIUBLSZKGDBP-GRSHGNNSSA-N 323.308 2.048 50 40 DEGB O=C(N/N=C/c1ccc(F)cc1F)[C@H]1COc2ccccc2O1 5164173 MCUFRVIXBIYPKL-ODGHKMFZSA-N 318.279 2.255 50 40 DEGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(O)c(O)c1 307969 ZOTAUZSOXMYYOG-RQZCQDPDSA-N 304.733 2.444 50 40 DEGB O=C(N/N=C/c1cccc(F)c1)[C@@H]1COc2ccccc2O1 3170363 NMYJUAAMPZTGKT-UPAIAECRSA-N 300.289 2.116 50 40 DEGB O=C(NC[C@@H]1CCCO1)NN=C1CCN(C2CCCCC2)CC1 64911145 FGVANNHYIIDIOF-INIZCTEOSA-N 322.453 2.249 50 40 DEGB CC[C@H](Br)C(=O)Nc1cc([N+](=O)[O-])ccc1O 72193590 RCFQXVKOZWNOPN-ZETCQYMHSA-N 303.112 2.412 50 40 DEGB CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CCl)C1 79408848 SHJWVAQQVVJGDJ-NSHDSACASA-N 304.818 2.473 50 40 DEGB COc1ccccc1/C=N/NC(=O)CN1Cc2ccccc2C1 8169063 RAKAUEQMCVJQGT-VXLYETTFSA-N 309.369 2.161 50 40 DEGB CC(C)(C)OC(=O)N/N=C/c1ccc(N2CCOCC2)cc1 3574675 AKXIKXQFMLSSKP-SFQUDFHCSA-N 305.378 2.382 50 40 DEGB O=C(CNC(=O)c1ccccc1)N/N=C/c1ccccc1Cl 4079614 LSJDJZCZYDEASK-VXLYETTFSA-N 315.760 2.220 50 40 DEGB Cc1cccc(OCC(=O)NNC(=O)c2ccoc2C)c1C 6549666 UUKUGUQCJFZAGB-UHFFFAOYSA-N 302.330 2.045 50 40 DEGB COc1ccc(CC(=O)NNC(=O)c2ccc(C)cc2C)cc1 5271749 SAJLEETXVNHARL-UHFFFAOYSA-N 312.369 2.316 50 40 DEGB CCN(CC)c1nc2c(C)cccn2c(=O)c1C=C(C#N)C#N 239876 VBQJXWDBYHPTLX-UHFFFAOYSA-N 307.357 2.280 50 40 DEGB O=C1C=C(NNC(=O)c2ccncc2)C[C@@H](c2ccccc2)C1 268351 UNIWTKDLPRNLBR-OAHLLOKOSA-N 307.353 2.347 50 40 DEGB O=C(CSc1ccc(F)c(F)c1)NNC(=O)c1ccco1 7107548 UMGNEVQVZOOEAK-UHFFFAOYSA-N 312.297 2.111 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1[N+](=O)[O-] 36223940 QLVLUQQVNZMJFR-YVLHZVERSA-N 301.277 2.427 50 40 DEGB O=C(COc1ccc(F)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 137790 GERHVFWREPAEMK-RQZCQDPDSA-N 317.276 2.263 50 40 DEGB COc1ccc(Cl)cc1/C=C/C=N/NC(=O)C[N+](C)(C)C 1709666 NBHLLEFGSVMVQE-ZUZMZGHOSA-O 310.805 2.170 50 40 DEGB O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1cccc(O)c1 8829099 AACAEFJUSSVLPI-UHFFFAOYSA-N 314.263 2.196 50 40 DEGB C[C@H](Oc1ccc(/C=N/NC(=O)c2cccs2)cc1)C(=O)O 566073 SXOIZATZZXEPGH-JSJZUPIVSA-N 318.354 2.364 50 40 DEGB COC(=O)c1ccc(/C=N/NC(=O)NC2CCCCC2)cc1 3283569 VRTVWRVXHCAVEA-GZTJUZNOSA-N 303.362 2.439 50 40 DEGB NC(=O)N/N=C/C(Cc1ccccc1)=N\OCc1ccccc1 18063287 OXOCSFROJHOSIF-VUSHSRTPSA-N 310.357 2.456 50 40 DEGB CC(C)(C)c1ccc(OCC(=O)NN)c(Br)c1 578928 QGGHZQNHHOZQRE-UHFFFAOYSA-N 301.184 2.115 50 40 DEGB COc1ccc(CCC(=O)NNC(=O)c2cc(C)oc2C)cc1 3524239 RNEKTNAHDYIBDE-UHFFFAOYSA-N 316.357 2.299 50 40 DEGB COc1ccc(C(=O)N/N=C/c2c(OC)cccc2OC)cc1 408973871 WCEWVEPWLJMOQV-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB O=C(COc1ccc(Cl)cc1)NNCc1ccccc1O 8023160 FQJFIRPYIFNGNC-UHFFFAOYSA-N 306.749 2.245 50 40 DEGB N#CC1=C(S)N(c2ccccc2)[C@H](c2cccnc2)NC1=O 541325 ILGYPBMYZIFOQW-CQSZACIVSA-N 308.366 2.382 50 40 DEGB Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)CCl)c2c1C#N 2231980 WFZLJLFITPCTQL-NSHDSACASA-N 315.760 2.034 50 40 DEGB CCN(CC)c1ccc(/C=N/NC(=O)CN2CCCCC2)o1 408994786 JBCLMGZAIFKBFR-SFQUDFHCSA-N 306.410 2.062 50 40 DEGB N#CC1=C(N)n2ncnc2N[C@@H]1c1cccc(Cl)c1Cl 18199155 UORKGBQWVKBPKF-SNVBAGLBSA-N 307.144 2.403 50 40 DEGB CC(=O)N(/N=c1\scc(-c2ccccc2)n1C(C)=O)C(C)=O 16948822 JTYONYUMLIARDB-NXVVXOECSA-N 317.370 2.087 50 40 DEGB COCCCNC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC 53103322 LJWAIFBBWUHWIR-XYOKQWHBSA-N 308.765 2.408 50 40 DEGB CC(C)(C)NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 59435492 VLSKQLPWSPZVFN-QGMBQPNBSA-N 315.295 2.070 50 40 DEGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccccc3O)n2c1 59444039 TWJWLMFEDGTZIU-GIJQJNRQSA-N 308.341 2.421 50 40 DEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1 354773 WOHNISVLVOSZRX-DZGCQCFKSA-N 321.409 2.103 50 40 DEGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1F 2639433 NICWPPHCLYOFEV-UHFFFAOYSA-N 311.316 2.311 50 40 DEGB COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1O 498363 BONQIDHNIFJLAJ-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(N)=O)cc2)cc1 408765271 OSFXJVKEXIAAOV-GXDHUFHOSA-N 322.320 2.307 50 40 DEGB CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccoc3)[C@@H]2C1 13471546 WCVMRVWKGVDBJB-HZPDHXFCSA-N 319.368 2.025 50 40 DEGB COc1cccc(/C=N/NC(=O)c2ccc(C#N)cc2)c1OC 57787491 YTKHJRHJKOKJCF-YBFXNURJSA-N 309.325 2.339 50 40 DEGB COc1ccc(/C=N/NC(=O)c2cccc(O)c2)cc1OC 1463792 SVBOUVWHZVCGSF-LICLKQGHSA-N 300.314 2.173 50 40 DEGB C/C(=N\NC(=O)CCc1ccccc1O)c1cc(O)ccc1O 408564344 YSNGGGVGTQVBNU-WOJGMQOQSA-N 314.341 2.276 50 40 DEGB CCOc1ccc(/C=C(\C#N)C(=O)NCCOC)cc1OCC 194992689 WKNHVUGLLASPPF-GXDHUFHOSA-N 318.373 2.154 50 40 DEGB Cc1ccc(S(=O)(=O)NNC(=O)/C=C/c2ccccc2)cc1 1715497 ZZDRAZWVLMPUAR-FMIVXFBMSA-N 316.382 2.018 50 40 DEGB CCc1ccc([C@@H]2NC(=O)NC(CCl)=C2C(=O)OC)cc1 57509223 WIZFTSYIHFMWMC-ZDUSSCGKSA-N 308.765 2.269 50 40 DEGB COC1(OC)OC=C(C#N)[C@@H](c2ccccc2)C1(OC)OC 4568199 HULCTWQDMZDEJS-CQSZACIVSA-N 305.330 2.144 50 40 DEGB N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)NC1CCCC1 4544499 SOUZPQYONZVNSP-MDWZMJQESA-N 314.341 2.116 50 40 DEGB O=C(CN1CCCc2ccccc21)N/N=C1/CCCCCN1 89861062 UWZIFCAPHGDAAN-UHFFFAOYSA-N 300.406 2.033 50 40 DEGB CS(=O)(=O)[C@@H](Cl)[C@@H](O)c1ccc(Br)cc1 96518835 UWDOYVSHXIGGEP-DTWKUNHWSA-N 313.600 2.092 50 40 DEGB COc1ccccc1OCC(=O)N/N=C(\C)c1ccccc1O 5816638 GWHLJDNMRZNSBF-LDADJPATSA-N 314.341 2.320 50 40 DEGB CC12C[C@@H]3C[C@H](C1)CC(C(=O)NNC(=O)c1cccnc1)(C3)C2 12624303 IWQKKIADXQRQAY-NLKGSNSHSA-N 313.401 2.449 50 40 DEGB CC(C)(C)OC(=O)N1C(=O)OC(=O)[C@@H]1COCc1ccccc1 103656462 VSJAGMGULQARLW-LBPRGKRZSA-N 321.329 2.486 50 40 DEGB COCc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1 59522898 OOHCPNHCAQCBMS-OVCLIPMQSA-N 303.274 2.098 50 40 DEGB Cc1ccc(S(=O)(=O)NNC(=O)c2cccc(Cl)c2)cc1 5545702 DVFFPPYDALFUMN-UHFFFAOYSA-N 324.789 2.272 50 40 DEGB CC(C)OC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1 6279681 KEUNSQNSQNEDFJ-RVDMUPIBSA-N 300.358 2.382 50 40 DEGB CC[C@H]1S/C(=C(/C#N)C(N)=O)N(c2ccc(C)cc2)C1=O 2344021 YBCYXVZSJVPGHI-QJMZJAKPSA-N 301.371 2.074 50 40 DEGB Cc1cccc(OCCCC(=O)NNC(=O)c2ccccn2)c1 7653107 HUJRMSJOJTXBRR-UHFFFAOYSA-N 313.357 2.010 50 40 DEGB Cc1ccc([C@@H]2[C@@H]3COCC=C3C(C#N)=C(N)C2(C#N)C#N)o1 19852926 DAPRRNFLTZRANJ-HIFRSBDPSA-N 306.325 2.028 50 40 DEGB O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)c1ccncc1 569231 NZPMIFHTJGGWLX-ZZXKWVIFSA-N 301.733 2.209 50 40 DEGB COC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cccc(Cl)c1 57508980 OSYAMKJHTOXHBU-LLVKDONJSA-N 315.156 2.360 50 40 DEGB Cc1cccc(C(=O)NC(=S)NNC(=O)c2cccs2)c1 2135460 GYECTUVSCMDLLN-UHFFFAOYSA-N 319.411 2.006 50 40 DEGB CC[C@]12OC(=O)C(=O)N1c1ccc(Cl)nc1S[C@@H]2Cl 2361842 CYEJWEDDSCLURF-WDEREUQCSA-N 319.169 2.402 50 40 DEGB COCCCNC(=O)/C(C#N)=C/c1ccc(Br)o1 408806474 DZHIVJAIYPXZHI-VQHVLOKHSA-N 313.151 2.102 50 40 DEGB NNC(=O)Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1 225315438 UMAARXIHAPLHBJ-UHFFFAOYSA-N 303.749 2.125 50 40 DEGB CCOC(=O)/C(=C(/C)Nc1ccc(F)cc1)[C@H]1CC(=O)OC1=O 95676477 FHZCADKNJGJBLH-OJLMPMFISA-N 321.304 2.164 50 40 DEGB O=C(CSCc1cccnc1)NNc1ccccc1[N+](=O)[O-] 53061346 RFZIUXOXLXNWES-UHFFFAOYSA-N 318.358 2.366 50 40 DEGB CC(C)(O)C(=O)NN(C(=O)c1ccc(F)cc1)c1ccccc1 273661 AVTYUQKYTOSZOQ-UHFFFAOYSA-N 316.332 2.275 50 40 DEGB N#CC1=C(N)Nc2nc(C(F)(F)F)nn2[C@@H]1c1ccccc1 8559534 MVVCETWROJVQOL-SECBINFHSA-N 306.251 2.006 50 40 DEGB CCN(CC)c1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 59426534 XHENJFVVTBYRDY-QGOAFFKASA-N 319.405 2.136 50 40 DEGB Cc1ccc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 50347 MUHBZXWIFFRFDF-LZYBPNLTSA-N 302.290 2.058 50 40 DEGB O=C(COc1ccccc1)NNC(=O)c1cc2ccccc2o1 133150 OMZJUDVQPZJMTD-UHFFFAOYSA-N 310.309 2.273 50 40 DEGB O=C(Cc1ccc(Br)cc1)NNC(=O)c1ccco1 8355300 NLEACZQQWVXYDR-UHFFFAOYSA-N 323.146 2.046 50 40 DEGB C/C(=N\NC(=O)C1CC1)c1cccc(NC(=O)C(F)(F)F)c1 17052322 PHQJTVYOGVBEFA-UFWORHAWSA-N 313.279 2.438 50 40 DEGB COC(=O)/C(C#N)=C1\CCC[C@H]1/C(SC)=C(/C#N)C(=O)OC 16189534 SZJFCBIOLUFPEJ-CJSARPTLSA-N 320.370 2.093 50 40 DEGB C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O 100034986 URLFHJOBBUULOA-CXUHLZMHSA-N 315.285 2.160 50 40 DEGB Cc1occc1C(=O)NNC(=O)N1CCc2sccc2C1 32795475 UZZJBEHCJRVPAR-UHFFFAOYSA-N 305.359 2.062 50 40 DEGB Cc1c(C(=O)Cl)cccc1N1C[C@H](C(=O)Cl)CC1=O 100680181 BSPGPCMALWDHQY-MRVPVSSYSA-N 300.141 2.492 50 40 DEGB NC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 105066993 KJEUHNAHILZJJM-RQZCQDPDSA-N 314.301 2.176 50 40 DEGB N#CC1=C(N)Oc2[nH]c(C(F)(F)F)nc2[C@@H]1c1cccnc1 6188146 CAPLUWBVUSZYAH-MRVPVSSYSA-N 307.235 2.042 50 40 DEGB CC(=O)N(NC(N)=O)[C@H](C)CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C 4599267 HBHUWTINICXQSH-MISXGVKJSA-N 309.410 2.004 50 40 DEGB C/C(=N\NC(=O)CNC(=O)c1cccs1)c1ccccc1 4805113 GLPHGDARGKRWHL-GZTJUZNOSA-N 301.371 2.018 50 40 DEGB O=C(CCc1ccccc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 408877372 VKXJDMRDZBXDOU-GZTJUZNOSA-N 313.313 2.383 50 40 DEGB O=C(NNC(=S)NCc1ccccc1)c1ccc(F)cc1 15873272 FLXPQVDESFOIOS-UHFFFAOYSA-N 303.362 2.135 50 40 DEGB C/C(CCc1ccccc1)=N/NC(=O)C(=O)NCc1ccccc1 4611351 VYYWUUHJCCEJHM-QNGOZBTKSA-N 323.396 2.428 50 40 DEGB O=C(Cl)c1ccc(CN2C[C@@H](C(=O)Cl)CC2=O)cc1 100680373 SNHVRZLBNAVYJL-JTQLQIEISA-N 300.141 2.180 50 40 DEGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc2c(c1)OCO2 8205421 NVFWYMQORUXYBR-AWNIVKPZSA-N 309.325 2.215 50 40 DEGB O=C(C[n+]1ccccc1)N/N=C/c1ccc(C(F)(F)F)cc1 2705256 QLHUUHHQDMWGFR-VXLYETTFSA-O 308.283 2.143 50 40 DEGB O=C(CCc1ccccc1O)NNC(=S)Nc1ccccc1 4622765 LPRMOTBIZWUYRH-UHFFFAOYSA-N 315.398 2.343 50 40 DEGB COc1ccc([C@@H]2CC(=O)NC(SC)=C2C#N)cc1OC 83361 AXLNVMNQWAPYRU-JTQLQIEISA-N 304.371 2.405 50 40 DEGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccccn1 566745 OFZDULWAGGVDQF-LZYBPNLTSA-N 320.146 2.314 50 40 DEGB CN(C)N[P@](=O)(c1ccccc1)c1nc2c(s1)CCCC2 101023712 VNAQFZRAKUBZFD-FQEVSTJZSA-N 321.386 2.317 50 40 DEGB COc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CC2)cc1 13111573 SFWIDQRQRQQCCD-XYOKQWHBSA-N 308.341 2.271 50 40 DEGB CCCCN1C(=O)/C(=N\NC(=O)c2cccnc2)c2ccccc21 5737868 BPECFDTWTDXFDI-SILNSSARSA-N 322.368 2.362 50 40 DEGB CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1O 409381507 UTNKGUPIBBROGL-YBFXNURJSA-N 319.405 2.163 50 40 DEGB O=C(CCl)NC[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79392616 HLJRZUFFBGWLDG-ZDUSSCGKSA-N 310.781 2.000 50 40 DEGB CCN(CC)c1ccc(/C=N/NC(=O)Cn2ccnc2C)cc1 553439 BSICNBWCFOIKEA-XDHOZWIPSA-N 313.405 2.188 50 40 DEGB Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)o1 504395 OCWYQDBFUWVCKT-HVOBPNNYSA-N 311.341 2.091 50 40 DEGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC 59334878 LCSPKMDXQXGTME-WJDWOHSUSA-N 324.380 2.431 50 40 DEGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)OCC)cc1 137950101 MTFRVVCKSVHGBE-UKTHLTGXSA-N 303.314 2.099 50 40 DEGB CCCCn1c(=O)c(C(=O)NCCCl)c(O)c2ccccc21 100498405 SIDOCVSEGULWJA-UHFFFAOYSA-N 322.792 2.476 50 40 DEGB Nc1ncnc(O[C@@H]2C=CC(Cl)=C[C@H]2Cl)c1[N+](=O)[O-] 26802710 QNDFVQOPPDCPKK-RNFRBKRXSA-N 303.105 2.014 50 40 DEGB Cn1/c(=N\NC(=O)c2cc(Cl)c[nH]2)sc2ccccc21 100777213 VZTBOVXKHUKDIM-GHRIWEEISA-N 306.778 2.467 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(OC)cc2OC)cc1 252661 AKPIAVQYRMUSMC-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB O=C(COc1ccccc1Cl)NNC(=O)c1ccccc1F 2726365 NOMXVHRWUWFXGA-UHFFFAOYSA-N 322.723 2.319 50 40 DEGB CC(C)CC[C@@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccco1 1798167 RXZMAFRMWFUFHL-VXGBXAGGSA-N 324.377 2.204 50 40 DEGB O=C(NNC(=O)c1ccc(-c2ccccc2)o1)c1ccccn1 4678885 DKFLCZDXLAJZKC-UHFFFAOYSA-N 307.309 2.416 50 40 DEGB O=C(CCCCCCCC(=O)NCCCl)NCCCl 4769571 LGZHXLSUCHPANV-UHFFFAOYSA-N 311.253 2.427 50 40 DEGB O=C(NNC(=O)N1CCc2sccc2C1)c1ccccc1 12553704 SYDJVKFUPBNDEX-UHFFFAOYSA-N 301.371 2.161 50 40 DEGB COc1cc2c(cc1/C=N/NC(=O)Cc1cccs1)OCO2 409206239 WKSBJSPMKDYINT-LZYBPNLTSA-N 318.354 2.178 50 40 DEGB O=[N+]([O-])c1ccc(NCCCBr)c2nonc12 263621904 YTWAYUJEIWMMJX-UHFFFAOYSA-N 301.100 2.328 50 40 DEGB COc1ccnc(NNC(=O)c2cc3ccc(C)cc3nc2C)n1 30886575 YSTSCNWGEPNIPF-UHFFFAOYSA-N 323.356 2.407 50 40 DEGB COc1ccc(CC(=O)NNC(=O)c2cc3ccccc3[nH]2)cc1 4680188 ISOKDLOBUXYRKP-UHFFFAOYSA-N 323.352 2.180 50 40 DEGB N#Cc1ccccc1/C=N/NC(=O)Cc1cccc([N+](=O)[O-])c1 89809513 OHETXNLJCHOPKZ-WOJGMQOQSA-N 308.297 2.159 50 40 DEGB CCc1n[nH]c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 5123859 JOCQPZVPHLJNPP-GFCCVEGCSA-N 311.301 2.098 50 40 DEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cc(Cl)ccc1O 16693862 RSAMLQHRGULQKZ-XFFZJAGNSA-N 317.732 2.180 50 40 DEGB CCOC(=O)NNC(=O)c1ccc(OCc2ccncc2)cc1 32809306 HGHLWEQGJMUIKA-UHFFFAOYSA-N 315.329 2.052 50 40 DEGB CCCC/C(C)=N\NC(=O)C(=O)Nc1ccc(OC)cc1OC 59515789 LAMJOPDUULPQLA-WQRHYEAKSA-N 321.377 2.325 50 40 DEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(O)c1 59101582 PHTSMXXQAOETCJ-WOJGMQOQSA-N 311.341 2.043 50 40 DEGB CC(C)CC(=O)NNS(=O)(=O)c1cccc(C(F)(F)F)c1 16100096 PCPSEZJOKRGJEX-UHFFFAOYSA-N 324.324 2.061 50 40 DEGB Cc1cc(C)cc(NC(=S)NNC(=O)c2cccnc2)c1 2784015 HRIOVTFPNAMFGW-UHFFFAOYSA-N 300.387 2.330 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1ccc(Cl)cc1 103073293 FMCLFEGRNWMWHZ-AHGNYBSDSA-N 304.733 2.222 50 40 DEGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1 20086737 DFKUJRVDCGEEGP-OAHLLOKOSA-N 307.353 2.220 50 40 DEGB COc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1O 408542940 LTPHLAFGTJKTAE-FARCUNLSSA-N 313.176 2.356 50 40 DEGB C#CCOc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1 107926888 BFWPCVNIELIDDM-PDGQHHTCSA-N 323.308 2.371 50 40 DEGB COc1ccc(C(=O)NNC(=O)c2cc(F)cc(F)c2)cc1 9253096 WMAHODPKTVWLOM-UHFFFAOYSA-N 306.268 2.048 50 40 DEGB CN1Nc2cc(C(=O)O)ccc2[C@@H]1I 253533283 MKDCOQWJQLJYET-MRVPVSSYSA-N 304.087 2.091 50 40 DEGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=O)o1 6206447 CWWGCRJWYCQRIX-GIJQJNRQSA-N 309.329 2.443 50 40 DEGB O=[N+]([O-])[C@@H](Br)[C@@H](c1ccccc1)N1CCOCC1 1675767 ILBXLZWSYARKRZ-VXGBXAGGSA-N 315.167 2.058 50 40 DEGB COc1ccc(Br)cc1/C=C(/C#N)C(=O)N(C)C 59334615 WCMGITXNZYSNHH-POHAHGRESA-N 309.163 2.453 50 40 DEGB COc1ccc(S[C@H](C)C(=O)NNc2ncccn2)cc1 44976602 VKPSIUNGKYZQSX-SNVBAGLBSA-N 304.375 2.109 50 40 DEGB CCOC(=O)NNC(=O)c1sc2nc(CC)nc(C)c2c1C 36664452 FUKAOFVOKOAGNP-UHFFFAOYSA-N 322.390 2.261 50 40 DEGB COc1ccccc1NC(=S)NNC(=O)c1ccc(O)cc1 13482173 LWQIGAPFPHBXGY-UHFFFAOYSA-N 317.370 2.032 50 40 DEGB O=C(Cc1csc(-c2ccc(F)cc2)n1)NNC(=O)C1CC1 9575751 GMGBSPBKKQBICV-UHFFFAOYSA-N 319.361 2.049 50 40 DEGB COc1cc(I)cc(/C=C/C=O)c1O 216764186 OGQRFLLNLUSXRJ-NSCUHMNNSA-N 304.083 2.218 50 40 DEGB Cc1ccc(OCCOc2cccc(/C=N/NC(N)=O)c2)cc1 3671439 AZIWSASBDYWJSO-XDHOZWIPSA-N 313.357 2.455 50 40 DEGB CC(=O)/C(C#N)=C1/NC(=O)[C@@H](Cc2ccc(C)c(C)c2)S1 13110739 WTLJJAYZTMBARP-UMWKZLPKSA-N 300.383 2.402 50 40 DEGB C/C(=N/NC(=O)c1ccccc1O)C1C(=O)c2ccccc2C1=O 100004539 GQLYDVMZCINUCC-GRSHGNNSSA-N 322.320 2.193 50 40 DEGB COC(=O)/C(C#N)=C\c1cc(Br)c(O)c(OC)c1 99985 XXWJAOMZVYOUKL-BAQGIRSFSA-N 312.119 2.243 50 40 DEGB O=C(Cc1ccccc1)NNC(=O)c1ccc(Br)o1 142149 YHKTUNHGTOXVDW-UHFFFAOYSA-N 323.146 2.046 50 40 DEGB Cc1[nH]nc(C(=O)N/N=C\c2cccs2)c1/N=N/N(C)C 104119215 CAFKHSJTNLEMNV-QIUFTIAFSA-N 305.367 2.104 50 40 DEGB CCc1ccc(OCC(=O)NN=C2CCN(CC)CC2)cc1 58444807 NSLCJSQXZCLOFP-UHFFFAOYSA-N 303.406 2.216 50 40 DEGB CCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(N(C)C)cc2)C1=O 16752922 LHRYMQABLJZLQC-GDNBJRDFSA-N 309.369 2.365 50 40 DEGB CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CCl 79392503 FFUBMRYZQSQPJA-LLVKDONJSA-N 304.818 2.473 50 40 DEGB CCOC(=O)NN(C(=O)OCC)[C@@H](C(C)=O)c1ccccc1 5830297 GJXKRUABOKQGPQ-ZDUSSCGKSA-N 308.334 2.436 50 40 DEGB CO[C@@H](C(=O)N/N=C/c1ccc(OCC#N)cc1)c1ccccc1 5511871 JRNPSZTXJPUJBW-UOBPLZBXSA-N 323.352 2.427 50 40 DEGB C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccco1 577776 PJKQDLSQOKSJHG-VIFPVBQESA-N 308.721 2.162 50 40 DEGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)ccc2O)c1 8810987 YJZRXVAMJMDENL-VCHYOVAHSA-N 314.341 2.482 50 40 DEGB CCOC(=O)/C(C#N)=C/Nc1[nH]nc2nc3c(cc12)CCCC3 8465134 OSMDAHMJRJCABF-PKNBQFBNSA-N 311.345 2.219 50 40 DEGB N#CC(C#N)=C(N)[C@]1(C#N)O[C@H]1c1cccc(Br)c1 66088278 LOFBBQITUVMILL-STQMWFEESA-N 315.130 2.043 50 40 DEGB N#C/C(=C\c1ccccc1)C(=O)Nc1cccc2c1C(=O)NC2=O 3315835 CALAYSSBWAFMLK-FMIVXFBMSA-N 317.304 2.116 50 40 DEGB O=C(O)COc1ccccc1/C=N/NC(=O)c1ccccc1F 3475331 FCCWACACNPIZCQ-GIJQJNRQSA-N 316.288 2.053 50 40 DEGB COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1OC 281961 FUNFPPLRNYWXHU-UHFFFAOYSA-N 314.341 2.087 50 40 DEGB COc1ccc(C(=O)NNC(=O)C2CCCCC2)cc1OC 281977 VDDPWWJGFLOVFK-UHFFFAOYSA-N 306.362 2.045 50 40 DEGB C/C(N)=C(/C#N)C(=O)COc1ccc(Br)cc1F 4938693 ZVGNGLNIBQBHTE-VQHVLOKHSA-N 313.126 2.292 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccccc2OC)c(OC)c1 33614185 DFAJLMTXGRCXAK-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB CCS(=O)(=O)[C@H](Br)[C@H](O)c1ccccc1F 96519112 MMZGVBHBDSLANM-ZJUUUORDSA-N 311.172 2.015 50 40 DEGB CC(C)NC(=O)CC(=O)N/N=C\c1cccc(Cl)c1Cl 4904666 QEGFGZZFWLHOBZ-APSNUPSMSA-N 316.188 2.358 50 40 DEGB CC(=O)Nc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2)cc1 23357106 WZOSAUMSWVMQGC-FMIVXFBMSA-N 323.352 2.119 50 40 DEGB O=C(NNC(=O)c1ccco1)NC12CC3CC(CC(C3)C1)C2 5945214 BYMZSROLQABXOY-UHFFFAOYSA-N 303.362 2.192 50 40 DEGB COCCOC(=O)/C(C#N)=C/c1cn(CC#N)c2ccccc12 33626764 WHOOPKOMJSXGBZ-JLHYYAGUSA-N 309.325 2.261 50 40 DEGB Cc1ccc(C)c(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c1 40177543 QVYVRBNIMIVODH-LBPRGKRZSA-N 315.822 2.062 50 40 DEGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1 255076071 UVTSHMQZMRSRPB-XNTDXEJSSA-N 302.374 2.391 50 40 DEGB O=C(N/N=C/c1cccc(F)c1)[C@H]1COc2ccccc2O1 3170367 NMYJUAAMPZTGKT-QANDDYDISA-N 300.289 2.116 50 40 DEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 7782403 CUUJMBWIXSYBER-LBBJYAOWSA-N 316.188 2.358 50 40 DEGB CCN1CCC2(CC1)C(C#N)=C(N)O[C@@H]2C(=O)c1ccccc1 549273 MWQXZQRCTPTWMV-MRXNPFEDSA-N 311.385 2.064 50 40 DEGB CCOc1ccccc1[C@H]1NC(=O)NC(CCl)=C1C(=O)OC 57509201 ZOXRYGXZICJDPM-CYBMUJFWSA-N 324.764 2.105 50 40 DEGB COCc1n[nH]c2c1[C@@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 5095372 WWTUABXDEWGUSY-CQSZACIVSA-N 321.340 2.256 50 40 DEGB COc1cc(/C=C/C(=O)NN)ccc1OCc1ccc(F)cc1 48545995 WFEVQRASCJUPIU-WEVVVXLNSA-N 316.332 2.416 50 40 DEGB N#CCn1cc(/C=N/NC(=O)c2cccnc2)c2ccccc21 6045772 QVQAPVPLWUZDSE-RGVLZGJSSA-N 303.325 2.324 50 40 DEGB O=C(N/N=C\c1cc(Br)cs1)c1cnccn1 5949415 GBUJOUZLJZUGDF-CPSFFCFKSA-N 311.164 2.065 50 40 DEGB COc1ccccc1/C=C/C(=O)NNC(=O)c1ccccc1C 516510 XURBQXJULHDQJN-VAWYXSNFSA-N 310.353 2.478 50 40 DEGB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCl)cc1 12504840 LJBLKENLIXLKSY-HNNXBMFYSA-N 310.825 2.499 50 40 DEGB in-vitro CCOCCOc1ccc(NC(=O)CBr)cc1 35605140 SESZUGGINYUMMG-UHFFFAOYSA-N 302.168 2.435 50 40 DEGB CC(C)(C)OC(=O)N1CCC(N2C[C@](C)(CCl)C2=O)CC1 1535644157 BDDDFYHWFDDHKE-HNNXBMFYSA-N 316.829 2.473 50 40 DEGB COC(=O)/C(C#N)=C1/[C@@H]2CC[C@H](C)[C@H]1C(=O)C(C#N)=C2SC 5529372 VTNUUNLCRFINGS-KWIWGCBHSA-N 316.382 2.365 50 40 DEGB COC(=O)CSC1=C(C#N)[C@H](c2ccc(C)s2)CC(=O)N1 278847 UTDCBEQMGWEZCL-SECBINFHSA-N 322.411 2.301 50 40 DEGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21 18266150 ZQGDJKYXHZJTEH-HNNXBMFYSA-N 323.352 2.300 50 40 DEGB COc1ccc(CC(=O)NN(C)c2ccccc2)cc1OC 4548370 ZLULCPVDDKEHFG-UHFFFAOYSA-N 300.358 2.414 50 40 DEGB O=C(NC1CCN(C(=O)CCl)CC1)OCc1ccccc1 79411758 WGKLRGGJFKIRTL-UHFFFAOYSA-N 310.781 2.143 50 40 DEGB Cc1cccc(OCC(=O)NNC(=O)c2sccc2C)c1 5272781 DMCPJDUTCPFEKA-UHFFFAOYSA-N 304.371 2.205 50 40 DEGB C[C@H](Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1)C(=O)O 567467 IMXVSAUGWFGBLC-HWQJWEFDSA-N 312.325 2.302 50 40 DEGB C/C(=N\NC(N)=O)c1cccc(OCc2cn3ccccc3n2)c1 43906955 RFIZYBOKNKNHKM-UDWIEESQSA-N 323.356 2.306 50 40 DEGB CCOC(=O)NNC(=O)c1cc2c(C)nn(CC(C)C)c2s1 58246698 MZUUJSAKFYQDLD-UHFFFAOYSA-N 324.406 2.453 50 40 DEGB O=C(Cc1cccc2ccccc12)NNC(=O)c1ccccn1 8735237 YMLJSXKDCNGIDL-UHFFFAOYSA-N 305.337 2.239 50 40 DEGB Cc1cc(C)nc(SC/C(=N/NC(N)=O)c2ccccc2)n1 4795726 CIBZLLBVYXADCM-UYRXBGFRSA-N 315.402 2.258 50 40 DEGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(O)cc1O 36622912 IDBQJRZVTCOJKX-VXLYETTFSA-N 309.325 2.272 50 40 DEGB CCN(CC)C1=NC(N)=C(C#N)[C@@]1(C#N)[C@@]1(C)CCCCC1=O 78549828 FBQQSXMUTVCDRG-DLBZAZTESA-N 313.405 2.094 50 40 DEGB CN(C(=O)CCl)C1CCN(C(=O)OCc2ccccc2)CC1 79392647 FDKKURTWGWLGMB-UHFFFAOYSA-N 324.808 2.485 50 40 DEGB CCCn1nc(C)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253408579 YFWYIIOUURQQDU-HNNXBMFYSA-N 312.373 2.416 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1 1741088 DPMWKLVBQUNDGA-WOJGMQOQSA-N 311.341 2.418 50 40 DEGB Cc1ccc(N(C(=O)CCl)[C@H]2C=CS(=O)(=O)C2)cc1C 5546850 KDTKMKXJFKHEQD-ZDUSSCGKSA-N 313.806 2.186 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2ccco2)c([N+](=O)[O-])c1 58681 SYXUMDULHNZNQP-OVCLIPMQSA-N 303.274 2.025 50 40 DEGB CCn1c(CCl)nc2cc(S(=O)(=O)N(C)C)ccc21 3278459 YTQZYSJHXBQQGI-UHFFFAOYSA-N 301.799 2.045 50 40 DEGB COc1ccc(CCC(=O)NNC(=O)c2ccc(F)cc2)cc1 3410378 ONBMPKKGXUPGQP-UHFFFAOYSA-N 316.332 2.228 50 40 DEGB CC(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 409012675 RGWGFHGTGOGEKT-WOJGMQOQSA-N 311.341 2.174 50 40 DEGB O=C(NN=Cc1ccccc1C(=O)O)c1ccc2nc[nH]c2c1 245241353 BKRRBSABIOHPGD-UHFFFAOYSA-N 308.297 2.025 50 40 DEGB COc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 585384 FIZBTCIFHZDNGZ-OQLLNIDSSA-N 319.342 2.358 50 40 DEGB C[C@@H]1CCCC/C1=N/NC(=O)C(=O)N/N=C1/CCCC[C@H]1C 30951380 WVRUHNLWNOOWEC-UJAIGFOJSA-N 306.410 2.351 50 40 DEGB O=C(COc1ccccc1)NNC(=O)c1ccc(Cl)cc1 568866 YZXFAJRWZKJAQA-UHFFFAOYSA-N 304.733 2.180 50 40 DEGB CCN1CCC2(CC1)C(C#N)=C(N)O[C@H]2C(=O)c1ccccc1 4909159 MWQXZQRCTPTWMV-INIZCTEOSA-N 311.385 2.064 50 40 DEGB CC1(CC(=O)N/N=C/c2ccc(O)cc2O)SCCS1 409363984 MTHTUBYIZYYKIY-RIYZIHGNSA-N 312.416 2.134 50 40 DEGB CCOc1cc2c(cc1/C=N/NC(=O)c1ccco1)OCO2 409103916 XKJGWGYWPOWXTM-LZYBPNLTSA-N 302.286 2.171 50 40 DEGB O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1ccncc1 32311604 IYSIMEPEZAUNGX-IDUWFGFVSA-N 303.705 2.228 50 40 DEGB CCOc1ccc(C(=O)NN)cc1COCc1ccccc1 224743859 PSGLOTIXVIPHEO-UHFFFAOYSA-N 300.358 2.406 50 40 DEGB COc1cc(/C=N/NC(=O)c2c(C)nc3ccccn23)ccc1O 7041479 WTPVYSOTWPSFCO-VCHYOVAHSA-N 324.340 2.121 50 40 DEGB Cc1nc2ccccc2nc1COc1cccc(C(=O)NN)c1 16265447 ZPEZNEHETZHGSP-UHFFFAOYSA-N 308.341 2.121 50 40 DEGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(C#N)cc2)c1 6685726 RYCQAEYKTFLTAN-YBFXNURJSA-N 309.325 2.339 50 40 DEGB O=C(CCl)Nc1cnn(-c2cnn(-c3ccccc3)c2)c1 20530679 GYMADSRTIGKXFH-UHFFFAOYSA-N 301.737 2.235 50 40 DEGB O=C(CCl)N(c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 40177552 NULQMRZRRJNBOF-SECBINFHSA-N 322.213 2.099 50 40 DEGB Cc1ccccc1/C=N/NC(=O)c1nn(C)cc1Br 132193 DCBJYHDNAUXVGV-VIZOYTHASA-N 321.178 2.255 50 40 DEGB CC[C@@]1(O)C[C@]2(CCCC[C@@H]2I)OC1=O 6371549 JHYROJOLJZMOJT-GDPRMGEGSA-N 324.158 2.191 50 40 DEGB O=C(/C=C/c1cccc2cccnc12)NNC(=O)c1cccnc1 55350652 URSBJNZIWFFSHV-CMDGGOBGSA-N 318.336 2.104 50 40 DEGB C/C(=N\NC(=O)c1cccnc1)c1cc2ccccc2oc1=O 19720124 CCLWVJZQQXVZBL-YBFXNURJSA-N 307.309 2.342 50 40 DEGB O=C(NNC(=O)c1cccc(O)c1)c1ccc(C(F)(F)F)cc1 9313688 ZFZQEBWTSANZTP-UHFFFAOYSA-N 324.258 2.486 50 40 DEGB CN1CCN(c2ccc(NC(=O)C(Cl)Cl)cc2)CC1 3116709 FYSMFLOZCBANFR-UHFFFAOYSA-N 302.205 2.181 50 40 DEGB COC(=O)c1cc(NNC(=O)c2oc(C)nc2C)ccc1C 521394302 IIMVLJMMMZRHFL-UHFFFAOYSA-N 303.318 2.143 50 40 DEGB CCS(=O)(=O)[C@H](Br)[C@H](O)c1cccc(F)c1 96519116 RGWATXYYNOYVGL-ZJUUUORDSA-N 311.172 2.015 50 40 DEGB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@H](Br)C1 28294349 XYMYPACQKWIRPX-QMMMGPOBSA-N 324.627 2.498 50 40 DEGB CN(C)C(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 2348194 KBMARDPLVZNCNA-OXHMUOHRSA-N 302.212 2.234 50 40 DEGB O=C(NNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 485154 PALTXSPNECTTQQ-UHFFFAOYSA-N 319.704 2.323 50 40 DEGB CCOc1ccc(/C=N/NC(=O)COc2ccc(C#N)cc2)cc1 3266722 FSFIGKGXHFMVOS-UDWIEESQSA-N 323.352 2.486 50 40 DEGB COC(=O)c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1 215555007 ZPRIMEHVEZHPPH-ODLFYWEKSA-N 314.316 2.305 50 40 DEGB Cn1nc(C(=O)NN(c2ccccc2)c2ccccc2)ccc1=O 45165810 NMUXPEYLGHBHMH-UHFFFAOYSA-N 320.352 2.263 50 40 DEGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccncc1 3024082 BQXALLRCVJDLKR-LZYBPNLTSA-N 320.146 2.314 50 40 DEGB Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)s1 20086832 YHRYLATWYPEWRH-ZDUSSCGKSA-N 313.382 2.282 50 40 DEGB O=C(CCN1CCN(c2ccccc2)CC1)NN=C1CCCC1 6369203 GMPUJBBGQIYNGX-UHFFFAOYSA-N 314.433 2.245 50 40 DEGB COc1ccc(C(=O)N/N=C\c2ccc(NC(C)=O)cc2)cc1 31723735 DPMWKLVBQUNDGA-WQRHYEAKSA-N 311.341 2.418 50 40 DEGB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)CBr 72207505 JRAVFCZTEOIVDO-LLVKDONJSA-N 311.179 2.011 50 40 DEGB CCOC(=O)c1ccc([Si](OCC)(OCC)OCC)cc1 195899090 IYBIDUBBUBVKMU-UHFFFAOYSA-N 312.438 2.119 50 40 DEGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N\NC(=O)c1ccccc1 100150023 RNRWNAPKLAJQPS-BKAYVGFPSA-N 320.352 2.441 50 40 DEGB CCc1cc2cccc(C)c2nc1SCC(=O)NNC(C)=O 416756 VLCLYGCAUPIRHT-UHFFFAOYSA-N 317.414 2.365 50 40 DEGB O=C1OC(=O)[C@H]2[C@H]1[C@@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 100494300 FJDLXLHNYCLTEA-KYUMBNEZSA-N 301.940 2.364 50 40 DEGB Cc1ccccc1NCC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1 32142864 XROAXEAPISYVNJ-ZDLGFXPLSA-N 312.329 2.465 50 40 DEGB COc1cccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)c1 18211928 NOYXHRKOAVYAEX-WOJGMQOQSA-N 323.356 2.188 50 40 DEGB CCOC(=O)c1cc(C(=O)N/N=C/c2ccco2)c(C)nc1C 577490 HFKRQUPEJFDDLU-RQZCQDPDSA-N 315.329 2.232 50 40 DEGB CCOC(=O)c1csc(NNC(=O)c2ccc(C)cc2)n1 1415076 IAFHFWACGDKOPH-UHFFFAOYSA-N 305.359 2.385 50 40 DEGB IC[C@H]1COc2cccc3ccc[n+]1c23 4600603 ATINFHCPYICAKY-JTQLQIEISA-N 312.130 2.496 50 40 DEGB C[C@@H]1CN(c2ccc(CNC(=O)CCl)cc2F)C[C@@H](C)O1 82167772 JLJZYFJUQMMLCQ-GHMZBOCLSA-N 314.788 2.294 50 40 DEGB in-vitro CCCCCCCSc1ncnc2c1ncn2C(=O)NN 1562115 HCHALWIIXZOOGK-UHFFFAOYSA-N 308.411 2.320 50 40 DEGB N#C/C(=C\Nc1ccccc1N)c1nc2ccccc2[nH]c1=O 100424619 OGYVELXENMIZSV-ZHACJKMWSA-N 303.325 2.482 50 40 DEGB COc1ccc(/C=N/NC(=O)c2cccs2)cc1[N+](=O)[O-] 4132753 RYJGKLKPTCPTJP-RIYZIHGNSA-N 305.315 2.429 50 40 DEGB N#CC1=C(N)n2ncnc2N[C@H]1c1c(Cl)cccc1Cl 18199179 USSCIOVABHVVNO-SNVBAGLBSA-N 307.144 2.403 50 40 DEGB O=C(NNc1ccccn1)Nc1nnc(-c2ccccn2)s1 67474821 BWWIHFGWXIUQSX-UHFFFAOYSA-N 313.346 2.144 50 40 DEGB COC(=O)c1cc(-c2ccc(/C=C/C(=O)NN)o2)ccc1Cl 216910083 JMWYQPVEBMXNIX-QPJJXVBHSA-N 320.732 2.390 50 40 DEGB CCCCCCCC(=O)NNC(=S)NC[C@@H]1CCCO1 97941794 ORGHBAZRQDILIU-LBPRGKRZSA-N 301.456 2.021 50 40 DEGB CCOC(=O)/C=C1\CCCCCN1C(=O)CBr 96528478 PXXLSDPEAGMFRJ-CSKARUKUSA-N 304.184 2.231 50 40 DEGB O=C(CC1(O)CCCCC1)N/N=C/c1ccc([N+](=O)[O-])cc1 354590 CIXZVKURRZMNLY-LFIBNONCSA-N 305.334 2.130 50 40 DEGB CC[C@H](C)N(NC(C)=O)c1nc(Cl)nc(NC(C)(C)C)n1 27647 IRFSLIGJLXYMNT-QMMMGPOBSA-N 314.821 2.391 50 40 DEGB COCc1noc2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)N2 204876 XVKFKFRWXDAOOA-GFCCVEGCSA-N 300.293 2.211 50 40 DEGB CN(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccccn2)cc1 6568732 BWZONACIEVEVQU-PTNGSMBKSA-N 306.369 2.371 50 40 DEGB CO[C@@H](C(=O)N/N=C/c1ccc(N(C)C)o1)c1ccccc1 408996119 KZRCLEVHBMTWLU-QAEAHILHSA-N 301.346 2.183 50 40 DEGB NC(=O)NN[C@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 408734370 OUGUTVWVHGFAPQ-ZDUSSCGKSA-N 318.764 2.193 50 40 DEGB CCc1ccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1 40177599 XXZUANJQYJQSHH-ZDUSSCGKSA-N 315.822 2.008 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)o1 561595 JHIMHWNRPLWZFQ-GIJQJNRQSA-N 300.293 2.120 50 40 DEGB CC(=O)Nc1ccc(OCC(=O)N/N=C\c2ccccc2)cc1 32023120 GRYNJPBEMWVVAK-WQRHYEAKSA-N 311.341 2.174 50 40 DEGB CCC(CC)=NNC(=O)Cc1nc2sc(C)c(C)c2c(=O)[nH]1 20986901 OEYPKZUSWIVSKL-UHFFFAOYSA-N 320.418 2.436 50 40 DEGB N#C/C(=C/c1ccccc1)C(=O)Nc1cccc2c1C(=O)NC2=O 3315836 CALAYSSBWAFMLK-XFXZXTDPSA-N 317.304 2.116 50 40 DEGB Cc1ccc(OCC(=O)n2cc(C(=O)NN)c3ccccc32)cc1 216723340 JWTXQAYZSDEVBK-UHFFFAOYSA-N 323.352 2.272 50 40 DEGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 3474800 YUPVYMBCRALQEH-LZYBPNLTSA-N 313.269 2.087 50 40 DEGB O=C(CBr)Nc1ccccc1C(=O)N1CCCC1 35604975 DKBOUIDSQYZNEI-UHFFFAOYSA-N 311.179 2.256 50 40 DEGB COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)NC(C)C 408766343 CDUZHDVJHORMLW-WZUFQYTHSA-N 319.317 2.044 50 40 DEGB COC(=O)c1cccc(/C=C(\C#N)C(=O)NCc2cccnc2)c1 408971356 ISVUBOQIQVIREH-CXUHLZMHSA-N 321.336 2.092 50 40 DEGB CC(C)(Oc1ccc(Br)cc1Cl)C(=O)NN 216909735 HLYGSROHZVJBNT-UHFFFAOYSA-N 307.575 2.250 50 40 DEGB C/C(=N/NC(=O)C(=O)Nc1cccc(F)c1)c1ccc(F)cc1 6317004 CFSCWWXIHXUWOE-JMIUGGIZSA-N 317.295 2.444 50 40 DEGB O=C(NCc1ccco1)C(=O)N/N=C/c1cccc2ccccc12 7783519 OZXWCLNZQAXQMI-RGVLZGJSSA-N 321.336 2.199 50 40 DEGB NC(=O)N/N=C\C(Cc1ccccc1)=N/OCc1ccccc1 104248889 OXOCSFROJHOSIF-DIZYCBPQSA-N 310.357 2.456 50 40 DEGB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)NN)c12 4294063 KMJPPVYOZCMIPU-UHFFFAOYSA-N 307.357 2.210 50 40 DEGB CC(C)(C)OC(=O)N/N=C1\C(O)=Nc2cc3c(cc21)OCCO3 7947335 WVPQTEFCUPJGIR-UHFFFAOYSA-N 319.317 2.288 50 40 DEGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1C 408784143 SKCCEOJSSJERJC-CXUHLZMHSA-N 300.318 2.314 50 40 DEGB N#CCOc1ccccc1/C=N/NC(=O)c1ccc2c(c1)OCO2 44393749 DIIZSFFRCIOFFH-VXLYETTFSA-N 323.308 2.082 50 40 DEGB CCS(=O)(=O)[C@H](Br)[C@H](O)c1cccc(C)c1 96519128 ZWZDRFOYBWEBQB-MNOVXSKESA-N 307.209 2.184 50 40 DEGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3)CC2=O)cc1 48450 UOBYYWOOKWUIKB-DORSJAEJSA-N 321.380 2.498 50 40 DEGB C#CCOc1cccc(/C=N/NC(=O)c2ccc(OC)cc2O)c1 409392298 OUUSAJBEDGOIKC-XDHOZWIPSA-N 324.336 2.177 50 40 DEGB COC(=O)/C(C#N)=C/c1ccc(OC(=O)C(C)C)c(OC)c1 144522 GLHGGZRFNUGICF-KPKJPENVSA-N 303.314 2.337 50 40 DEGB CN(C)C(=O)c1ccc(SSCCCC(=O)O)nc1 225940781 BLJGVBXSYKCBFC-UHFFFAOYSA-N 300.405 2.389 50 40 DEGB CCOC(=O)[C@@H](CC)/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 4591447 SAABJYNYSFWSLM-RKPNYOAGSA-N 321.333 2.290 50 40 DEGB Cc1c(C(=O)NN=Cc2ccc(F)cc2)sc(N)c1C#N 408729579 GZSPBUMVYXALTK-UHFFFAOYSA-N 302.334 2.413 50 40 DEGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(N)=O)o2)c1 33750239 JYBZKZGKOFPCGF-RQZCQDPDSA-N 301.302 2.126 50 40 DEGB CC(=O)NN/C(S)=N/C=C(/C#N)c1nc2ccccc2s1 5855389 DFXLNIBJTYMDMB-CLFYSBASSA-N 317.399 2.087 50 40 DEGB CCc1ccc2c(c1)/C(=N\NC(=O)c1ccccc1O)C(=O)N2 8446063 SKFQEHDIBDXHAI-UHFFFAOYSA-N 309.325 2.041 50 40 DEGB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2[C@@H](C)C(=O)NN 223826046 XXXSXRCJUBRLSO-LBPRGKRZSA-N 303.406 2.466 50 40 DEGB COC(=O)N/N=C/c1ccc(-c2ccc(C(=O)OC)cc2)o1 199150 NLZXWJXWRCPWMK-CXUHLZMHSA-N 302.286 2.423 50 40 DEGB Cc1cc2c(c(=O)o1)[C@H](c1cccc(F)c1F)C(C#N)=C(N)O2 377139 UWEABYAGFQFZFW-GFCCVEGCSA-N 316.263 2.445 50 40 DEGB Cc1cc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cs1 6527831 YNXYZIQZCNXHFF-UMNHJUIQSA-N 309.460 2.354 50 40 DEGB CC(=O)N(NC(N)=O)[C@H](C)CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C 4599266 HBHUWTINICXQSH-WDMOLILDSA-N 309.410 2.004 50 40 DEGB Cc1ccc(OCCC(=O)NNC(=O)c2ccccc2F)cc1 6652368 DEGZNFHQVMRSHE-UHFFFAOYSA-N 316.332 2.364 50 40 DEGB COc1ccccc1C(=O)N/N=C/c1ccc2nccnc2c1 32608379 CIELIBRXWBOPJE-RGVLZGJSSA-N 306.325 2.402 50 40 DEGB Cc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3NN=C(C(F)(F)F)[C@@H]32)cc1 227225499 PUVDOYDENXOXGD-UHIISALHSA-N 322.290 2.267 50 40 DEGB N#Cc1ccccc1OCC(=O)NNC(=O)CCC1CCCC1 3523948 MHKWUTGSSCPYIF-UHFFFAOYSA-N 315.373 2.055 50 40 DEGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1cccnc1 200492 PBEGTCMPGJIKTI-UHFFFAOYSA-N 321.336 2.075 50 40 DEGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1 566323 PFHLYQPEKIICLI-LZYBPNLTSA-N 317.301 2.334 50 40 DEGB N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NC[C@H]1CCCO1 517068 RWCQMHSBUWKHTC-HTRKUNOGSA-N 310.353 2.208 50 40 DEGB COc1cc(C)c(/C=N\NC(=O)c2cccc(O)c2)cc1OC 107846400 GSWUPUITYSNQRT-ZDLGFXPLSA-N 314.341 2.482 50 40 DEGB Cc1cc(C(=O)NN=C2CCN(C(C)C)CC2)ccc1[N+](=O)[O-] 55074038 HEYCIJMJCDWSFN-UHFFFAOYSA-N 318.377 2.493 50 40 DEGB Cc1ccc(C(=O)NNC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)s1 102242159 ZCYXXKXKBFDQPI-MXWKQRLJSA-N 309.460 2.354 50 40 DEGB O=C(NNC(=O)c1ccc(-c2ccccc2)o1)c1cccnc1 4551442 KNNWRCASTMRUMR-UHFFFAOYSA-N 307.309 2.416 50 40 DEGB CC(C)S(=O)(=O)c1ccc(C(=O)CBr)cc1 40443174 YXVMDLVFQILJSD-UHFFFAOYSA-N 305.193 2.446 50 40 DEGB CCN(CC)C1=NC(N)=C(C#N)[C@]1(C#N)[C@]1(C)CCCCC1=O 78549825 FBQQSXMUTVCDRG-SJORKVTESA-N 313.405 2.094 50 40 DEGB Cc1cc(N)nc(NNC(=O)c2ccc(Cl)cc2Cl)n1 75156689 DEJUOEIMNXHTFS-UHFFFAOYSA-N 312.160 2.431 50 40 DEGB CN1Nc2cc(C(=O)O)ccc2[C@H]1I 253533284 MKDCOQWJQLJYET-QMMMGPOBSA-N 304.087 2.091 50 40 DEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)c(C)c1 3072683 MLJKIAZIRZYUCA-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB N#C/C(=C/NC(=S)C(N)=S)c1nc2ccccc2s1 104305065 ZBKOFYCNNKWNBU-SREVYHEPSA-N 304.425 2.364 50 40 DEGB CCOc1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1 5065928 PPXCBKGBTZXBPX-UHFFFAOYSA-N 312.369 2.479 50 40 DEGB CS(=O)(=O)[C@H](Cl)[C@H](O)c1ccc(Br)cc1 96518832 UWDOYVSHXIGGEP-BDAKNGLRSA-N 313.600 2.092 50 40 DEGB O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 5002718 IHASHSFBDLQDLH-DHDCSXOGSA-N 314.257 2.267 50 40 DEGB COc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1OC 8163868 BVHREAZAACHVJV-RVZJCZPVSA-N 323.352 2.461 50 40 DEGB COc1cccc(N2C[C@@H](NC(=O)C(C)(C)CCl)CC2=O)c1 5194706 BQAKVPZADOZJHZ-NSHDSACASA-N 324.808 2.182 50 40 DEGB COCc1n[nH]c2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 5075333 CIVLJWDUSPNRGV-GFCCVEGCSA-N 318.283 2.052 50 40 DEGB CC1CCN(c2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(N)=O)CC1 409274141 MXSAZSBWPDXNRO-MDWZMJQESA-N 314.345 2.223 50 40 DEGB C[C@H](C(=O)O)[C@H]1NC(=O)[C@H]1[C@H](C)O[Si](C)(C)C(C)(C)C 204728606 NNANGMFTFSNDLW-XWLWVQCSSA-N 301.459 2.232 50 40 DEGB O=C(CBr)NCC1(c2ccccc2)CCOCC1 545740 UUONAEMFUGUOON-UHFFFAOYSA-N 312.207 2.246 50 40 DEGB O=C(NC1=NN(c2ccccc2)C(=O)[C@H]1Cl)c1ccccc1 102071256 UVZPWPLJINEMLN-ZDUSSCGKSA-N 313.744 2.384 50 40 DEGB C/C(=N\NC(=O)CN1CCCc2ccccc21)c1ccncc1 5694616 TVRVFHOQHMBFPE-XSFVSMFZSA-N 308.385 2.375 50 40 DEGB C/C(=N/NC(=O)CCn1nnc2ccccc21)c1cccc(O)c1 181644 DJKMYZKTKJCCSS-PDGQHHTCSA-N 323.356 2.067 50 40 DEGB C/C(=N/NC(=O)[C@H]1COc2ccccc2O1)c1cccs1 192768 VPLHPUAPWNLBBF-YDRQLGOLSA-N 302.355 2.428 50 40 DEGB COCCCNC(=O)/C(C#N)=C/c1ccc2c(c1)O[C@@H](C)C2 8915279 QVMYZDFAQGCKGB-DGGAMASNSA-N 300.358 2.070 50 40 DEGB CC(C)n1ccc(CC(=O)NNC(=O)c2cccc(Cl)c2)n1 72302682 WNRUEVWQOTYFEQ-UHFFFAOYSA-N 320.780 2.121 50 40 DEGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(O)cc1O 59185 DTSSBOCCASRQFN-GIJQJNRQSA-N 314.341 2.244 50 40 DEGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cccs1 59463272 STNRTQPWMKPKOR-FRKPEAEDSA-N 303.343 2.039 50 40 DEGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1cccnc1 36290041 ODDWJLSMPXFOFJ-XDHOZWIPSA-N 315.402 2.121 50 40 DEGB Cn1cc(C(=O)NNc2ccccc2C(F)(F)F)ccc1=O 68027782 CMXQWNNMCURNRD-UHFFFAOYSA-N 311.263 2.161 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C\c1cccc([N+](=O)[O-])c1 36223920 MUWGOMDPEXBDMK-YVLHZVERSA-N 301.277 2.427 50 40 DEGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 252129 WBGLQSRMKZABOO-GIJQJNRQSA-N 316.292 2.296 50 40 DEGB CC(C)=NO[C@]1(c2ccccc2)OC(N)=C(C#N)C1=C(C#N)C#N 100242197 BKFOVYQWUMIQFI-KRWDZBQOSA-N 319.324 2.320 50 40 DEGB O=C(COc1cccc2ccccc12)NNC(=O)c1ccncc1 569241 SNLLXPYMBXJHNU-UHFFFAOYSA-N 321.336 2.075 50 40 DEGB COc1ccc(/N=N\N2C=C([N+](=O)[O-])C=NC2=C(C#N)C#N)cc1 103550472 VZHLHSMXKBRZLE-HNENSFHCSA-N 323.272 2.457 50 40 DEGB C[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccncc3)cc2C1 5423569 LWGCJPNGMCFHAG-SNVBAGLBSA-N 315.398 2.343 50 40 DEGB N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(N)=O 408842434 OXTBJBBBNVGJEB-OQLLNIDSSA-N 322.320 2.356 50 40 DEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 408971434 OKVMKKKSDZVSRO-XUNMKLQISA-N 316.188 2.358 50 40 DEGB C[C@@H](C(=O)N/N=C/c1ccc(F)s1)n1cc(Cl)cn1 252487209 HSTCQPIZRMOFFS-ZKHZFVRRSA-N 300.746 2.448 50 40 DEGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(OC)c1O 324771 HFLKJCPPCLVDAA-LICLKQGHSA-N 300.314 2.173 50 40 DEGB Cn1/c(=N\NC(=O)c2cc(C3CC3)on2)sc2ccccc21 102399475 LSEPWPOORMTIOK-BMRADRMJSA-N 314.370 2.351 50 40 DEGB CCN1CCN(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)CC1 58167193 RFAVDTCQOWBMBP-SEYXRHQNSA-N 318.808 2.323 50 40 DEGB O=S(=O)(c1ccccc1)[C@H]1[C@@H]2C[C@H]3[C@@H]([C@@H]2Br)[C@@H]31 104253585 ZNVZGURQOQNGRK-TXWLSFLZSA-N 313.216 2.488 50 40 DEGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cc1csc(N)n1 350406 MDGAFHKDAUBHEQ-REZTVBANSA-N 313.386 2.208 50 40 DEGB COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccccc2)c1O 4784706 DVAWBSZOQPFSRR-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB COc1cccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c1O 409206809 LOBGOGWTUPWAMF-YRIIZNAFSA-N 309.325 2.158 50 40 DEGB O=C(CN1Cc2ccccc2C1)N/N=C/c1ccccc1[N+](=O)[O-] 409222467 CYFAYSNHLNVTQP-GIJQJNRQSA-N 324.340 2.061 50 40 DEGB N#CC1=C(N)[C@@](C#N)(c2cccnc2)[C@@H](C#N)[C@@H]2CCCC=C12 36042385 FTMSZMYDZCTLFS-HFTRVMKXSA-N 301.353 2.459 50 40 DEGB O=C(CN1C(=O)CCC1=O)NN(c1ccccc1)c1ccccc1 2647699 BPRNMJQEUIPIGY-UHFFFAOYSA-N 323.352 2.005 50 40 DEGB O=C(CCl)NC1CCN(C(=O)OCc2ccccc2)CC1 79392621 XHXBFSOQGDWEHY-UHFFFAOYSA-N 310.781 2.143 50 40 DEGB CC1CCN(c2c(Cl)cc(C(=O)NN)cc2[N+](=O)[O-])CC1 226242437 APQRFUCRQJEQNI-UHFFFAOYSA-N 312.757 2.088 50 40 DEGB CCn1ncc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)c1F 252498400 RBDCNFNOIBRFRX-SBQONWBNSA-N 300.337 2.296 50 40 DEGB COC(=O)/C(C#N)=C/c1cc(OC)c(O)cc1Br 1575168 WUKGKZCLOUMLOA-FPYGCLRLSA-N 312.119 2.243 50 40 DEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(F)c1 333621 KNGQITZFISSVAG-CQSZACIVSA-N 302.305 2.470 50 40 DEGB COc1cccc(NC(=O)C(=O)NN=C2CCCCCC2)c1 59515839 DZNJLSUBEYMDEF-UHFFFAOYSA-N 303.362 2.460 50 40 DEGB C/C(=N\NC(=O)c1ccccc1N)c1ccc2c(c1)OCCO2 408588195 IGQHVDUQKSHYHX-YBFXNURJSA-N 311.341 2.194 50 40 DEGB COc1cccc(C(=O)/C=C(\C)NNC(=O)c2cccnc2)c1 408722716 FBYQMVQSLMZQER-FMIVXFBMSA-N 311.341 2.111 50 40 DEGB COc1ccc(OCC(=O)N/N=C\c2cc(C)n(C)c2C)cc1 408785821 ZQXCOTOVOPZLHX-ZDLGFXPLSA-N 315.373 2.180 50 40 DEGB O=C(CNc1ccccc1F)N/N=C/c1cccc([N+](=O)[O-])c1 3225773 NVTGXNCONBQXSH-GIJQJNRQSA-N 316.292 2.296 50 40 DEGB Cc1cccc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 4746695 PZWKAJOANODMKH-VCHYOVAHSA-N 312.329 2.465 50 40 DEGB CCc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1 216950486 JWDUJQYWNYYXIV-UHFFFAOYSA-N 307.353 2.496 50 40 DEGB NNC(=O)c1cnc(-c2ccccc2)nc1Nc1ccccc1 223462455 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50 40 DEGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)NC(N)=O 6510216 QRFQXEVEPURGOM-XNTDXEJSSA-N 321.336 2.367 50 40 DEGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC(N)=O 409243206 QKRHKPSWEOOPAC-GDNBJRDFSA-N 321.336 2.367 50 40 DEGB N#C[C@@H](C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1 409198045 VRJJQMLPCDBCEI-HVOBPNNYSA-N 324.296 2.058 50 40 DEGB C/C(=N/NC(=O)c1ccncc1)c1cc2ccccc2oc1=O 13110499 UQNZJQUFLKWHHH-ODLFYWEKSA-N 307.309 2.342 50 40 DEGB O=C(CCl)N1CCCN(C(=O)OCc2ccccc2)CC1 79419934 RAVUCSMKZWTECV-UHFFFAOYSA-N 310.781 2.096 50 40 DEGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccco1 102090836 WJNJJYKNBMNODL-CYBMUJFWSA-N 318.288 2.421 50 40 DEGB Cc1occc1C(=O)NNC(=O)NCCCOc1ccccc1 29730078 VUTNSPYLFYPXPG-UHFFFAOYSA-N 317.345 2.001 50 40 DEGB C/C(=N\NC(=O)CSc1nnc(C)s1)c1ccc(O)cc1 540191 RSRZKLWMMGCHDG-RIYZIHGNSA-N 322.415 2.185 50 40 DEGB CCc1ccc(N2C[C@H](C(=O)NCCCCl)CC2=O)cc1 4976583 QKNXZMGLMFYQFZ-CYBMUJFWSA-N 308.809 2.347 50 40 DEGB CC(/C=N/NC(=O)c1ccccc1)=N\NC(=O)c1ccccc1 100548629 AFGAFNSJBJTVNH-KLCVKJMQSA-N 308.341 2.208 50 40 DEGB CC1(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)SCCS1 6348151 LJLGDLFHPXNDJD-KPKJPENVSA-N 315.376 2.224 50 40 DEGB CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1CC(C)C 4784508 ACLLCHYLCMXCEE-LLVKDONJSA-N 307.419 2.069 50 40 DEGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1ccccn1 409022047 IIAGKMWKQNQTBG-XDHOZWIPSA-N 306.325 2.342 50 40 DEGB CCOC(=O)[C@H](CC)/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 4591448 SAABJYNYSFWSLM-BVTUPMQUSA-N 321.333 2.290 50 40 DEGB CC(C)(C)OC(=O)N/N=C/c1ccc(N2CCOCC2)s1 3275999 NNFHUIRZUPTECX-XNTDXEJSSA-N 311.407 2.443 50 40 DEGB C/C(=N/NC(=O)c1cnccn1)c1cccc(Br)c1 13597296 SRYUPEIJTLBQDN-MFOYZWKCSA-N 319.162 2.393 50 40 DEGB Cc1cc2c(c(=O)o1)[C@@H](c1cccc(F)c1F)C(C#N)=C(N)O2 2555316 UWEABYAGFQFZFW-LBPRGKRZSA-N 316.263 2.445 50 40 DEGB CC(C)CNC(=S)NNC(=O)c1ccc(OC(F)F)cc1 8828975 QIJRTVVCPMFWJD-UHFFFAOYSA-N 317.361 2.053 50 40 DEGB O=C1c2ccccc2C(=O)c2c(NC[C@@H](O)CCl)cccc21 4935403 QVNLDKAGSINHJE-JTQLQIEISA-N 315.756 2.474 50 40 DEGB COC(=O)/C(O)=C1\C(=O)[C@@]2(C)CC[C@@H]1[C@@]2(C)CBr 4228221 VWPNDMWKMFEUNP-AACIBQLGSA-N 317.179 2.372 50 40 DEGB O=C(COc1ccc2c(c1)CCC2)NNC(=O)c1cccs1 5823463 HYNYOPBDXUSVLP-UHFFFAOYSA-N 316.382 2.077 50 40 DEGB O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccncc1 12934109 QQCPMTZRXUKWAO-UHFFFAOYSA-N 323.274 2.104 50 40 DEGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N\NC(=O)c1ccccc1 19813892 RNRWNAPKLAJQPS-JJBLJPBOSA-N 320.352 2.441 50 40 DEGB CC1(C)CC(=O)C=C(NNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 29098 OUJGLUZXTNBFCI-UHFFFAOYSA-N 317.345 2.031 50 40 DEGB N#C/C(=C/c1ccco1)C(=O)NCC[S@@](=O)c1ccccc1 78914654 YBWLUMGMOKCGDW-YLQXFRFJSA-N 314.366 2.111 50 40 DEGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(O)c(O)c(O)c1 2748342 ASCMFRIOWGJXCD-QGMBQPNBSA-N 311.297 2.049 50 40 DEGB CCOC(=O)NNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 23241928 MZXWAGUXRQSZHP-UHFFFAOYSA-N 310.309 2.289 50 40 DEGB C[C@@]1(CBr)[C@@H]2CC[C@]1(CBr)C(=O)C2=O 100746568 VVGZRNFSODSHMS-DRTBCBBWSA-N 324.012 2.331 50 40 DEGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2F)o1)C(N)=O 252484037 FMOJJHAJUHKFDN-YVMONPNESA-N 301.233 2.386 50 40 DEGB CCCC(=O)Oc1ccc(/C=C(\C#N)C(=O)OC)cc1OC 144520 WEAYYNAIGKQYOR-XYOKQWHBSA-N 303.314 2.481 50 40 DEGB COc1cccc(N2C[C@H](NC(=O)C(C)(C)CCl)CC2=O)c1 5194703 BQAKVPZADOZJHZ-LLVKDONJSA-N 324.808 2.182 50 40 DEGB ClCC1=N[C@H]2[C@@H](N1)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]2Cl 104159916 RFQYQSNQRAXEJB-CBUHOJLWSA-N 310.439 2.407 50 40 DEGB COCC(=O)N/N=C(\C)CC(=O)Nc1cccc2c1CCCC2 100522883 PTXWFHXGZZVXPH-XDHOZWIPSA-N 317.389 2.033 50 40 DEGB NC(=O)NN[C@@H](C(=O)Nc1ccc(Cl)cc1)c1ccccc1 408734361 OUGUTVWVHGFAPQ-CYBMUJFWSA-N 318.764 2.193 50 40 DEGB COc1cccc(C(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c1 408866450 HKKBCGVNCNYLKO-SXGWCWSVSA-N 315.285 2.073 50 40 DEGB CCn1cc(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc21 583073 UZLZSEWHJSYIMV-WOJGMQOQSA-N 315.373 2.264 50 40 DEGB COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(CCl)C2=O 38982610 IAVWIJNTOZKJNL-UHFFFAOYSA-N 303.767 2.159 50 40 DEGB C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccncc3)cc2C1 5423572 LWGCJPNGMCFHAG-JTQLQIEISA-N 315.398 2.343 50 40 DEGB Cc1nn(C)cc1[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 19840810 QYGHQMGJZHOAKH-CZUORRHYSA-N 318.384 2.322 50 40 DEGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OC(C)=O 409373661 YIGLAHVRCIRSKH-NTEUORMPSA-N 314.341 2.150 50 40 DEGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)c(C)c1 409126824 CEZQMTSMOIVIRI-XYOKQWHBSA-N 310.309 2.434 50 40 DEGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])o1 137767 FUMDNFGDSZVRGU-VIZOYTHASA-N 323.692 2.370 50 40 DEGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1 345348 IXUHULLLDDBVHD-LZYBPNLTSA-N 317.301 2.334 50 40 DEGB Cc1ccc(O[C@H](C)C(=O)NNC(=O)c2cccs2)cc1 12292657 CZXUDPHWWBQTMB-LLVKDONJSA-N 304.371 2.285 50 40 DEGB O=C(N/N=C/c1c(F)cccc1F)c1ccc2c(c1)OCO2 3475015 FBYVIRCDOMKDLL-CNHKJKLMSA-N 304.252 2.457 50 40 DEGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1O 5686468 LCWUCWSHKXOYBD-AWEZNQCLSA-N 312.329 2.041 50 40 DEGB Cc1cccc(NCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1 33284717 HFKIOFCGLNTLHQ-ZDLGFXPLSA-N 312.329 2.465 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccccc2OC)c(O)c1 409391574 JVVPZXOXZCZUFJ-LICLKQGHSA-N 300.314 2.173 50 40 DEGB Cc1[nH]c2ccc(C(=O)NNC(=O)c3cccnc3)cc2c1C 13004858 TZGKWUBMFFTWCJ-UHFFFAOYSA-N 308.341 2.255 50 40 DEGB CC(=O)C1=C(O)C(=O)N(CCBr)[C@H]1c1ccccc1 550628 LQHIFEIHBIJABM-LBPRGKRZSA-N 324.174 2.366 50 40 DEGB O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1ccco1 3151147 MHPVUHRLNAXVHF-LICLKQGHSA-N 303.293 2.288 50 40 DEGB CN(C)NC(=O)c1ccsc1NC(=O)c1ccc(C#N)cc1 7386536 BXQKVGDDGFDCPV-UHFFFAOYSA-N 314.370 2.078 50 40 DEGB CCOC(=O)/C(C#N)=C1/C(=O)Nc2ccc(Br)cc21 143874 CDLPXDJPAROXNX-PKNBQFBNSA-N 321.130 2.241 50 40 DEGB N#CC(C#N)=Cc1c(N2CCCCC2)nc2ccccn2c1=O 551659 QJOFAWCCQYSIQI-UHFFFAOYSA-N 305.341 2.115 50 40 DEGB COc1ccc(OCC(=O)N/N=C/c2ccccc2F)cc1 6684570 MDNKGTDGZGGPHQ-VCHYOVAHSA-N 302.305 2.363 50 40 DEGB COc1ccc(NC(=S)NNC(=O)Cc2ccccc2)cc1 59449423 PDCCKFQEBCCBES-UHFFFAOYSA-N 315.398 2.256 50 40 DEGB O=C(NCCc1ccc(F)cc1)NNC(=O)Nc1ccccc1 12779625 OQBOGKRANXQFFL-UHFFFAOYSA-N 316.336 2.404 50 40 DEGB CC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 4108042 IWPCWVJOXPWDSE-LZYBPNLTSA-N 300.274 2.252 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C\c1cccc([N+](=O)[O-])c1O 409226254 MHUIBKGOUNUCHM-MFOYZWKCSA-N 317.276 2.132 50 40 DEGB Cc1cccc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)n1 131684 FJDKSTJKADGTTR-XDHOZWIPSA-N 319.368 2.399 50 40 DEGB COc1cccc(/C=N/NC(=O)CNc2ccccc2)c1OC 5738869 BKAGEJGTERNPAX-YBFXNURJSA-N 313.357 2.266 50 40 DEGB O=C(NNC(=O)C1CCCCC1)c1ccc(C(F)(F)F)nc1 22996701 OZQGAEFFRKLIHZ-UHFFFAOYSA-N 315.295 2.442 50 40 DEGB C[C@]12C[C@@H](Br)[C@@H](Br)C[C@]1(C)C(=O)N2 104279153 ZEUFWIIXHNVBQQ-LWIVVEGESA-N 311.017 2.202 50 40 DEGB Cn1nc(C2CC2)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253400712 LNYWHOQWFUBESJ-HNNXBMFYSA-N 310.357 2.112 50 40 DEGB CN1c2ccccc2C(C)(C)[C@@]12C=C(C#N)C(=C(C#N)C#N)N2 1567913 NECBGKUVHYXJCU-GOSISDBHSA-N 301.353 2.465 50 40 DEGB COc1cc2c(cc1OC)/C(=C(/C#N)CCC(C)=O)NCC2 104091139 ZQQMULLCJTWENR-LGMDPLHJSA-N 300.358 2.453 50 40 DEGB CCc1ccc(N2C[C@@H](C(=O)NCCCCl)CC2=O)cc1 4976588 QKNXZMGLMFYQFZ-ZDUSSCGKSA-N 308.809 2.347 50 40 DEGB CC(C)COc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1 408600550 CXGWJMOHQHPWDE-LFIBNONCSA-N 314.385 2.487 50 40 DEGB COc1ccc(CC(=O)N/N=C\c2ccccc2O)cc1OC 5514257 LOWJLASTUUCKLP-WQRHYEAKSA-N 314.341 2.102 50 40 DEGB C/C(=N/NC(=O)C1CC1)c1cccc(NC(=O)C(F)(F)F)c1 5826621 PHQJTVYOGVBEFA-UWVJOHFNSA-N 313.279 2.438 50 40 DEGB CC(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 16806079 AWZSWHYYTXVZTD-UHFFFAOYSA-N 306.325 2.078 50 40 DEGB Cc1ccc(C(=O)NNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)s1 102242154 ZCYXXKXKBFDQPI-GMTAPVOTSA-N 309.460 2.354 50 40 DEGB N#C/C(=C\c1cccc(O)c1)C(=O)NCc1ccc2c(c1)OCO2 59133197 JJNPWYJQVCYCHA-MKMNVTDBSA-N 322.320 2.344 50 40 DEGB CC(C)(C)c1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)[nH]n1 8973464 TZKXXUQEUSIOGI-VGOFMYFVSA-N 321.362 2.441 50 40 DEGB COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)ccc1O 492638 OOXAHMQGJFFVEY-MBNTZHJCSA-N 314.341 2.318 50 40 DEGB Cc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nc2ccccn12 9097103 NGMSXAVGKNBHLD-LICLKQGHSA-N 323.312 2.315 50 40 DEGB O=C(NNS(=O)(=O)/C=C/c1ccccc1)Nc1ccccc1 8855588 LVWDAXCHBNNXEN-VAWYXSNFSA-N 317.370 2.313 50 40 DEGB CCOc1ccc(N2C[C@H](C(=O)Cl)CC2=O)c([N+](=O)[O-])c1 70461191 QMOYTXIEQGJUSG-MRVPVSSYSA-N 312.709 2.112 50 40 DEGB CCN(CC)c1cc(C)nc(SCC(=O)NN=C(C)C)n1 5194499 XZLSLUFLUQDZKI-UHFFFAOYSA-N 309.439 2.235 50 40 DEGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccccn1 20986318 KAQHIYMWUXXNIQ-XDHOZWIPSA-N 315.402 2.121 50 40 DEGB Cc1occc1C(=O)NNC(=O)NCC1(c2ccccc2)CC1 40498181 NOXKGCNCYAVBMM-UHFFFAOYSA-N 313.357 2.264 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C/c1ccc2c(c1)OCO2 258135 GJGTYODYLMPEOY-GIJQJNRQSA-N 300.289 2.247 50 40 DEGB O=C(NNS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 70480 DPNNDGCDQIZBSK-UHFFFAOYSA-N 316.810 2.230 50 40 DEGB COc1ccccc1OCC(=O)N/N=C/c1ccc(F)cc1 3340855 VQHZDXKQEWSGNV-VCHYOVAHSA-N 302.305 2.363 50 40 DEGB C[C@@](F)(Br)C(=O)OC(=O)[C@](C)(F)Br 885164238 XRYRHZIWGDLFSB-WDSKDSINSA-N 323.915 2.217 50 40 DEGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)c1cccnc1 8499647 CODIVKUBJQIOLI-HMHKGCENSA-N 308.341 2.261 50 40 DEGB CC(C)N1CCC(=NNC(=O)CNc2ccc(F)cc2)CC1 58141666 HBLJKGVHYPDICJ-UHFFFAOYSA-N 306.385 2.214 50 40 DEGB CCOC(=O)C/C(C)=N/NC(=O)CSCc1ccccc1 408719645 ISXOBWYPZBDIFX-FOWTUZBSSA-N 308.403 2.365 50 40 DEGB O=C(N/N=C/c1ccccc1Cl)c1ccc(/C=N/O)nc1 5583453 QATZTPGJKFEILK-YPOGWSRFSA-N 302.721 2.307 50 40 DEGB Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)CCl)cc1 163603 WFSFKEVGRYOACB-UHFFFAOYSA-N 305.765 2.094 50 40 DEGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(N)=O 408829809 XLMIIWUKLCUGBY-UXBLZVDNSA-N 307.147 2.406 50 40 DEGB C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)CC#N 100522885 AULOPRCPGBQOOL-UDWIEESQSA-N 312.373 2.300 50 40 DEGB NC(=O)N/N=C/C(Cc1ccccc1)=N/OCc1ccccc1 8655874 OXOCSFROJHOSIF-FHCHWCQOSA-N 310.357 2.456 50 40 DEGB COC(=O)c1c(C)[nH]c(C(=O)NN(C)c2ccccc2)c1C 9053101 XSSFZOZTAUZIAO-UHFFFAOYSA-N 301.346 2.199 50 40 DEGB C/C(CC(=O)N(C(C)C)C(C)C)=N/NC(=O)c1ccncc1 17211651 QAQVAYQXTAWVGT-AQTBWJFISA-N 304.394 2.223 50 40 DEGB CC[C@]1(O)C[C@]2(CCCC[C@@H]2I)OC1=O 1611651 JHYROJOLJZMOJT-LSJOCFKGSA-N 324.158 2.191 50 40 DEGB COc1ccc(CCNC(=O)CCBr)cc1OC 4905223 UQHYRKHEEKEQCC-UHFFFAOYSA-N 316.195 2.148 50 40 DEGB CCCCNC(=S)NNC(=O)c1cc2ccccc2cc1O 3227975 JOLPDQKZHLZCLV-UHFFFAOYSA-N 317.414 2.454 50 40 DEGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1cccnc1)C2 409196451 VUONMANUKIBQDB-AWQFTUOYSA-N 308.385 2.164 50 40 DEGB O=C(Cl)c1cc(Cl)c(N2CCOCC2)c([N+](=O)[O-])c1 70462623 RNNWBLSRXLPEGO-UHFFFAOYSA-N 305.117 2.464 50 40 DEGB O=C(Br)[C@@H](Br)CCBr 100070147 DMXVIRCAGMRKKJ-VKHMYHEASA-N 308.795 2.456 50 40 DEGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccsc2)[C@H]2COCC=C12 20057851 DKODWWWXNVZULB-UONOGXRCSA-N 308.366 2.188 50 40 DEGB C/C(CC(=O)Nc1cccc(F)c1)=N\NC(=O)c1ccncc1 101159698 MLYVOPYISWIQSW-RGVLZGJSSA-N 314.320 2.355 50 40 DEGB C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)c1ccncc1 100089798 OOQRSOWNSTUNFN-CIAFOILYSA-N 321.340 2.088 50 40 DEGB CN(CC(=O)Nc1ccccc1Br)C(=O)CCl 3342669 KGOAKHKFHXKAMA-UHFFFAOYSA-N 319.586 2.085 50 40 DEGB N#CCOc1ccccc1/C=N/NC(=O)COc1ccccc1 4544384 SNFDSGQTVVZHRN-XDHOZWIPSA-N 309.325 2.118 50 40 DEGB N#C/C(=C/c1ccc(I)cc1)C(N)=S 408542122 GUUPGKRCDFIAFI-YVMONPNESA-N 314.151 2.484 50 40 DEGB COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1O 36224070 GALXSIRECCRWTA-ZDLGFXPLSA-N 302.305 2.233 50 40 DEGB Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1 524266 RCIBNNKHZRRPNJ-UHFFFAOYSA-N 324.789 2.272 50 40 DEGB CC1(CC(=O)N/N=C/c2c(O)ccc3ccccc23)OCCO1 59366754 IEWGISWYSLHEHJ-WOJGMQOQSA-N 314.341 2.149 50 40 DEGB Cc1cc(C)nc(NNC(=O)CSCc2ccccc2)n1 42060879 JDXINYJUPXIRDZ-UHFFFAOYSA-N 302.403 2.470 50 40 DEGB O=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccncc1 34041446 XKWQSGIJXXQNLJ-UHFFFAOYSA-N 314.732 2.291 50 40 DEGB COC(=O)CS[C@@H](NC(=O)c1ccccc1)C(Cl)Cl 101411129 DQSGMTJRMMNFDB-GFCCVEGCSA-N 322.213 2.452 50 40 DEGB COc1ccc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1 261305 INAOHETTXUTPEM-WOJGMQOQSA-N 314.341 2.233 50 40 DEGB COC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(OC)c(SC)c1 75137491 WTZATIKWKHAARJ-HKMIMPICSA-N 320.414 2.475 50 40 DEGB Cc1c(C(=O)N/N=C/c2ccccc2)sc2ncnc(N)c12 408972316 AMEQUBJOSHKZQH-FBCYGCLPSA-N 311.370 2.346 50 40 DEGB COc1ccc(C(=O)NNc2ccc([N+](=O)[O-])c(C)n2)cc1 82238066 BUVDMKAFAAGPRO-UHFFFAOYSA-N 302.290 2.064 50 40 DEGB CC(=O)n1cc(/C=N/NC(=O)c2cccnc2)c2ccccc21 246020 GCSXLUJMRQVXCH-VXLYETTFSA-N 306.325 2.460 50 40 DEGB Cc1nc2scc(C)n2c1/C=N/NC(=O)c1ccccc1O 7950593 VBGZPARTRIPOBN-FRKPEAEDSA-N 314.370 2.482 50 40 DEGB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NN)c2n1 3278022 GFCBMQGESMIYDP-UHFFFAOYSA-N 300.145 2.219 50 40 DEGB C[C@@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 68830697 ZOQZTOZWJYEECU-GFCCVEGCSA-N 323.824 2.223 50 40 DEGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(O)c(O)c1 409362390 JGNMDECURDSQHI-QGMBQPNBSA-N 319.748 2.313 50 40 DEGB Cn1/c(=N\NC(=O)c2n[nH]c3ccccc23)sc2ccccc21 104900001 XYWFYESSAXRNSQ-CAPFRKAQSA-N 323.381 2.362 50 40 DEGB COc1cc(/C=N/NC(=O)NC2CCCCC2)cc(OC)c1O 3273324 VANIDCKQIJPAEF-LICLKQGHSA-N 321.377 2.375 50 40 DEGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(C)=O)o1 409016427 CMOSTZLHHKZPOW-OVCLIPMQSA-N 303.274 2.333 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(O)c1 409390248 CDXWQUWEUSCDBX-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB CCOc1ccc(N2C[C@@H](C(=O)Cl)CC2=O)c([N+](=O)[O-])c1 70461192 QMOYTXIEQGJUSG-QMMMGPOBSA-N 312.709 2.112 50 40 DEGB CCc1[nH]nc2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 809320 CRJWUCAWIOYGCO-LBPRGKRZSA-N 302.284 2.468 50 40 DEGB CCOc1ccc(/C=N\NC(=O)c2ccccc2N)cc1OC 31723613 VZWXECCEYAACQA-ODLFYWEKSA-N 313.357 2.440 50 40 DEGB CSc1ncc(-c2nnsc2C(=O)OCCCl)cn1 223855115 IIQHYIOSBUAVAM-UHFFFAOYSA-N 316.795 2.113 50 40 DEGB NNC(=O)c1cnc(-c2ccccc2)nc1NCc1ccccc1 223462817 PUZVSBIEHNHUGI-UHFFFAOYSA-N 319.368 2.359 50 40 DEGB NC(=O)N/N=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 16384566 NQBAOAOTIHKEJH-SOFYXZRVSA-N 307.693 2.300 50 40 DEGB COC(=O)/C(C#N)=C1/[C@H]2CC[C@@H](C)[C@H]1C(=O)C(C#N)=C2SC 104834953 VTNUUNLCRFINGS-DXNOZAGYSA-N 316.382 2.365 50 40 DEGB COC(=O)/C(O)=C1\C(=O)[C@@]2(C)CC[C@H]1[C@@]2(C)CBr 100958887 VWPNDMWKMFEUNP-XJUKCQJASA-N 317.179 2.372 50 40 DEGB O=C(N/N=C/c1ccc[nH]1)C(O)(c1ccccc1)c1ccccc1 5681863 JLJSGEQKCGUUQZ-KGENOOAVSA-N 319.364 2.401 50 40 DEGB COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccnc2)c1C 408862292 GOOPGGYJCDMXSU-MHWRWJLKSA-N 324.384 2.159 50 40 DEGB O=C1CCN(C(=O)OCc2ccccc2)C[C@H]1Br 44154618 HIJNDCHNTWYMKT-LLVKDONJSA-N 312.163 2.362 50 40 DEGB C[C@H](Cl)C(=O)Nc1nc2cc(S(C)(=O)=O)ccc2s1 257239190 HOHPSIZSWPUZRR-LURJTMIESA-N 318.807 2.266 50 40 DEGB COC1(OC)OC=C(C#N)[C@H](c2ccccc2)C1(OC)OC 4568200 HULCTWQDMZDEJS-AWEZNQCLSA-N 305.330 2.144 50 40 DEGB CCN1C(=O)/C(=C(\C#N)C(=O)Nc2cccnc2)c2ccccc21 409145907 QKTFPHHNQBNMDI-JQIJEIRASA-N 318.336 2.364 50 40 DEGB O=C(N/N=C/c1cccnc1)C(=O)Nc1cccc2ccccc12 48573655 CNLOJKZRACLGHM-UDWIEESQSA-N 318.336 2.324 50 40 DEGB COc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c1 5527423 JFHLWGSMWUDRLZ-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB O=C1OC(=O)[C@H]2[C@@H]1[C@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl 100494304 FJDLXLHNYCLTEA-ASQNABRVSA-N 301.940 2.364 50 40 DEGB O=C(/C=C/c1cccs1)NNC(=O)c1cccc([N+](=O)[O-])c1 3309740 CENSYTBCVPEJGZ-VOTSOKGWSA-N 317.326 2.131 50 40 DEGB COC(=O)/C(CC(=O)C(C)(C)C)=N\NC(=O)OC(C)(C)C 4503234 DMQOSQSDMLUZBI-DHDCSXOGSA-N 300.355 2.045 50 40 DEGB CC(C)Nc1nc(-c2cccc(Cl)c2)ncc1C(=O)NN 223462217 FWCWHUQKKNKGDN-UHFFFAOYSA-N 305.769 2.221 50 40 DEGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)CC(C)C 3151198 HJDPALABSLGXRJ-LICLKQGHSA-N 300.362 2.383 50 40 DEGB C[C@@H](Sc1ccccc1)C(=O)NNC(=O)c1ccccc1O 5174077 IMNDQGADLGQRPD-LLVKDONJSA-N 316.382 2.334 50 40 DEGB N#C/C(=C\N1CC(=O)NC1=S)C(=O)c1ccc2ccccc2c1 6576596 PWDQPWXSFVZRNE-NTEUORMPSA-N 321.361 2.147 50 40 DEGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)N1CCCC1 59459595 QIEJWGJNLOSJQK-LZYBPNLTSA-N 314.172 2.066 50 40 DEGB O=C(Br)[C@H](Br)CCBr 100070149 DMXVIRCAGMRKKJ-GSVOUGTGSA-N 308.795 2.456 50 40 DEGB CCCC(CCC)=NNC(=O)CC(=O)NCc1cccnc1 59461598 YDJGKECXDKYMIX-UHFFFAOYSA-N 304.394 2.160 50 40 DEGB C/C(=N\NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccco1 5024565 RXVGXSHWMFTAQY-VCHYOVAHSA-N 319.748 2.203 50 40 DEGB C=CCNC(=S)NNC(=O)COc1ccc(C(C)(C)C)cc1 6825633 MRMYCSXIPKRPNK-UHFFFAOYSA-N 321.446 2.044 50 40 DEGB Cc1nc2ccc(C(=O)NNC(=O)OC(C)(C)C)cc2nc1C 69484438 QUUALZLJRRKKCD-UHFFFAOYSA-N 316.361 2.416 50 40 DEGB COc1ccc(/C=C/C(=O)NNC(=O)Cc2ccccc2)cc1 510593 WTQTWZRPQAQAHX-FMIVXFBMSA-N 310.353 2.099 50 40 DEGB CN1C=CC2=C(C#N)[C@@H](N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@H]2C1 4476371 PFPORCXOCGBIOO-OKZBNKHCSA-N 315.380 2.040 50 40 DEGB CN(NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1 8776683 MDHBERKFHDICLC-UHFFFAOYSA-N 301.302 2.141 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)o1 83310889 XVKZGIJTSWWTKJ-GYZOOYGHSA-N 315.373 2.310 50 40 DEGB CS(=O)(=O)[C@H](Br)C(=O)c1cccc(Cl)c1 96517827 SBBADVCBPIFPMK-VIFPVBQESA-N 311.584 2.288 50 40 DEGB Cc1cccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1 568884 RJYBRNXYOCPMHJ-UHFFFAOYSA-N 318.760 2.488 50 40 DEGB Cc1cccc(NCC(=O)N/N=C\c2c(C)cc(O)cc2O)c1 58983103 PIAVRLQEIIKUAZ-OCKHKDLRSA-N 313.357 2.277 50 40 DEGB COc1ccccc1C(=O)N/N=C/c1ccccc1OCC#N 59165453 SYLFFMHMALGNHH-XDHOZWIPSA-N 309.325 2.361 50 40 DEGB O=C(CCl)N1CCN(c2ncc(Cl)cc2Cl)CC1 57214373 ASRKRHZMWQUUCX-UHFFFAOYSA-N 308.596 2.276 50 40 DEGB in-vitro CN(C)C(=O)[C@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 100748361 KBMARDPLVZNCNA-JCOFBHIZSA-N 302.212 2.234 50 40 DEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccccc2F)c1C 6901546 NVYLKLMEBRRTMA-UHFFFAOYSA-N 317.320 2.048 50 40 DEGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])o1 409377792 KUTXIAXTKXBQIE-XFFZJAGNSA-N 300.274 2.283 50 40 DEGB CCNC(=O)NNC(=O)COc1ccc(-c2ccccc2)cc1 72592420 VBBWSCDKOPKCTF-UHFFFAOYSA-N 313.357 2.083 50 40 DEGB N#C/C(=C/c1ccco1)C(=O)NCc1cccc2c1OCCO2 67044000 WDFHDKHEVIQFMS-LCYFTJDESA-N 310.309 2.274 50 40 DEGB COc1ccccc1/C=N/NC(=O)CCn1nc(C)cc1C 1249180 NPUXQZLVCRKXKF-GZTJUZNOSA-N 300.362 2.049 50 40 DEGB CC/C(=N\NC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 6945644 CCQIHZAHDCYBSL-KNTRCKAVSA-N 320.356 2.206 50 40 DEGB Cc1c(/C=N/NC(=O)CC2(C)OCCO2)c2ccccc2n1C 9434505 JQEDPJSMVMWQEI-WOJGMQOQSA-N 315.373 2.090 50 40 DEGB O=C(NC[C@H]1CCCO1)NN=C1CCN(C2CCCCC2)CC1 71830868 FGVANNHYIIDIOF-MRXNPFEDSA-N 322.453 2.249 50 40 DEGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1 409001246 ONMJNYJVTBGAQH-GZTJUZNOSA-N 312.329 2.425 50 40 DEGB O=C(N[C@H]1CCCN(C(=O)CCl)C1)OCc1ccccc1 79411749 RADHCSBXJDPHQT-ZDUSSCGKSA-N 310.781 2.143 50 40 DEGB CCOc1cc(Br)c(/C=N\NC(C)=O)cc1OC 32122964 FIDRPKXXNQEEHO-AUWJEWJLSA-N 315.167 2.326 50 40 DEGB N#CCCO[P@](=O)(N(CCCl)CCCl)N1CC1 5572673 VRXAYEMUOIXCIB-QGZVFWFLSA-N 300.126 2.120 50 40 DEGB O=C(N/N=C/c1c(F)cccc1F)[C@@H]1COc2ccccc2O1 3225884 ORHHZHOTAIVNFV-UZSVJVCZSA-N 318.279 2.255 50 40 DEGB C[C@H]1CCCC/C1=N/NC(=O)C(=O)N/N=C1/CCCC[C@H]1C 39343167 WVRUHNLWNOOWEC-FGTHDGKWSA-N 306.410 2.351 50 40 DEGB COC(=O)[C@H](CCCBr)NC(=O)OC(C)(C)C 231507363 LUZVFJDTKGGUTQ-QMMMGPOBSA-N 310.188 2.228 50 40 DEGB O=C(CCCC(=O)NC1CCCCC1)N/N=C/c1ccncc1 4953438 GTPAQCWVDDUSPX-CPNJWEJPSA-N 316.405 2.151 50 40 DEGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cccnc1 59516138 QRNSWAWUQSMRKO-GIJQJNRQSA-N 316.748 2.132 50 40 DEGB CC(C)C(=O)Nc1cccc(N2C[C@H](C(=O)Cl)CC2=O)c1 45953927 WTBLGGQKCXMMRC-SNVBAGLBSA-N 308.765 2.399 50 40 DEGB Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccs2)c1 569192 OPKYFIXRNOCWMQ-UHFFFAOYSA-N 304.371 2.205 50 40 DEGB CC/C(=N\NC(=O)c1ccccc1O)c1cc(O)ccc1O 17024916 HGRKYJDOWPCTEI-GHRIWEEISA-N 300.314 2.348 50 40 DEGB C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)Nc1ccccc1 32686399 XWYPQVKHSXRLRL-LBPRGKRZSA-N 324.340 2.178 50 40 DEGB CCc1cc2ccc(C)cc2nc1SCC(=O)NNC(C)=O 410752 GXNANNJOWXMFSU-UHFFFAOYSA-N 317.414 2.365 50 40 DEGB Cc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 23724008 IJOPSHRZKUEFLW-GUNGLEHYSA-N 315.329 2.105 50 40 DEGB NC(=O)N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409383922 PBFHBZUOQLEVCS-RQZCQDPDSA-N 314.301 2.176 50 40 DEGB Cc1nc2ccccc2nc1COc1ccccc1C(=O)NN 6796315 HLMDGRRGUJQKQO-UHFFFAOYSA-N 308.341 2.121 50 40 DEGB O=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1 36188440 IJYBBCZPANEEAF-PXNMLYILSA-N 303.249 2.203 50 40 DEGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cccc(O)c2)c1 13922421 CVYCYBCZWAKNOG-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB COc1cccc(/C(C)=N/NC(=O)CSc2ncccn2)c1 16184135 PBZVSLWPUDUEPX-WOJGMQOQSA-N 316.386 2.118 50 40 DEGB O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)NC1CCCCC1 16134348 AJNVNUPZEJWGIW-LSDHHAIUSA-N 301.390 2.453 50 40 DEGB C/C(=N\NC(=O)c1cccs1)c1cccc(OCC(=O)O)c1 8044605 JJEUNEYADDNBBD-MHWRWJLKSA-N 318.354 2.366 50 40 DEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 408969826 VEGAJPZPXRKPNP-MBNTZHJCSA-N 303.406 2.349 50 40 DEGB COc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1 216957476 MUUQZIJGQJMPAL-UHFFFAOYSA-N 323.352 2.250 50 40 DEGB N#C/C(=C\c1cccc(Br)c1)C(=O)N1CCOCC1 253444107 ARAYJNYGHQSSLX-XYOKQWHBSA-N 321.174 2.215 50 40 DEGB CC[C@@H](C)Oc1cccc(C(=O)NNC(=O)c2ccncc2)c1 5984509 OHCLGDIOYILBBQ-GFCCVEGCSA-N 313.357 2.334 50 40 DEGB CN(C)c1cccc(C(=O)NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 102317225 ZWZJXACOSUQBEU-YDHLFZDLSA-N 315.417 2.340 50 40 DEGB CC(C)C(=O)NNC(=O)c1ccc(-n2cnc3ccccc32)cc1 21903811 HXHZTJRLOPCAIX-UHFFFAOYSA-N 322.368 2.443 50 40 DEGB COc1cc(NC(=O)N(CCCl)N=O)cc(OC)c1OC 4973281 NDGQFPVSUUWMNE-UHFFFAOYSA-N 317.729 2.467 50 40 DEGB CN(C)C(=O)[C@@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C 100748358 KBMARDPLVZNCNA-BZHVJNSISA-N 302.212 2.234 50 40 DEGB O=C(NN=C1CCN(Cc2ccccn2)CC1)NC1CCCC1 65672091 NCIURMXSGLIDBX-UHFFFAOYSA-N 315.421 2.275 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc2ccccc2cc1O 104745279 GATTUWHUCRBSJJ-UVTDQMKNSA-N 310.309 2.028 50 40 DEGB O=S(=O)(c1ccc(F)cc1)N1CCC(Br)CC1 19783759 YDRLFTBVSLUSHB-UHFFFAOYSA-N 322.199 2.374 50 40 DEGB COC(=O)[C@H]1C(=O)NC(S)=C(C#N)[C@@H]1c1ccccc1Cl 278635 NHZCPNMTDJFYKY-WDEREUQCSA-N 322.773 2.008 50 40 DEGB C[C@H]1CN(C(=O)CCl)c2ccccc2N1C(=O)CCl 1724122 FVDLIYRCTVPBKK-VIFPVBQESA-N 301.173 2.232 50 40 DEGB C/C(=N/NC(=O)CCc1c(C)n[nH]c1C)c1ccc(O)cc1 4994629 DCZFXKQUMDTRMS-YVLHZVERSA-N 300.362 2.205 50 40 DEGB Cn1nc(C(=O)NN=C2CCCCCC2)c2ccccc2c1=O 8341710 KCKZGAUVSMMICS-UHFFFAOYSA-N 312.373 2.374 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccccc2)c(OC)c1OC 3573038 KAXKIEHGLNYPBV-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB Cc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1 320049 NFZVDZDJZAVJPG-UHFFFAOYSA-N 318.760 2.488 50 40 DEGB NC(=O)NNC(=S)Nc1ccc(Oc2ccccc2)cc1 9189524 AAUSRNRKZPMMKQ-UHFFFAOYSA-N 302.359 2.349 50 40 DEGB O=C(NNC(=O)c1ccccc1-n1cccn1)c1ccccc1F 44279672 SXLYURJZCACKOM-UHFFFAOYSA-N 324.315 2.086 50 40 DEGB C/C(=N\NC(=O)CNC(=O)c1ccccc1Cl)c1ccco1 4833935 OUYAKMGRYPLVII-VCHYOVAHSA-N 319.748 2.203 50 40 DEGB COc1ccc(-c2ccc(/C=C(/C#N)C(N)=O)o2)c([N+](=O)[O-])c1 33406071 BFJZKTUZZQEZCX-TWGQIWQCSA-N 313.269 2.256 50 40 DEGB N#CC(C#N)=C1C(=O)N(CCN2CCCCC2)c2ccccc21 2225287 GAWVHTFTDBDBHV-UHFFFAOYSA-N 306.369 2.320 50 40 DEGB COC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccccc1Cl 6664591 BOFHMGPCOQLMCI-LLVKDONJSA-N 315.156 2.360 50 40 DEGB Cc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@@H]32)cc1 5546343 PUVDOYDENXOXGD-SUNKGSAMSA-N 322.290 2.267 50 40 DEGB N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1ccncc1 91131 ZUMFCNJIBDRZHC-CYBMUJFWSA-N 316.324 2.085 50 40 DEGB O=C(Cc1ccccc1)N/N=C/c1ccc(N2CCOCC2)cc1 3506110 HOPOCLMIYMGNSR-HMMYKYKNSA-N 323.396 2.216 50 40 DEGB COc1cc2c(cc1/C=N/NC(=O)Cc1ccccc1)OCO2 409053206 MEIRSKYVOISIAR-VCHYOVAHSA-N 312.325 2.117 50 40 DEGB CCOCCCn1c(=O)c2ccccc2n2c(CCl)nnc12 408712647 DYIBHXAIGCOYOP-UHFFFAOYSA-N 320.780 2.210 50 40 DEGB COc1ccc2c(c1)N(C(C)(C)C(=O)NN)C(C)(C)C=C2C 223207566 DOMDYJRDJHLCBM-UHFFFAOYSA-N 303.406 2.466 50 40 DEGB Cc1ccccc1OCC(=O)N/N=C/c1ccccc1C(=O)O 497029 QNFRHYYSZOIHGC-VCHYOVAHSA-N 312.325 2.222 50 40 DEGB C/C(=N/NC(=O)Cc1cccn1C)c1ccc([N+](=O)[O-])cc1 73577 LHOOBSWKIAQHPY-WJDWOHSUSA-N 300.318 2.016 50 40 DEGB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Cl)cc2)C1 4137147 XOVHXEYYZHHBKT-JTQLQIEISA-N 301.795 2.486 50 40 DEGB COc1ccc(CC(=O)N/N=C2\CC(=O)CC(C)(C)C2)cc1 100039619 LLLKIVROBXXSRE-QGOAFFKASA-N 302.374 2.489 50 40 DEGB CCOC(=O)C1CCC(NC(=O)N(CCCl)N=O)CC1 17418038 KTPPFFGIIASXSR-UHFFFAOYSA-N 305.762 2.040 50 40 DEGB O=[N+]([O-])c1ccc(S(=O)(=O)C/C=C/CCl)c([N+](=O)[O-])c1 1728993 NBQLRNWPLDGTAY-OWOJBTEDSA-N 320.710 2.072 50 40 DEGB CN(C)c1ccc(C(=O)NNC2=CC(=O)CC(C)(C)C2)cc1 52971 XRTWTSGWCWYEEX-UHFFFAOYSA-N 301.390 2.260 50 40 DEGB O=C(NCCCOc1ccccc1)NNC(=O)c1cccs1 29327593 NQBYDYJNTSAVBK-UHFFFAOYSA-N 319.386 2.161 50 40 DEGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccnn1C(F)F 253394140 AKQRDPFIHBUJHZ-LLVKDONJSA-N 306.272 2.093 50 40 DEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(C)c2C)c1 582439 IQNVQCVUIGEWFG-VCHYOVAHSA-N 312.373 2.364 50 40 DEGB C/C(=N\NC(=O)c1ccccc1)c1ccc(OCC(=O)O)cc1 5447061 RIPCSENWYMPSMI-LDADJPATSA-N 312.325 2.304 50 40 DEGB COC(=O)[C@H]1C(=O)NC(S)=C(C#N)[C@H]1c1ccccc1Cl 278641 NHZCPNMTDJFYKY-GHMZBOCLSA-N 322.773 2.008 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1[N+](=O)[O-] 562570 ROUBTFYDTQTJQG-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB Cc1cccc(C)c1OCC(=O)NNC(=O)CCc1ccco1 12761396 FDJREYQIRCUKLR-UHFFFAOYSA-N 316.357 2.055 50 40 DEGB C/C(=N\NC(=O)c1cccc(C)c1O)c1cc(O)ccc1O 408734084 IIDXYMQHLLLEJB-LICLKQGHSA-N 300.314 2.266 50 40 DEGB N#C/C(=C\c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)C(N)=O 408843345 SXRLOPPTXBWCQK-WEVVVXLNSA-N 301.233 2.386 50 40 DEGB O=C(NC[C@H]1CCCN(C(=O)CCl)C1)OCc1ccccc1 79411770 BONIADMWRKEHQJ-CQSZACIVSA-N 324.808 2.390 50 40 DEGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccco1 5297490 XABXPFQVMBRXPF-ZDUSSCGKSA-N 305.293 2.339 50 40 DEGB COC(=O)N[C@@H]1[C@@H](C)C=C[C@H](C)[C@@H]1I 4973076 UHBCANGCONBFBD-XSPKLOCKSA-N 309.147 2.357 50 40 DEGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(OC)c1OC 3311150 NTKQEJBPSKYVNR-WUXMJOGZSA-N 304.346 2.144 50 40 DEGB CCS(=O)(=O)[C@@H](Br)C(=O)c1cccc(C)c1 96517894 RMXBHOQSQLXLME-LLVKDONJSA-N 305.193 2.333 50 40 DEGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccco1 6796073 FLLUXJBAEVORHT-LICLKQGHSA-N 310.313 2.243 50 40 DEGB CN1C(N)=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 409148890 TWXSPXJONFFACR-OAHLLOKOSA-N 324.340 2.325 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)/C=C/c1cccc(Cl)c1 103106808 NARCPAJNOMYQOW-KWQUGSDZSA-N 304.733 2.222 50 40 DEGB Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)o1 18102004 OUHTXNUSJAHKIG-ZDUSSCGKSA-N 316.357 2.433 50 40 DEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 225390 JHVIOKWBMMJSQS-XDHOZWIPSA-N 324.384 2.475 50 40 DEGB COc1ccc(NC(=S)NNC(=O)c2ccccc2O)cc1 6569425 WAZBHMZCDOETDE-UHFFFAOYSA-N 317.370 2.032 50 40 DEGB CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)C(=O)CCl 100843917 UIBOXEWTSDTZNR-WJDWOHSUSA-N 303.145 2.479 50 40 DEGB CCN(CC)c1ccc(NC(=O)NNC(=O)OC(C)(C)C)cn1 58343638 SFQDMAPHEVMVFH-UHFFFAOYSA-N 323.397 2.489 50 40 DEGB C[C@]12C[C@@H](Br)[C@H](Br)C[C@@]1(C)C(=O)N2 104279158 ZEUFWIIXHNVBQQ-YGBUUZGLSA-N 311.017 2.202 50 40 DEGB CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(C(C)C)cc1 59515309 ICLLSEVOWPBLIA-YBFXNURJSA-N 303.406 2.422 50 40 DEGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 4699481 ISSVDPYTRGGOID-REZTVBANSA-N 316.188 2.216 50 40 DEGB Cc1ccc2c(c1)/C(=N\NC(=O)c1ccc3c(c1)OCO3)C(O)=N2 6684256 LVMZXDRMLFYAKH-UHFFFAOYSA-N 323.308 2.459 50 40 DEGB N#C/C(=C\c1cc(Cl)ccc1O)C(=O)NC[C@@H]1CCCO1 408735775 XJLVJGDFUWAWTK-VKUYVZBCSA-N 306.749 2.248 50 40 DEGB CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCl)CC1 79408853 VEPOIQWAGYGXHA-UHFFFAOYSA-N 304.818 2.473 50 40 DEGB N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1ccc(O)cc1 5819021 PKALGGJVDRRXQC-SECBINFHSA-N 322.246 2.352 50 40 DEGB CC[C@@H](CC(C)(C)O)C(=O)NNC(=S)Nc1ccccc1 13544257 RMNBOJKGAAWJLB-NSHDSACASA-N 309.435 2.191 50 40 DEGB O=C(NN(Cc1ccccc1)c1ccccc1)[C@@H]1COCCO1 32256739 FKKODJWHRNSQFE-KRWDZBQOSA-N 312.369 2.140 50 40 DEGB N#CC1=C(N)OC(N)=C(C#N)C1c1cc(Br)cs1 138009 ATFKJQXECXNCLT-UHFFFAOYSA-N 323.175 2.012 50 40 DEGB CCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2)cc1 328341 WXGNABBZSGWVCS-UHFFFAOYSA-N 311.341 2.110 50 40 DEGB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccco1 2072526 NLHVCVYAVGNEMV-LZNAANCOSA-N 313.357 2.184 50 40 DEGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1 408800180 NMVMFMYQHISVIN-HLVNSREUSA-N 316.357 2.362 50 40 DEGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccccc1F 216952783 UEIHVVZSJTZFAI-UHFFFAOYSA-N 311.316 2.381 50 40 DEGB O=C(N/N=C/c1c(F)cccc1F)[C@H]1COc2ccccc2O1 3225886 ORHHZHOTAIVNFV-ODGHKMFZSA-N 318.279 2.255 50 40 DEGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])o1 409364499 NTCOFFOFEDPSQB-FRKPEAEDSA-N 322.708 2.403 50 40 DEGB CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O1 1004533 VWGVRQHVJNBNJY-AWEZNQCLSA-N 314.341 2.340 50 40 DEGB CCCCCCCC(=O)NNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 100943765 MDVHGOHQCHRPDE-OSRDXIQISA-N 322.405 2.017 50 40 DEGB CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CCl 3135922 TZKZDSMYDBSVMM-UHFFFAOYSA-N 307.737 2.226 50 40 DEGB C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)o1 9366420 BJVYXNQGGJJODF-WLJLTVKHSA-N 310.361 2.300 50 40 DEGB CC(C)OC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1 96669563 KEUNSQNSQNEDFJ-PTNGSMBKSA-N 300.358 2.382 50 40 DEGB N#CCOc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 408828878 MZXLHUKMZLDICW-XDHOZWIPSA-N 309.325 2.118 50 40 DEGB Cc1ccccc1COc1ccc([N+](=O)[O-])cc1C(=O)NN 226319407 BNYPQKUPBUQNFH-UHFFFAOYSA-N 301.302 2.086 50 40 DEGB O=C(CCCSc1ccccc1)NNC(=O)c1cccnc1 9514483 FJYHKYVOEKCMQH-UHFFFAOYSA-N 315.398 2.415 50 40 DEGB COc1ccc(/C=N/NC(=O)COc2ccccc2)cc1OC 342986 CBQZQBOIGSXXQV-WOJGMQOQSA-N 314.341 2.233 50 40 DEGB O=C(NNC(=O)c1ccccc1O)c1ccc2ccccc2n1 17526695 LGQSITPSSDXECL-UHFFFAOYSA-N 307.309 2.015 50 40 DEGB O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCS(=O)(=O)C1 42000016 SVXIPOHPBHYLCM-MNOVXSKESA-N 323.505 2.004 50 40 DEGB CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(COC)c32)cc1 4631555 TVCVBTRWWREOIS-CQSZACIVSA-N 310.357 2.337 50 40 DEGB C/C(=N\NC(=O)c1cc(C)nc2c1c(C)nn2C)c1cccnc1 17056007 SDPXJDKDHNUHHM-RGVLZGJSSA-N 322.372 2.134 50 40 DEGB N#CCCn1cc(/C=N/NC(=O)c2cnccn2)c2ccccc21 3198051 RSNDPTCXLCIBHT-UFFVCSGVSA-N 318.340 2.109 50 40 DEGB O=C(N/N=C/c1ccc(Br)cc1O)c1cccnc1 3176957 XPQGABCMZSLKHU-LZYBPNLTSA-N 320.146 2.314 50 40 DEGB C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccnc1 20436272 SONXJDAPQFUAHE-AWEZNQCLSA-N 313.382 2.437 50 40 DEGB CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccnc2O)cc1 12997534 VVMDJYBHQNNUDC-UHFFFAOYSA-N 313.357 2.160 50 40 DEGB N#C/C(=C/c1cccc([N+](=O)[O-])c1O)C(=O)NC1CCCC1 409192520 YIIYXROAXARNOL-FLIBITNWSA-N 301.302 2.266 50 40 DEGB CN(C[C@H]1CCN(C(=O)CCl)C1)C(=O)OCc1ccccc1 79411828 ZZFJAQNWPPUFMY-CQSZACIVSA-N 324.808 2.342 50 40 DEGB COc1ccccc1/C=N/NC(=O)CNc1ccc(F)cc1 487144 STRZSSNHAMEJFY-VXLYETTFSA-N 301.321 2.397 50 40 DEGB CCOc1ccc(/C=N/NC(=O)Cn2nc(C)cc2C)cc1 484368 YTLWETMWVMLPKK-LICLKQGHSA-N 300.362 2.049 50 40 DEGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O 14003018 QUFPPUKEYPXASX-RQZCQDPDSA-N 304.733 2.444 50 40 DEGB O=C(NCCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1 45127764 DHRFISGEGJGFDB-UHFFFAOYSA-N 322.368 2.355 50 40 DEGB Cc1cc(C(=O)NNC(=O)c2cccs2)ccc1[N+](=O)[O-] 569213 UCWUMLCMOBNLJT-UHFFFAOYSA-N 305.315 2.040 50 40 DEGB CCCCNC(=O)/C(C#N)=C\Nc1ccccc1C(=O)OC 102673260 DXBNPTLDNFLHBW-QXMHVHEDSA-N 301.346 2.209 50 40 DEGB CC/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccccc1 4603055 RRSZQFSTGCQNDX-NBVRZTHBSA-N 307.357 2.362 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2ccc[nH]2)cc1 5798272 YUPQDFIEAOYPHL-UKTHLTGXSA-N 310.309 2.356 50 40 DEGB C#CCn1cc(/C=N/NC(=O)c2cccnc2)c2ccccc21 6373395 RSFOGNPKPQPCIM-UDWIEESQSA-N 302.337 2.433 50 40 DEGB COc1ccc(C(=O)Cl)cc1N1C[C@@H](C(=O)Cl)CC1=O 100680256 MPOFPTUJCVKQKG-QMMMGPOBSA-N 316.140 2.193 50 40 DEGB Cc1ccc(OCCOc2ccc(/C=N/NC(N)=O)cc2)cc1 4196559 WQMGZEPJJRTQET-XDHOZWIPSA-N 313.357 2.455 50 40 DEGB CC(C)(C)OC(=O)NNC(=O)c1cnn(-c2ccccc2)c1 14238719 ZOCQDDWSCJYMGD-UHFFFAOYSA-N 302.334 2.042 50 40 DEGB N#CC1=C(N)n2ncnc2N[C@H]1c1cccc(Cl)c1Cl 18199157 UORKGBQWVKBPKF-JTQLQIEISA-N 307.144 2.403 50 40 DEGB O=C(CCl)N[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79392617 VLKJLVHKSWJTIM-ZDUSSCGKSA-N 310.781 2.143 50 40 DEGB Cc1ccn2c(C(=O)N/N=C/c3cccc(O)c3)c(C)nc2c1 5387335 JDXGARUWOLMMOV-VCHYOVAHSA-N 308.341 2.421 50 40 DEGB CCOc1ccccc1[C@@H]1NC(=O)NC(CCl)=C1C(=O)OC 57509205 ZOXRYGXZICJDPM-ZDUSSCGKSA-N 324.764 2.105 50 40 DEGB Cc1cc(NC(=O)/N=C(/C(Cl)Cl)N2CCOCC2)no1 159637 LBJGXJGSZRIVAG-GDNBJRDFSA-N 321.164 2.049 50 40 DEGB Cc1ccc(C(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)cn1 85637402 AGZJLPHUKHHPEC-CAPFRKAQSA-N 322.368 2.279 50 40 DEGB CCOC(=O)/C(C)=N/NC(=O)CCc1c[nH]c2ccccc12 3897219 HXYRIYJZXXZELP-WOJGMQOQSA-N 301.346 2.156 50 40 DEGB O=C(N/N=C/c1ccc(F)s1)c1cc(C(F)(F)F)n[nH]1 252508146 XEIPVHPIJBNLPD-SYZQJQIISA-N 306.244 2.393 50 40 DEGB Cc1cccc(/C=N/NC(=O)CCc2ccc3c(c2)OCO3)n1 32408 BERLRTLCJDGYDV-VCHYOVAHSA-N 311.341 2.202 50 40 DEGB COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2)c1O 93751 UOBBPNBLZMDAFJ-HWQJWEFDSA-N 314.341 2.318 50 40 DEGB COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2)ccc1O 492636 OOXAHMQGJFFVEY-HWQJWEFDSA-N 314.341 2.318 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1 2769065 ADBHRXUJEFTQPZ-OQLLNIDSSA-N 302.290 2.018 50 40 DEGB C=CCNC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 2106592 JRRPIBNLDTXMLD-BIGNPOOSSA-N 314.223 2.448 50 40 DEGB COc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1OC 409371341 WDGXSJBHXMYISE-YBFXNURJSA-N 319.405 2.076 50 40 DEGB Cc1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c1O 5943059 BUOGMGHXESYHQF-VGOFMYFVSA-N 305.315 2.434 50 40 DEGB O=C(N/N=C1/CCCc2ccccc21)c1cc(O)c(O)c(O)c1 17032432 NEDDPGFQKBQQLU-AQTBWJFISA-N 312.325 2.274 50 40 DEGB CCOc1ccc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cn1 69513189 QBEVHHVUFROTPN-UHFFFAOYSA-N 324.340 2.036 50 40 DEGB CCOc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1 409383098 RJGGDXNZALKUQO-XDHOZWIPSA-N 303.406 2.458 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1cccc(C)c1 96519131 ZWZDRFOYBWEBQB-WDEREUQCSA-N 307.209 2.184 50 40 DEGB Cc1ccc(O)c(/C=N/NC(=O)COc2ccccc2C#N)c1 1020960 ACQGEXDTWXNRBW-VXLYETTFSA-N 309.325 2.101 50 40 DEGB COc1ccc(C(=O)N/N=C/c2cccc(O)c2)c(OC)c1 8207431 FYFXODKAEOGTOV-LICLKQGHSA-N 300.314 2.173 50 40 DEGB O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1 5603230 PKKMOJTYIVLJRG-YBFXNURJSA-N 315.760 2.107 50 40 DEGB CN(C)/C=C(\C=O)c1nn(-c2ccccc2)c(Cl)c1C=O 162154 USAGZKDKGKAMOR-DHZHZOJOSA-N 303.749 2.440 50 40 DEGB CC[C@@H](C)N(NC(C)=O)c1nc(Cl)nc(NC(C)(C)C)n1 27646 IRFSLIGJLXYMNT-MRVPVSSYSA-N 314.821 2.391 50 40 DEGB CCOC(=O)[C@@H](Br)C1CN(C(=O)OC(C)(C)C)C1 953019006 DKEWRGSGGCJIJI-VIFPVBQESA-N 322.199 2.180 50 40 DEGB CCc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1 13922935 GLMZKYPIHROKJC-DEDYPNTBSA-N 309.369 2.016 50 40 DEGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(C)c(Cl)c1 2742024 WAWRYSUSRVIGBD-GHXNOFRVSA-N 301.733 2.441 50 40 DEGB N#C/C(=C/c1cc(Br)c(N2CCCCC2)o1)C(N)=O 408863165 PVFZGRQCNWFBFI-TWGQIWQCSA-N 324.178 2.425 50 40 DEGB OC[C@@H](I)CC(F)(F)C(F)(F)F 72265671 HIYFWRNMQLCCPO-VKHMYHEASA-N 303.996 2.370 50 40 DEGB COc1cc(/C=N/NC(N)=O)ccc1OCc1ccccc1F 566092 LWAWSFZCTZJYRG-DJKKODMXSA-N 317.320 2.416 50 40 DEGB C/C(=C\C(=O)C(C)(C)C)NNC(=O)c1ccc([N+](=O)[O-])cc1 101673807 QPENYGUAWIVLDD-MDZDMXLPSA-N 305.334 2.348 50 40 DEGB O=C(NNC(=O)C1CCCCC1)c1cc(Br)c[nH]1 8122807 ITDLSAXPZPNZQI-UHFFFAOYSA-N 314.183 2.119 50 40 DEGB Cc1cc(N)nc(NNC(=O)Cc2cccc3ccccc23)n1 225559743 LBTYTOWHUBCVAY-UHFFFAOYSA-N 307.357 2.206 50 40 DEGB O=C1CCN(C(=O)OCc2ccccc2)C[C@@H]1Br 44154621 HIJNDCHNTWYMKT-NSHDSACASA-N 312.163 2.362 50 40 DEGB C=CCc1cc(/C=N/NC(=O)c2ccco2)cc(OC)c1O 8108980 LWEGPLHUZSYJOU-LICLKQGHSA-N 300.314 2.486 50 40 DEGB Cc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1 408752090 FJMAVEPVAQBRHB-MOSHPQCFSA-N 309.369 2.152 50 40 DEGB C/C(=N\NC(=O)CNC1CCCCC1)c1cccc([N+](=O)[O-])c1 409377005 DYAZRANCULXMQW-LDADJPATSA-N 318.377 2.357 50 40 DEGB COc1cccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)c1 581931 VAWIFQOYAZDKKQ-WOJGMQOQSA-N 311.341 2.418 50 40 DEGB CCOC(=O)C1=C(C)NC(N)=C(C#N)[C@@H]1c1ccccc1F 3962220 MOVYRWQDILIKCR-AWEZNQCLSA-N 301.321 2.043 50 40 DEGB CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)OC(=O)[C@@H]12 408870287 VUFOLWXCKJIJLE-ZEVUXNIQSA-N 318.328 2.336 50 40 DEGB COc1ccc(OCC(=O)N/N=C/c2cccc(F)c2)cc1 3266649 ATFOLYLSGQKRRQ-VCHYOVAHSA-N 302.305 2.363 50 40 DEGB N#CC(C(=O)COC(=O)c1ccco1)=C1Nc2ccccc2N1 2658595 CRXFCEZQISICAC-UHFFFAOYSA-N 309.281 2.278 50 40 DEGB CCOc1ccccc1OCC(=O)N/N=C(\C)c1ccccn1 5504731 UWPVMWNVLFGBDP-CPNJWEJPSA-N 313.357 2.400 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)c(OC)c1 548722 NPWUYRAYPRHVQH-AWQFTUOYSA-N 324.340 2.344 50 40 DEGB Cc1nn(-c2ccccn2)c2c1C(=O)[C@@H](Br)CC2 1423952 ZMLQJFAUSITVCF-VIFPVBQESA-N 306.163 2.468 50 40 DEGB CCCC(CCC)=NNC(=O)C(=O)NCc1ccc(OC)cc1 59433847 XSGPVGGFYFCKQG-UHFFFAOYSA-N 319.405 2.384 50 40 DEGB COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)ccc1O 59382710 PFYWCAGUHRBQEA-YCPFAOKUSA-N 314.341 2.239 50 40 DEGB O=C(CSc1ccccn1)NNC(=S)Nc1ccccc1 1102144 UNICNOYURDCKBZ-UHFFFAOYSA-N 318.427 2.192 50 40 DEGB C/C(=N/NC(=O)CCn1nnc2ccccc21)c1ccccc1 4756335 FRLDHZRPNJGICL-AQTBWJFISA-N 307.357 2.362 50 40 DEGB CCn1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1 253402795 OTGAIOZVZDNXOT-AWEZNQCLSA-N 312.373 2.354 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc3nccnc3c2)cc1 12946066 HVWLUBCNLZOTFL-RGVLZGJSSA-N 306.325 2.402 50 40 DEGB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NNC(=O)C1CC1 14800573 MDMWFTQQSMVFAH-UHFFFAOYSA-N 318.764 2.005 50 40 DEGB CCOC(=O)NNC(=S)Nc1ccc(OC(F)F)cc1 3273824 JFSJWYHKXFCDTJ-UHFFFAOYSA-N 305.306 2.236 50 40 DEGB Cc1ccc2[nH]c(C(=O)NNC(=O)Cc3ccccc3)cc2c1 4702671 YLPORTXWZYSCON-UHFFFAOYSA-N 307.353 2.480 50 40 DEGB O=C(NNc1ncnc2[nH]cnc12)c1ccc(Cl)c(Cl)c1 16758315 UYPOECCVLRBDFR-UHFFFAOYSA-N 323.143 2.417 50 40 DEGB Cc1cccc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1 223251 AIMHLVMHEHOXEE-LZYBPNLTSA-N 302.290 2.058 50 40 DEGB Cc1nc(Cc2ccc(Cl)c(Cl)c2)ncc1C(=O)NN 78404190 UMFJUHVZNZAMAW-UHFFFAOYSA-N 311.172 2.286 50 40 DEGB COc1ccc(/C(C)=N\NC(=O)c2cccnc2)cc1[N+](=O)[O-] 4108804 UPQLHKHTMNHKDV-YVLHZVERSA-N 314.301 2.152 50 40 DEGB C/C(=N\NC(=O)CSc1ncccn1)c1ccc(F)cc1 5124203 BUOMLIPHBJLPFF-VCHYOVAHSA-N 304.350 2.248 50 40 DEGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)C1CCCCC1 13426487 FGXAWIBQJUYXHW-XDHOZWIPSA-N 302.378 2.483 50 40 DEGB C[C@H](I)CNc1ccc(C(=O)O)c(O)c1 1749377 QDBYIJXSVIQGAR-LURJTMIESA-N 321.114 2.326 50 40 DEGB COc1ccc(NC(=O)C(=O)NN=C2CCCC2)cc1Cl 8209191 GQMWRPSJNJZFMA-UHFFFAOYSA-N 309.753 2.333 50 40 DEGB Cc1ccc(OCCC(=O)NNC(=O)c2cc(C)oc2C)cc1 3559918 KYLHYLHCVQGDDM-UHFFFAOYSA-N 316.357 2.435 50 40 DEGB O=C(COc1cccc2cccnc12)N/N=C/c1ccccc1O 494448 OMPZIQNGOMQUSO-RGVLZGJSSA-N 321.336 2.470 50 40 DEGB C/C(CC(=O)NC1CCCCC1)=N\NC(=O)c1ccccn1 100530219 NNHOXDDQALNHRY-XDHOZWIPSA-N 302.378 2.026 50 40 DEGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2ccncc2)cc1 59459611 RFAWDOZZQMGZMB-YBFXNURJSA-N 310.357 2.294 50 40 DEGB Cc1c(/C=N/NC(=O)c2c[nH]c3ccccc23)cc(C#N)n1C 44867373 ZTWSSMSXWAZIDD-AWQFTUOYSA-N 305.341 2.450 50 40 DEGB O=[N+]([O-])c1cc([N+](=O)[O-])c(CBr)c([N+](=O)[O-])c1 68568747 XLOWWYUYNQRCOB-UHFFFAOYSA-N 306.028 2.306 50 40 DEGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cccs1 7003216 QHWDYQHPNMLYDK-MHWRWJLKSA-N 302.355 2.212 50 40 DEGB COc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)cc1 5685669 UUBIMJAWAPPABZ-LICLKQGHSA-N 300.314 2.260 50 40 DEGB biogenic O=C(O)COc1ccccc1/C=N\NC(=O)c1ccc(F)cc1 12488336 VEHJAWWDCMVFFW-NVMNQCDNSA-N 316.288 2.053 50 40 DEGB O=C(N/N=C/C=C/c1ccccc1)NNC(=O)c1ccccc1 1598015 UPAMJTZMCKWTTO-CVUDBVLYSA-N 308.341 2.330 50 40 DEGB COc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 2628380 UKFTZVPPENWNHV-UHFFFAOYSA-N 323.352 2.180 50 40 DEGB N#CC1=C(Br)N=C(c2ccccc2)[C@H](C#N)[C@H]1N 78549788 YYYHKCSPQSDZGH-MWLCHTKSSA-N 301.147 2.086 50 40 DEGB Cc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)o1 12436556 OCWYQDBFUWVCKT-CCOVPTLTSA-N 311.341 2.091 50 40 DEGB CCCCNC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1 33575882 UTOXNTBWPKQLGF-SSZFMOIBSA-N 313.401 2.346 50 40 DEGB CN(C)/C=N/C(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl 3050181 KTVPLEYGNXTEBY-UBKPWBPPSA-N 323.706 2.405 50 40 DEGB O=C(NNC(=S)NCc1ccccc1)NC1CCCCC1 3274875 LVAITXFVBBPJLE-UHFFFAOYSA-N 306.435 2.198 50 40 DEGB Cc1c(C(=O)N/N=C/c2cccs2)sc2ncnc(N)c12 408973657 NQHSSVGPXSRTAR-YAXRCOADSA-N 317.399 2.407 50 40 DEGB O=C(CNC(=O)c1ccccc1)N/N=C/c1c[nH]c2ccccc12 1754376 SVENUOUXABPNFW-SRZZPIQSSA-N 320.352 2.048 50 40 DEGB CCOC(=O)c1c(C)oc(NC(=O)CCl)c1C(=O)OCC 3346477 YABPNDAGHIZIPX-UHFFFAOYSA-N 317.725 2.119 50 40 DEGB O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1ccco1 13496872 OPEFQGZBTOLDLE-UHFFFAOYSA-N 320.312 2.165 50 40 DEGB CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1 7519700 BCXMEOWBAWTWTR-UHFFFAOYSA-N 322.386 2.200 50 40 DEGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(O)cc1 342450 WXWLFURGGYIFOQ-WOJGMQOQSA-N 314.341 2.320 50 40 DEGB O=C(N/N=C\c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O 58900445 VQCDDLHMDTVKJP-PXNMLYILSA-N 303.249 2.203 50 40 DEGB CCCCNC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 3155937 XIJZZTXBXVRVJY-CAOOACKPSA-N 316.188 2.360 50 40 DEGB C[C@]12C(=O)OC(=O)[C@@]1(O)C1c3ccccc3C2c2ccccc21 104336761 MWLJTSUZZPZBPF-BURPLHJFSA-N 306.317 2.098 50 40 DEGB CC(C)CNC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 59474728 UOLSXUAKSSFQKT-REZTVBANSA-N 316.188 2.216 50 40 DEGB NS(=O)(=O)c1ccc(NC(=O)[C@H](Cl)c2ccccc2)cc1 13945896 JTMKMDPOBFHJHC-CYBMUJFWSA-N 324.789 2.253 50 40 DEGB CCN1C(=O)/C(=N\NC(=O)c2ccc(F)cc2)c2ccccc21 6497189 QIKYYWYPPMYYHC-CYVLTUHYSA-N 311.316 2.326 50 40 DEGB O=C(CCl)NC[C@H]1CCCN1C(=O)OCc1ccccc1 79392610 IEOMKOYXRKLBCL-CYBMUJFWSA-N 310.781 2.143 50 40 DEGB O=C(NNC(=O)c1cc2ccccc2o1)c1ccc2c(c1)OCO2 8273095 ZBRZNOOYTOZMCS-UHFFFAOYSA-N 324.292 2.236 50 40 DEGB COc1ccccc1/C=N/NC(=O)c1c(C)nc2ccccn12 3060522 BPDJOZJEXULACH-WOJGMQOQSA-N 308.341 2.415 50 40 DEGB CO[C@@H](C(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1 5356553 XCGYTZXWNDWOMM-VHWUNXFSSA-N 312.325 2.253 50 40 DEGB C=CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccnc1 20436277 SONXJDAPQFUAHE-CQSZACIVSA-N 313.382 2.437 50 40 DEGB NNC(=O)CSc1cc(C(F)(F)F)nc2ccccc12 161373 ZBBRUAHELAGQKV-UHFFFAOYSA-N 301.293 2.336 50 40 DEGB Cc1cc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cs1 102596868 YNXYZIQZCNXHFF-NHCYSSNCSA-N 309.460 2.354 50 40 DEGB CN1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(-c3ccccc3)c12 6420403 PGDSODGBFAJGBV-UHFFFAOYSA-N 321.384 2.126 50 40 DEGB CC(C)(C)C(=O)NNC(=O)COc1ccc2ccccc2c1 8556074 CVOAVYJDIMQJKZ-UHFFFAOYSA-N 300.358 2.412 50 40 DEGB CCS(=O)(=O)[C@H](Br)[C@H](O)c1ccccc1C 96519120 QEJIFSDZZLYRNS-MNOVXSKESA-N 307.209 2.184 50 40 DEGB O=C(N/N=C/c1ccncc1)c1cncc(Br)c1 257446 CIGRRILERNKISL-OMCISZLKSA-N 305.135 2.003 50 40 DEGB O=C(C=C(C1CC1)C1CC1)NNC(=O)c1cccc([N+](=O)[O-])c1 54847640 ZEFIZJBLGDFMKX-UHFFFAOYSA-N 315.329 2.102 50 40 DEGB C[C@@H](NC(=O)NNC(=O)Cc1ccc(F)cc1)c1ccccc1 10208335 DVDFHJFPZMRYSQ-GFCCVEGCSA-N 315.348 2.460 50 40 DEGB O=C(CCn1c(=O)oc2ccccc21)N/N=C\c1ccccc1 33312424 KKBKEISTEOWMCG-PDGQHHTCSA-N 309.325 2.135 50 40 DEGB N[C](Cc1ccc([N+]([O-])(CCCl)CCCl)cc1)C(=O)O 1560411728 IISLZHYPVYXSNC-UHFFFAOYSA-N 320.196 2.087 50 40 DEGB O=C(CCc1ccccc1O)NNc1ccccc1[N+](=O)[O-] 42064782 PEMIFHXIVIYSBG-UHFFFAOYSA-N 301.302 2.376 50 40 DEGB O=C(N/N=C/c1ccccc1)c1ccc(CN2CCOCC2)cc1 23358569 NYFWJXAUBXCUKT-XSFVSMFZSA-N 323.396 2.283 50 40 DEGB CCOc1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1 5272343 VEFZMRZVQKSODG-UHFFFAOYSA-N 302.330 2.370 50 40 DEGB CCOC(=O)C1(CBr)CCC2(CC1)OCCO2 2559262 NIOZIGDAXFKNBK-UHFFFAOYSA-N 307.184 2.248 50 40 DEGB COc1ccccc1NC(=O)C(=O)NN=C1CCCCCC1 5515148 FWCNGIYGTPHXFZ-UHFFFAOYSA-N 303.362 2.460 50 40 DEGB CCOC(=O)/C(C#N)=C1\C(=O)Nc2ccc(Br)cc21 12340149 CDLPXDJPAROXNX-LUAWRHEFSA-N 321.130 2.241 50 40 DEGB Cc1ccc(C(=O)N/N=c2\oc3ccccc3cc2C(N)=O)cc1 193242 VUAXRVTZOKEZBY-UZYVYHOESA-N 321.336 2.086 50 40 DEGB C=CCc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)c1O 18148698 ZMCXCXPNBWOJBL-VCHYOVAHSA-N 310.357 2.096 50 40 DEGB Cc1noc(C)c1C(=O)NNC(=O)c1oc2ccccc2c1C 9365557 ICLKSBLDGNKFQN-UHFFFAOYSA-N 313.313 2.421 50 40 DEGB N#C/C(=C\c1cccc(OCc2ccccc2C(=O)O)c1)C(N)=O 96298413 YMWLRTQSDNNLSE-RIYZIHGNSA-N 322.320 2.356 50 40 DEGB COCCOC(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1 34944114 QTUZPBNXYOQDSR-POHAHGRESA-N 310.693 2.345 50 40 DEGB Cc1c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cnn1C 84771 DYMCOWRZIPYAPA-GIDUJCDVSA-N 321.724 2.054 50 40 DEGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(O)cc2O)c1 3035343 PNULBBWXSCYGSF-GIJQJNRQSA-N 314.341 2.244 50 40 DEGB C/C(CC(=O)NCC(C)C)=N\NC(=O)COc1ccccc1C 4416356 ABBQMXZGCVHDQH-XMHGGMMESA-N 319.405 2.028 50 40 DEGB Cc1cccc(OCCC(=O)NNC(=O)c2ccoc2C)c1 3444708 LJXMHDRAHNJYTO-UHFFFAOYSA-N 302.330 2.127 50 40 DEGB CC1=Nc2ccccc2[C@@H](c2ccc(C)cc2)N1CC(=O)NN 97165233 DZQVVGPXGHYBGY-GOSISDBHSA-N 308.385 2.440 50 40 DEGB O=C(N/N=C/c1cccn1-c1ccc(O)cc1)c1cccnc1 409018121 RLHOKVTXLWQBMS-XDHOZWIPSA-N 306.325 2.342 50 40 DEGB CNC(=O)/C(C#N)=C1/S[C@H](C)C(=O)N1c1ccc(Cl)cc1 5573585 WGIIRABJRGDZPK-RDQYORKRSA-N 321.789 2.289 50 40 DEGB COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCC#N 3537225 KRLJXLJBTSSXSG-DEDYPNTBSA-N 323.352 2.290 50 40 DEGB O=C(NNC(=S)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 112616 BHPFDKFQSBZJIL-UHFFFAOYSA-N 316.342 2.226 50 40 DEGB COc1ccc(NC(=S)NNC(=O)c2ccc(O)cc2)cc1 6569412 OXZOFECWSANMKD-UHFFFAOYSA-N 317.370 2.032 50 40 DEGB CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C(/C)c1ccc(Cl)cc1 100686738 HVQZDETXEIIANU-ZLYHGVDXSA-N 320.780 2.082 50 40 DEGB CC(=O)N/N=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1 409014514 PZBZAIXKUBXBPZ-VCHYOVAHSA-N 312.325 2.434 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1 136303 BPYPBHFCFPWUDT-WOJGMQOQSA-N 311.341 2.418 50 40 DEGB Cc1ccc(C(=O)N/N=C2\C(=O)N(C)c3ccc(C)cc32)cc1 58417 LTPMHJMVDVQCNG-MNDPQUGUSA-N 307.353 2.414 50 40 DEGB O=[N+]([O-])[C@H](Br)[C@H](c1ccccc1)N1CCOCC1 1675768 ILBXLZWSYARKRZ-RYUDHWBXSA-N 315.167 2.058 50 40 DEGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccccc1 59433930 DAIVCJFKKWORJF-WOJGMQOQSA-N 311.341 2.092 50 40 DEGB CN(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)CCl)C1 79411838 BWUSTUACADGPNR-AWEZNQCLSA-N 324.808 2.485 50 40 DEGB COc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1OC 3343322 QOQRQTQTLBYPOC-LICLKQGHSA-N 300.314 2.173 50 40 DEGB O=C1N[C@@]2(C=C[C@@H](Br)CC2)C(=O)C12CCCCC2 1722989 DJWNQNIHQSUQBB-QMTHXVAHSA-N 312.207 2.488 50 40 DEGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1C 108023468 GNCYUGLMDSVEIR-YVLHZVERSA-N 314.345 2.243 50 40 DEGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 155992 RGQSACIQFYMAJQ-LICLKQGHSA-N 323.312 2.315 50 40 DEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@H]2C1 35896982 XSXJDVWVGUKTNT-GJZGRUSLSA-N 321.409 2.103 50 40 DEGB COc1cccc(C(=O)NNC(=O)C2CCCCC2)c1OC 496834 ATYAOUBRNQAZLT-UHFFFAOYSA-N 306.362 2.045 50 40 DEGB O=C(NNC(=S)Nc1ccccc1Cl)c1ccncc1 6513758 MXFONTFHKAEUCU-UHFFFAOYSA-N 306.778 2.366 50 40 DEGB O=C(N/N=C\C1CCCCC1)C(=O)N/N=C/C1CCCCC1 17024038 HULJRIHJZXXANM-MJZABRMRSA-N 306.410 2.351 50 40 DEGB CCNC(=S)NNC(=O)CSc1ccc2ccccc2c1 6447391 KHCBGBQPRGALHM-UHFFFAOYSA-N 319.455 2.447 50 40 DEGB O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 61835 CDYLHGZUHSUNMU-UHFFFAOYSA-N 319.704 2.323 50 40 DEGB N#C/C(C(=O)NCCc1ccccc1)=C1/C(=O)Nc2ccccc21 61718750 PMIJRGPBLQAICS-ICFOKQHNSA-N 317.348 2.275 50 40 DEGB C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)o1 9366421 BJVYXNQGGJJODF-FGVMVUQBSA-N 310.361 2.300 50 40 DEGB O=C(CNc1ccccc1)N/N=C1/C(O)=Nc2ccc(F)cc21 7009234 ZEXCSAXEORQAGZ-UHFFFAOYSA-N 312.304 2.360 50 40 DEGB C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)o1 9366422 BJVYXNQGGJJODF-MJIIUSOBSA-N 310.361 2.300 50 40 DEGB CCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1 4673313 RHJVAPHCQFXDGJ-KPKJPENVSA-N 304.346 2.146 50 40 DEGB N#CC(C#N)=CN1CCN(C(=O)CCCl)c2ccccc21 4823780 MKHINRCTKYILSH-UHFFFAOYSA-N 300.749 2.400 50 40 DEGB CCOc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 10475773 RZYVZRWFLFMVNK-MHWRWJLKSA-N 317.301 2.279 50 40 DEGB Cc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 409368405 UHQKADHEEAIQLX-ZXMBATIKSA-N 313.313 2.087 50 40 DEGB CN(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)CCl)C1 79411802 DITIMGLCOKDDIL-ZDUSSCGKSA-N 310.781 2.095 50 40 DEGB O=C(CCCC[C@H]1CCSS1)N[C@H]1CCS(=O)(=O)C1 42000019 SVXIPOHPBHYLCM-QWRGUYRKSA-N 323.505 2.004 50 40 DEGB ClC(I)I 97978601 RYPFDEIVUZVDCE-UHFFFAOYSA-N 302.280 2.379 50 40 DEGB in-vitro CC[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(Cl)cc2)C1 30142393 IOUKEVNELIRCBY-GFCCVEGCSA-N 323.824 2.223 50 40 DEGB NNC(=O)CCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 1618379 YBAAWIBFRQGHOO-UHFFFAOYSA-N 310.568 2.355 50 40 DEGB CN1CCO[C@H](C(=O)NN(c2ccccc2)c2ccccc2)C1 81244946 ZFVMOBGMFPMUPK-KRWDZBQOSA-N 311.385 2.187 50 40 DEGB O=S(=O)(NCCCl)c1ccc(Br)s1 19783076 SBMQODXPAZVHQR-UHFFFAOYSA-N 304.618 2.028 50 40 DEGB CC(=O)n1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 236151 RNSBUXQXCSIXJZ-VXLYETTFSA-N 306.325 2.460 50 40 DEGB COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)C(C)C 4381057 IALKYENIKPSGQF-LDADJPATSA-N 305.378 2.480 50 40 DEGB N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccco1 20086715 WJNJJYKNBMNODL-ZDUSSCGKSA-N 318.288 2.421 50 40 DEGB COc1cc(C=C(C#N)C#N)ccc1OCC(=O)N1CCCC1 32751846 MQWPKVNINSKPJB-UHFFFAOYSA-N 311.341 2.127 50 40 DEGB COc1ccc(-c2ccc(C(=O)NN)o2)c(Br)c1 57353748 GBDOJSMKYGOTLJ-UHFFFAOYSA-N 311.135 2.321 50 40 DEGB COc1cccc(NC(=O)C(=O)N/N=C/c2sccc2C)c1 59435554 SWTNDUNDECLECW-CXUHLZMHSA-N 317.370 2.154 50 40 DEGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1cccnc1 408881329 IVAVRYCUDHRASB-QGMBQPNBSA-N 313.382 2.340 50 40 DEGB O=C(NNC(=S)Nc1ccc(F)cc1)c1ccc(O)cc1 258833 ZNRZSCHTHNPAEM-UHFFFAOYSA-N 305.334 2.163 50 40 DEGB O=C(Cl)c1ccc(CN2C[C@H](C(=O)Cl)CC2=O)cc1 100680369 SNHVRZLBNAVYJL-SNVBAGLBSA-N 300.141 2.180 50 40 DEGB C[C@]12C(=O)N(CCCl)C(=O)N1CCc1c2[nH]c2ccccc12 4073346 DCRUXFCEVAGTIL-INIZCTEOSA-N 317.776 2.442 50 40 DEGB biogenic CCC[C@H]1[C@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 19853054 YJFXFXGJPWCQFN-HOTGVXAUSA-N 309.417 2.453 50 40 DEGB O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1 408973687 OPZPNIKHAOUDDT-XNHPLOEXSA-N 321.380 2.153 50 40 DEGB N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C\c1ccccc1Cl 5461850 PJJNFBSEUJKYHV-SMLKNPDNSA-N 317.776 2.066 50 40 DEGB N#CC1=C(S)NC(=O)[C@H]([n+]2ccccc2)[C@@H]1c1cccs1 56634887 YPMFMKZDYHXALK-QWHCGFSZSA-O 314.415 2.155 50 40 DEGB O=C(N/N=C/c1ccccc1O)/C(=C/c1ccccc1)CCO 4836965 VAKTYADCYHVMJR-CAOIWOLBSA-N 310.353 2.308 50 40 DEGB N#C/C(=C1/CCCN1)S(=O)(=O)c1ccc(Cl)cc1F 98212082 ITJFESNUGRHBLI-ZRDIBKRKSA-N 300.742 2.371 50 40 DEGB C[C@](F)(Br)C(=O)OC(=O)[C@@](C)(F)Br 885164237 XRYRHZIWGDLFSB-PHDIDXHHSA-N 323.915 2.217 50 40 DEGB COc1cccc(C(=O)N/N=C(\C#N)c2cccc(OC)c2)c1 1581907 CTPLSEGABPQWSL-KNTRCKAVSA-N 309.325 2.361 50 40 DEGB Cc1ccccc1C(=O)NNC(=O)[C@@]1(C)CC1(Cl)Cl 44867128 CYEQHMVEJCIPSJ-GFCCVEGCSA-N 301.173 2.340 50 40 DEGB Cc1cc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)[nH]n1 18122405 WECUSOAIBKPANK-PJQLUOCWSA-N 313.144 2.494 50 40 DEGB COc1ccc(N[C@H](C)C(=O)N/N=C/c2ccccc2O)cc1 234905 PUJBGQWZGJAOKU-MBNTZHJCSA-N 313.357 2.352 50 40 DEGB CCOC(=O)[C@H]1CCC/C1=N\NC(=O)c1ccc(OC)cc1 5332816 RTCQZYQDEZTIQO-CQQXOOPHSA-N 304.346 2.144 50 40 DEGB N#CC1=C(N)Oc2[nH]c(C(F)(F)F)nc2[C@H]1c1cccnc1 6188145 CAPLUWBVUSZYAH-QMMMGPOBSA-N 307.235 2.042 50 40 DEGB CC(C)Oc1cccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c1 96032821 KVGAMEQFAUMQLB-MDWZMJQESA-N 324.388 2.371 50 40 DEGB CCCCCCCCC(=O)NNC(=S)NC[C@H]1CCCO1 97941818 VYQJJSAITXSTAV-CYBMUJFWSA-N 315.483 2.411 50 40 DEGB Cn1cccc1C(=O)NNC(=O)C1(c2ccc(F)cc2)CCC1 97076148 DMRPWKPUTJGZGC-UHFFFAOYSA-N 315.348 2.047 50 40 DEGB CCS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc(F)cc1 96519110 UMAWIFMGGDUBJI-UWVGGRQHSA-N 311.172 2.015 50 40 DEGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccncc1 58727 PMCUEZJDOCCWDI-LZYBPNLTSA-N 304.693 2.407 50 40 DEGB O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1ccon1 67286924 ZPDLAOJPWAYGEI-UHFFFAOYSA-N 319.386 2.470 50 40 DEGB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNC(=O)c1ccco1 24923465 QGWJFGNZZVDZMX-SNVBAGLBSA-N 322.748 2.470 50 40 DEGB CS(=O)(=O)[C@H](Br)[C@@H](O)c1cccc(Cl)c1 96518998 PCLKHLNKUDAQCH-IUCAKERBSA-N 313.600 2.139 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1 219097 XBBNVDBSHLJKJC-RIYZIHGNSA-N 305.315 2.429 50 40 DEGB O=C(N/N=C1/CC(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 105807599 KHCNLALVSGAQPA-VKAVYKQESA-N 309.281 2.315 50 40 DEGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(N)=O)o2)c1 408996572 IWHZNGNVPDQGEI-IDUWFGFVSA-N 321.720 2.389 50 40 DEGB C/C(=N/NC(=O)CSc1nc(C)cc(C)n1)c1ccccn1 48252788 KAQHIYMWUXXNIQ-UNOMPAQXSA-N 315.402 2.121 50 40 DEGB NC(=O)Nc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 206988687 ZCQYWWBCOJUSSR-UHFFFAOYSA-N 301.258 2.305 50 40 DEGB Cn1cc(Cl)cc1C(=O)NNC(=O)c1cc2ccccc2o1 12394069 GOJDJFIHPMKHKT-UHFFFAOYSA-N 317.732 2.500 50 40 DEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(F)cc1 3148469 HEYSXACXAHOSIE-YBFXNURJSA-N 313.332 2.477 50 40 DEGB CCOC(=O)NNC(=O)c1cnn(-c2ccc(C)cc2)c1CC 32795752 BPGNXODNLXMGJT-UHFFFAOYSA-N 316.361 2.134 50 40 DEGB Cc1ccc(-c2ccc(/C=N/NC(=O)CC#N)o2)cc1C(=O)O 59104198 MCJQBPLFLMTCOT-GIJQJNRQSA-N 311.297 2.317 50 40 DEGB CC[C@H]1S/C(=C(\C#N)C(=O)NC)N(c2ccc(C)cc2)C1=O 23641413 UASQXSPUNMVPEO-MLDYKZIASA-N 315.398 2.335 50 40 DEGB Cc1ccccc1OCC(=O)NNC(=O)CCc1ccccc1 4691582 NOTATIYWURLXDO-UHFFFAOYSA-N 312.369 2.154 50 40 DEGB CC(C)c1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1 4699051 PMHFQFULDKBZBZ-LDADJPATSA-N 301.390 2.273 50 40 DEGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1O 13302964 URLFHJOBBUULOA-SXGWCWSVSA-N 315.285 2.160 50 40 DEGB O=C(CCCCl)NC(=S)Nc1ccccc1C(=O)O 6615587 NMESXFCJIPCQEO-UHFFFAOYSA-N 300.767 2.217 50 40 DEGB Cn1ccnc1SCC(=O)C(C#N)=C1Nc2ccccc2N1 6694483 XSHMKSOKOZKQFG-UHFFFAOYSA-N 311.370 2.354 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2 104449348 KKLRNGCLBBUGOB-IHHQEMEHSA-N 318.398 2.355 50 40 DEGB CN(C)c1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1 2641442 JQVIETFYEMMDMV-UHFFFAOYSA-N 317.776 2.481 50 40 DEGB CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)C(C#N)=C(N)O1 4183422 WXELVNOHZYMYIG-ZDUSSCGKSA-N 302.305 2.470 50 40 DEGB CC1(C)O[C@@H]2C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2O1 196245608 VBPYRQYBEKHPKA-VWYCJHECSA-N 302.443 2.454 50 40 DEGB O=C(N/N=C/c1ccccn1)c1cccc(Cn2cccn2)c1 5731783 UQRLHWNZTFTRQW-XDHOZWIPSA-N 305.341 2.090 50 40 DEGB C/C(=N\NC(=O)C(=O)Nc1cccc(F)c1)c1ccc(F)cc1 15930566 CFSCWWXIHXUWOE-KEBDBYFISA-N 317.295 2.444 50 40 DEGB CCOC(=O)/C(=C(\C)Nc1ccc(F)cc1)[C@@H]1CC(=O)OC1=O 100207011 FHZCADKNJGJBLH-IGVUGNCQSA-N 321.304 2.164 50 40 DEGB O=C(CSc1ccccc1)NNC(=O)c1ccccc1F 3413083 YUEIFRGMINFHQJ-UHFFFAOYSA-N 304.346 2.379 50 40 DEGB CC(=O)O[C@@H]1C[C@H](C(C)(C)O)O[C@@H]2CCC(C)=C(C=O)[C@]12C 252516145 QHQQEOALGKVLKJ-ANQUJSFKSA-N 310.390 2.162 50 40 DEGB biogenic,in-vitro CCOC(=O)[C@@H](C)Sc1nnc(NC(=O)CCCl)s1 2451444 LHVCNIGKDBTDAB-ZCFIWIBFSA-N 323.827 2.149 50 40 DEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cnc2ccccc2n1 2802017 IZTOVDVELVGQGP-GIJQJNRQSA-N 321.296 2.302 50 40 DEGB COc1ccc(/C=N/NC(=O)CNc2ccccc2F)cc1O 3288096 UMVOSCQWBUIRKR-DJKKODMXSA-N 317.320 2.102 50 40 DEGB CCNC(NCC)=C(C#N)c1nc(O)c2ccc(Cl)cc2n1 97103267 MLNQBDPJLATXET-UHFFFAOYSA-N 317.780 2.400 50 40 DEGB CCn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cn1 253400594 LKJCYHBLJCAPBD-CQSZACIVSA-N 312.373 2.354 50 40 DEGB N#C/C(=C\c1ccc(Oc2nc(Cl)ncc2F)cc1)C(N)=O 23382563 AIGFXBOXYUWDPD-WEVVVXLNSA-N 318.695 2.454 50 40 DEGB CCOc1ccc(/C(C)=N/NC(=O)CC2(C)OCCO2)cc1 408718753 FKENGKPDODBZAP-SFQUDFHCSA-N 306.362 2.079 50 40 DEGB C/C(CC(=O)NC(C)(C)C)=N\NC(=O)c1cccc(C)c1O 4289821 CGLTVIDJYAQAII-WOJGMQOQSA-N 305.378 2.111 50 40 DEGB CC[C@H](C)C(=O)NNC(=O)C1(c2cccc(F)c2)CCOCC1 71922062 UJXLVHWUVGUAQV-LBPRGKRZSA-N 322.380 2.067 50 40 DEGB COc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 587297 LRVCNXAOFGZEGA-GZTJUZNOSA-N 313.313 2.296 50 40 DEGB COc1ccc(Cl)cc1/C=C\C=N\NC(=O)C[N+](C)(C)C 16920214 NBHLLEFGSVMVQE-DHBGYSJJSA-O 310.805 2.170 50 40 DEGB CN(Cc1ccsc1)C(=O)NNC(=O)c1ccc(F)cc1 32795249 CGAXCHCPOVKRTB-UHFFFAOYSA-N 307.350 2.374 50 40 DEGB Cc1csc(SCC(=O)NNC(=O)c2ccccc2)n1 3413641 XTTHZVNQVLXCCD-UHFFFAOYSA-N 307.400 2.005 50 40 DEGB COc1ccc(O)c(/C=N/NC(=O)c2ccccc2OC)c1 59417865 QEKYUBIQZNDHKD-LICLKQGHSA-N 300.314 2.173 50 40 DEGB COc1cc(/C=N/NC(=O)c2ccccn2)ccc1OC(F)F 7893335 SECMTBOKXUJAQD-DJKKODMXSA-N 321.283 2.456 50 40 DEGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN1CCOCC1 408828895 JWISRQMUWJUNIP-XDJHFCHBSA-N 317.433 2.179 50 40 DEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1C 3072733 YGLZHDFQVVZMIR-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB CC[C@H](C)N(NC(C)=O)c1nc(Cl)nc(NC(C)C)n1 495049 JRFDUUAPPMQAOB-QMMMGPOBSA-N 300.794 2.001 50 40 DEGB COc1ccc(OC)c(/C=N/NC(=O)CNc2ccccc2)c1 59419186 VUTAEKBHGWGMMO-YBFXNURJSA-N 313.357 2.266 50 40 DEGB CCCOc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 408862315 GTFLBYNLWAZBMQ-SFQUDFHCSA-N 306.362 2.079 50 40 DEGB COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1 290010 BSSJCUIMZZZKNL-UHFFFAOYSA-N 318.760 2.352 50 40 DEGB CC(C)c1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1 59516136 MFVWKURUDRBYIV-YBFXNURJSA-N 310.357 2.294 50 40 DEGB Cc1ccc(C(=O)NNC(=O)c2cnc3ccccc3n2)cc1 8983042 CIWBNYMNZUVFOK-UHFFFAOYSA-N 306.325 2.013 50 40 DEGB COC(=O)[C@@H]1C(=O)NC(S)=C(C#N)[C@@H]1c1ccccc1Cl 278634 NHZCPNMTDJFYKY-QWRGUYRKSA-N 322.773 2.008 50 40 DEGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccco1 521368 DNJCZFXRWZJFEX-LLVKDONJSA-N 308.721 2.143 50 40 DEGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CC)c(OC)c1 1786067 ONUXVQWQOBBJAB-UKTHLTGXSA-N 314.341 2.220 50 40 DEGB CN(C)C(=O)CCc1cccc(NC(=O)CBr)c1 35605515 XRHKPSFNDHEYGG-UHFFFAOYSA-N 313.195 2.041 50 40 DEGB CCOC(=O)C/C(C)=N/NC(=O)CNc1ccc(C)cc1C 4372164 JKRBHGARAZUAJV-QGOAFFKASA-N 305.378 2.161 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1 9489299 RKHUZBZNDAVHFS-XDHOZWIPSA-N 302.422 2.125 50 40 DEGB CN1C(N)=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C1CCCC2=O 409130111 IJGPJEYBPVZFJM-INIZCTEOSA-N 323.352 2.145 50 40 DEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 408969562 QCBHSXJDUUWCBX-XUNMKLQISA-N 316.188 2.358 50 40 DEGB O=C(COc1ccccc1Cl)NNC(=O)c1ccccc1 486557 WCLCXOOEGMQTDF-UHFFFAOYSA-N 304.733 2.180 50 40 DEGB O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1 333436 JWXLVRKFLPQLHO-UHFFFAOYSA-N 310.140 2.463 50 40 DEGB O=C(NNC(=O)c1ccccc1)Nc1cccc(-c2nnco2)c1 69591408 ABRQTIGRIKUFKC-UHFFFAOYSA-N 323.312 2.203 50 40 DEGB Cc1ccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1 31776082 VOILCDWKWDGESI-YVLHZVERSA-N 313.313 2.432 50 40 DEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1F 3149914 WTHYNHWAHSBCRV-RQZCQDPDSA-N 317.276 2.263 50 40 DEGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccncc1 262916 HHAGJOFKWHYGFV-FRKPEAEDSA-N 320.692 2.113 50 40 DEGB COc1cc2c(cc1OC)/C(=C(\C#N)CCC(C)=O)NCC2 1704519 ZQQMULLCJTWENR-GHRIWEEISA-N 300.358 2.453 50 40 DEGB O=C(NCCCBr)Oc1ccc([N+](=O)[O-])cc1 1730981 LTBYKHAMPFQXEC-UHFFFAOYSA-N 303.112 2.468 50 40 DEGB O=C(N/N=C/c1ccc(F)cc1F)[C@@H]1COc2ccccc2O1 5164174 MCUFRVIXBIYPKL-UZSVJVCZSA-N 318.279 2.255 50 40 DEGB CS(=O)(=O)[C@@H](Cl)[C@H](O)c1ccc(Br)cc1 96518833 UWDOYVSHXIGGEP-RKDXNWHRSA-N 313.600 2.092 50 40 DEGB CCn1ncc(Cl)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 253407380 WFHKXFSXXDSMSE-GFCCVEGCSA-N 318.764 2.371 50 40 DEGB Cc1cc(C(=O)NN)cc(C)c1OC(=O)c1ccc(F)cc1 256054578 WWMFFGHPAYNCQQ-UHFFFAOYSA-N 302.305 2.265 50 40 DEGB Cc1ccc2c(CC(=O)NNC(=O)c3ccccc3O)coc2c1 7976127 RUMTWZFMFKKXDQ-UHFFFAOYSA-N 324.336 2.451 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@H](O)c1cccc(C)c1 96519129 ZWZDRFOYBWEBQB-GHMZBOCLSA-N 307.209 2.184 50 40 DEGB CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(SC#N)cc1 16694120 KSIPBOIJKNTGQK-QPEQYQDCSA-N 310.338 2.052 50 40 DEGB C[C@H](Sc1ccccn1)C(=O)N/N=C/c1ccccc1O 5393994 PEJMDQHKCDIPQC-MUOOZZNISA-N 301.371 2.418 50 40 DEGB O=C=Nc1cccc(S(=O)(=O)c2cccc(N=C=O)c2)c1 1672257 YLLYHGYVPJDNCX-UHFFFAOYSA-N 300.295 2.454 50 40 DEGB COC(=O)/C(C#N)=C/c1cnc2ccc(Br)cn12 96295463 URGBYYURVGQJOG-XBXARRHUSA-N 306.119 2.177 50 40 DEGB CN(C)/C=C(/C=O)c1nn(-c2ccccc2)c(Cl)c1C=O 33575198 USAGZKDKGKAMOR-FLIBITNWSA-N 303.749 2.440 50 40 DEGB CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccco1 521367 DNJCZFXRWZJFEX-NSHDSACASA-N 308.721 2.143 50 40 DEGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OC 59334845 FUBDCMULIIVKQQ-ZROIWOOFSA-N 300.358 2.427 50 40 DEGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccs1 3338378 XITDYUNZAGZCPN-SFQUDFHCSA-N 315.398 2.349 50 40 DEGB Cc1nc2ccccc2c(=O)n1CCOC(=O)C(Cl)Cl 60017050 KAYRWYHIKSSRGJ-UHFFFAOYSA-N 315.156 2.052 50 40 DEGB Cc1ccc(C(=O)NNC(=O)COc2ccc3c(c2)CCC3)cc1 2639575 QZNOKBJLNMUIRG-UHFFFAOYSA-N 324.380 2.324 50 40 DEGB CCS(=O)(=O)[C@H](Br)C(=O)c1cccc(C)c1 96517893 RMXBHOQSQLXLME-NSHDSACASA-N 305.193 2.333 50 40 DEGB N#C/C(=C/c1cccn1-c1ccccc1)C(=O)N1CCOCC1 526071 SVNKBTNHQHGJQB-SQFISAMPSA-N 307.353 2.243 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(OCC#N)cc2)cc1 5513560 MFVKLIJHZKEOND-XDHOZWIPSA-N 309.325 2.361 50 40 DEGB Cc1cc(C)n(/C(=C/C(=O)C(Cl)Cl)N2CCOCC2)n1 118606 WULORVUGUZWLSX-XYOKQWHBSA-N 318.204 2.003 50 40 DEGB CCCCCCCn1c(O)c(C(=O)NN)c(=N)c2ccccc21 100819909 KSATYEPYOYBJLX-UHFFFAOYSA-N 316.405 2.400 50 40 DEGB O=C(CBr)Nc1cccc(C(=O)N2CCCC2)c1 35605417 IJHDVTXXDJQIHY-UHFFFAOYSA-N 311.179 2.256 50 40 DEGB COc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])c(OC)c1 15503892 DCCXHEDFFOWEKN-UHFFFAOYSA-N 317.301 2.369 50 40 DEGB COc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(OC)c1 8115035 BLPJPQCIKICCOQ-DORSJAEJSA-N 323.352 2.461 50 40 DEGB COc1ccccc1NC(=O)NNC(=O)c1cc(C)oc1C 40460216 YVNFQVUGEGZUSF-UHFFFAOYSA-N 303.318 2.372 50 40 DEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(O)c1 38816 MYKDSCSTFOVSPC-AWEZNQCLSA-N 300.314 2.037 50 40 DEGB COc1cccc2c1NC(=O)/C2=N/NC(=O)c1ccccc1C 59472649 JXYNSLRXOBBUCL-UHFFFAOYSA-N 309.325 2.090 50 40 DEGB Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2ccco2)c1C 14066977 ZPJUXFHIWUDIBS-GFCCVEGCSA-N 302.330 2.125 50 40 DEGB CCCC[C@H](CC)COC(=O)c1ccccc1OCC(=O)NN 72334031 DLGOGTYXCXCRHK-ZDUSSCGKSA-N 322.405 2.429 50 40 DEGB Cc1cccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c1C 40177589 VYUFXSJROSXUBV-LBPRGKRZSA-N 315.822 2.062 50 40 DEGB CCCn1c(=O)c(C(=O)NCCCCl)c(O)c2ccccc21 100498415 APSRJCQJPJDZHY-UHFFFAOYSA-N 322.792 2.476 50 40 DEGB CC(=O)/C(C#N)=C1\NC(=O)[C@H](Cc2ccccc2Cl)S1 100458080 XNOIMYBKTJAXCD-LQELWAHVSA-N 306.774 2.438 50 40 DEGB COc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1O 104163174 PGJWMLRUKAONSY-YVLHZVERSA-N 300.314 2.173 50 40 DEGB COc1cc(/C=N\NC(=O)c2cccs2)ccc1OCC#N 33361601 JOGSDTXSFFFIKH-YVLHZVERSA-N 315.354 2.423 50 40 DEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1O 8160269 MYHPHTOYNALDBU-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB CCCCOc1ccc(C(=O)NNC(=O)c2ccncc2)cc1 1885523 QGJGFGXLHAMBBM-UHFFFAOYSA-N 313.357 2.335 50 40 DEGB O=C(CCCSc1ccccc1)NNC(=O)c1ccccn1 9950398 LZOFIMZHRDXQJH-UHFFFAOYSA-N 315.398 2.415 50 40 DEGB Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)c1ccccc1O 3044790 RDIOTVPCGTWUET-UHFFFAOYSA-N 309.325 2.095 50 40 DEGB CC(C)C(=O)NNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 14892865 OTWZFEQQRMRXBJ-UHFFFAOYSA-N 321.377 2.451 50 40 DEGB COC(=O)c1ccc(-c2ccc(/C=N/NC(N)=O)o2)cc1Cl 565828 YRKASWSWRYOFTG-REZTVBANSA-N 321.720 2.389 50 40 DEGB COc1ccc2c(c1)/C(=N\NC(=O)c1cccc(C)c1)C(=O)N2 59472601 XDESRAVEUAKNCG-UHFFFAOYSA-N 309.325 2.090 50 40 DEGB O=C(N/N=C/c1cccc(O)c1O)c1ccc2ccccc2n1 3374259 QTPGLKMODVXRLX-VCHYOVAHSA-N 307.309 2.410 50 40 DEGB C[C@@](O)(CI)C(=O)/C=C/c1ccccc1 3764827 MIETXCQIRCOGQO-ABZNLYFFSA-N 316.138 2.455 50 40 DEGB CCc1ccc(OCC(=O)NNc2ncc(Cl)cn2)cc1 80346080 DWHQRNUSIUZSIM-UHFFFAOYSA-N 306.753 2.215 50 40 DEGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)c2ccc[nH]2)cc1 5635802 VFVMXTRYXRQORK-GXDHUFHOSA-N 323.352 2.414 50 40 DEGB CC(=O)N[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)Cl 245686 NMQMWQSBSXRROK-JTQLQIEISA-N 309.580 2.336 50 40 DEGB COc1ccccc1OCC(=O)N/N=C1/CC(=O)CC(C)(C)C1 101555425 IFHWATWMIKSAOU-PDGQHHTCSA-N 318.373 2.325 50 40 DEGB Cc1cc(C(=O)NNC(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 369545 URTSXPJAEGUFJX-UHFFFAOYSA-N 320.349 2.180 50 40 DEGB CC1(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)OCCO1 566105 OFSWGPRKJINXRC-GIJQJNRQSA-N 316.279 2.309 50 40 DEGB Cc1cc(C)c(O)c(C(=O)C[C@H](Br)C(=O)O)c1 2048043 UJMAEMOARHMKSS-VIFPVBQESA-N 301.136 2.430 50 40 DEGB Cc1ccc(OCC(=O)NNC(=O)C[C@@H]2C=CCC2)cc1C 12905250 GGCSVZAXWAAYPX-CQSZACIVSA-N 302.374 2.186 50 40 DEGB O=C(CC1(C(=O)O)CCCC1)NNC(=O)c1ccc(Cl)cc1 13255636 IKJXEUHTGCOVMP-UHFFFAOYSA-N 324.764 2.136 50 40 DEGB CC1=NN(c2ccccc2)C(=O)[C@@H]1I 16607851 AKXIMCHHMJFLOA-SECBINFHSA-N 300.099 2.213 50 40 DEGB Cn1cccc1CC(=O)NNC(=O)Nc1ccc(Cl)cc1 3192667 IYLVANNNZCQFJS-UHFFFAOYSA-N 306.753 2.074 50 40 DEGB C/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccco1 70299 ZKDBWTXFVRWPTL-XNTDXEJSSA-N 303.274 2.107 50 40 DEGB CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCOCC2)c1C 42629269 SDULJFNXVKCCDR-LFIBNONCSA-N 301.390 2.281 50 40 DEGB CCCC[C@H](CCC(=O)NNC(=O)c1ccccc1)C(=O)O 2356272 MCTGXCNCPABOTM-CYBMUJFWSA-N 306.362 2.119 50 40 DEGB CCS(=O)(=O)[C@H](Br)[C@@H](O)c1cccc(C)c1 96519130 ZWZDRFOYBWEBQB-QWRGUYRKSA-N 307.209 2.184 50 40 DEGB Cc1nn(-c2ccccn2)c2c1C(=O)[C@H](Br)CC2 1423951 ZMLQJFAUSITVCF-SECBINFHSA-N 306.163 2.468 50 40 DEGB O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1 2905551 NLKYFQWMRPNSNY-UHFFFAOYSA-N 318.241 2.487 50 40 DEGB COc1cc(C[C@H]2CC(CCl)=NO2)c(OC)c2c1OCO2 12418103 SUBWGPJVRZEABO-JTQLQIEISA-N 313.737 2.359 50 40 DEGB Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc(C)c2O)cn1 36216349 HWSTWGKETYDNLP-CAOOACKPSA-N 314.301 2.076 50 40 DEGB C#CCOc1cccc(/C=N/NC(=O)c2ccc(OC)cc2)c1 409259951 IFYUAIUCSIDRKG-CPNJWEJPSA-N 308.337 2.471 50 40 DEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(C)o1 409372017 NSCZCBKHHRPDKS-WOJGMQOQSA-N 312.325 2.373 50 40 DEGB NNC(=O)c1cnc(-c2cccc(Cl)c2)nc1N1CCCC1 223459690 ZFNHOCNGNWCJFL-UHFFFAOYSA-N 317.780 2.001 50 40 DEGB O=C1N[C@@]2(C=C[C@H](Br)CC2)C(=O)C12CCCCC2 1722987 DJWNQNIHQSUQBB-IINYFYTJSA-N 312.207 2.488 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc1 6170359 XFSSENNIGSBVPH-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB Cc1c(C(=O)NNC(=O)c2ccccc2F)cccc1[N+](=O)[O-] 5724492 SJLRVUKPEXGGAN-UHFFFAOYSA-N 317.276 2.117 50 40 DEGB O=C(NNC(=O)c1c[nH]c2ccccc12)NC1CCCCC1 2734147 PVASQPOZCWVDSI-UHFFFAOYSA-N 300.362 2.445 50 40 DEGB O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccccc1F 409011692 IDDCYDVPJBVVIO-WOJGMQOQSA-N 317.320 2.019 50 40 DEGB CN(C)NC(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408975404 JLFNHYGXQBOGBK-UHFFFAOYSA-N 305.341 2.471 50 40 DEGB Cc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 2737563 LBAIJYLUIIIPIW-UHFFFAOYSA-N 320.349 2.180 50 40 DEGB O=S(=O)(c1ccccc1)[C@@H]1[C@@H]2C[C@H]3[C@@H]([C@@H]2Br)[C@H]13 104253579 ZNVZGURQOQNGRK-ZRFFIENRSA-N 313.216 2.488 50 40 DEGB CCc1cccc(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)c1 40177547 FWJRLSIQIOROIB-ZDUSSCGKSA-N 315.822 2.008 50 40 DEGB C[C@@H]1CCc2sc(C(=O)NNC(=S)NC3CC3)cc2C1 14840449 NBOUTRKOXGIXKZ-MRVPVSSYSA-N 309.460 2.144 50 40 DEGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C1/CCc2ccccc21 5754984 AIXDPIKUWVQLLC-UNOMPAQXSA-N 322.290 2.369 50 40 DEGB COCc1noc2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)N2 204878 XVKFKFRWXDAOOA-LBPRGKRZSA-N 300.293 2.211 50 40 DEGB O=[P@@]1(NCCBr)OCCCN1CCCl 5134120 ZJVAVRRLTFVZIP-AWEZNQCLSA-N 305.540 2.040 50 40 DEGB Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21 408806278 AIGMUJQKZOCKTQ-BMQCOBNYSA-N 309.369 2.380 50 40 DEGB COc1ccccc1NC(=O)[C@H](C)I 72226331 YUCQERXPBSNQMD-ZETCQYMHSA-N 305.115 2.457 50 40 DEGB C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)C(=O)C2=O 222180107 VVGZRNFSODSHMS-JMOVZRAMSA-N 324.012 2.331 50 40 DEGB CC1(C)O[C@H]2C(=O)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1 195819359 VBPYRQYBEKHPKA-HBNTYKKESA-N 302.443 2.454 50 40 DEGB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)CCl)c1 14404602 RSYRZQKSJOTNCG-UHFFFAOYSA-N 306.753 2.456 50 40 DEGB CN1CCC(=NNC(=O)c2cccc(Br)c2)CC1 59415415 PLKVKYSEUSLJGW-UHFFFAOYSA-N 310.195 2.261 50 40 DEGB CN(C)CCO[Si](C)(c1ccccc1)c1ccc(F)cc1 195781901 QADCPKADYSPGSP-UHFFFAOYSA-N 303.453 2.093 50 40 DEGB CS(=O)(=O)[C@H](Br)C(=O)c1ccc(Cl)cc1 96517835 AYCKZTCCACESCA-VIFPVBQESA-N 311.584 2.288 50 40 DEGB Cc1cc(C)nc(NNC(=O)[C@@H]2Cc3ccccc3S2)n1 22236066 JVYIWICJNWHHEN-ZDUSSCGKSA-N 300.387 2.254 50 40 DEGB O=C(NNC(=O)c1ccccc1C(F)(F)F)c1cccnc1 25432281 BDCXCVXELHCCPP-UHFFFAOYSA-N 309.247 2.175 50 40 DEGB Cc1oc(-c2ccccc2)nc1C(=O)NNC(=O)c1cccn1C 12994516 FJPNJARXFRFMHO-UHFFFAOYSA-N 324.340 2.063 50 40 DEGB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)CBr 72207504 JRAVFCZTEOIVDO-NSHDSACASA-N 311.179 2.011 50 40 DEGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N/N=C/c1ccc(O)cc1)C[C@@H]2O 16805087 BUACLTUPCYMJFI-QOBAQGKMSA-N 316.401 2.420 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)Cc1cccc2ccccc12 104740203 HLYBZXDRZNNJRO-VBKFSLOCSA-N 308.337 2.251 50 40 DEGB O=C1CC[C@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)N1 72508225 QZBQBYDPHKNMKV-MRVPVSSYSA-N 322.579 2.369 50 40 DEGB COc1ccccc1/C=C/C(=O)NNC(=O)c1cc(C)oc1C 8346463 GUFXCOFUVRKYLH-CMDGGOBGSA-N 314.341 2.379 50 40 DEGB CN1c2ccccc2C(C)(C)[C@]12C=C(C#N)C(=C(C#N)C#N)N2 104204889 NECBGKUVHYXJCU-SFHVURJKSA-N 301.353 2.465 50 40 DEGB C/C(=N/NC(N)=O)C(=S)Nc1ccc(Br)cc1 68572198 AVRYOFDNSDLEHG-NSIKDUERSA-N 315.196 2.233 50 40 DEGB Cc1ccc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1 409363440 LVGCOGQUUPYCJO-UNOMPAQXSA-N 310.353 2.459 50 40 DEGB COc1cccc(C(=O)N/N=C(/C)c2ccc(O)cc2O)c1 18276186 LXUNZCDEZZSARK-YVLHZVERSA-N 300.314 2.260 50 40 DEGB CN(C)c1nc(N)nc(/C(C#N)=C\c2cccc(Cl)c2)n1 48342762 HROZLPFBGSXSOD-POHAHGRESA-N 300.753 2.237 50 40 DEGB CN(C)C(=O)CCc1ccc(NC(=O)CBr)cc1 35605519 JKSLLGWWBGNWNW-UHFFFAOYSA-N 313.195 2.041 50 40 DEGB COc1cc2c(cc1/C=N/NC(=O)c1ccc(C)cc1)OCO2 409058126 RMYVOBHGYDUZLQ-GIJQJNRQSA-N 312.325 2.496 50 40 DEGB C#CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1OC 409371876 LQEFHZWVWGYRRF-RVDMUPIBSA-N 310.353 2.237 50 40 DEGB CC1(C)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O1 169808146 WHHPDHGRRYXEHB-WRWGMCAJSA-N 304.459 2.246 50 40 DEGB N#Cc1ccccc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1 245424 RQIHSSDBSQOTJJ-WOJGMQOQSA-N 308.297 2.159 50 40 DEGB COC(=O)/C(C#N)=C1\CCC[C@@H]1/C(SC)=C(/C#N)C(=O)OC 16189532 SZJFCBIOLUFPEJ-XNPHZYAWSA-N 320.370 2.093 50 40 DEGB Cc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 546872 URWMJADWIKJDIQ-OVCLIPMQSA-N 303.274 2.025 50 40 DEGB O=C(CCl)Nc1cc(C(F)(F)F)ccc1-n1cncn1 3426725 VWTMVJCKFWHJLK-UHFFFAOYSA-N 304.659 2.463 50 40 DEGB O=C(Cc1ccccc1)NNC(=O)c1cc(-c2ccccc2)[nH]n1 6173748 KTGRHXRIWVGRGC-UHFFFAOYSA-N 320.352 2.080 50 40 DEGB CCS(=O)(=O)[C@@H](Br)C(=O)c1ccc(C)cc1 96517882 XTCXDBWDXAJBCA-LLVKDONJSA-N 305.193 2.333 50 40 DEGB N=C(NNC(=O)c1cc(Cl)nc(Cl)c1)c1ccccn1 163181 SDYBBTJPQTVFSB-UHFFFAOYSA-N 310.144 2.043 50 40 DEGB O=C(/C=C/c1cccc(Cl)c1)NNC(=O)c1ccncc1 32975387 JVOQJGQYZYFHIG-SNAWJCMRSA-N 301.733 2.209 50 40 DEGB N[C@H](CC(=O)O)c1cccc(N(CCCl)CCCl)c1 2045445 OFTRSXQYSTVKLF-GFCCVEGCSA-N 305.205 2.445 50 40 DEGB CCNC(=O)[C@@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 100868337 QUBGBAMKAQNKIG-ZEGGKSINSA-N 302.212 2.281 50 40 DEGB O=C1CCCC(=O)C1[C@H]1c2ccccc2CCN1C(=O)CCl 4730583 HJKHROXVFKTGOV-QGZVFWFLSA-N 319.788 2.290 50 40 DEGB C=C(C)C(=O)OCC(COC(=O)C(=C)C)O[Si](C)(C)C 196715624 OSCFXCTVDHAMJL-UHFFFAOYSA-N 300.427 2.445 50 40 DEGB Cc1ccc(/C=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)o1 33620896 BHIPEJYUBDEWIP-LSCVHKIXSA-N 319.748 2.122 50 40 DEGB COC(=O)[C@@H]1C(=O)NC(S)=C(C#N)[C@H]1c1ccccc1Cl 278639 NHZCPNMTDJFYKY-MNOVXSKESA-N 322.773 2.008 50 40 DEGB COc1ccc(O)c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1 408567683 PHRPVDOXVIOAOI-SXGWCWSVSA-N 315.285 2.073 50 40 DEGB Cc1cc(C(=O)NN)c(C)n1-c1ccccc1Br 223705277 AZXCKATXUGASDS-UHFFFAOYSA-N 308.179 2.460 50 40 DEGB CN(C=O)N(OC(=O)c1ccccc1)C(=O)Oc1ccccc1 255187905 HNJLHTFEIDXTRL-UHFFFAOYSA-N 314.297 2.263 50 40 DEGB Cc1cccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1 31776085 ZOCOMNRSWQSSKQ-YVLHZVERSA-N 313.313 2.432 50 40 DEGB COP(=S)(OC)Oc1nc(C)c([N+](=O)[O-])c(C)c1C#N 162947 NMERICABGAXBTA-UHFFFAOYSA-N 317.263 2.374 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1 104756327 ZRHPVSAQDNWOHF-FLIBITNWSA-N 312.247 2.188 50 40 DEGB COc1c(Br)cc(C(C)(C)C)cc1C(=O)NN 57339248 CLDKWBQPYRUOKS-UHFFFAOYSA-N 301.184 2.359 50 40 DEGB Cc1ccccc1/C=N/NC(=O)COc1ccccc1[N+](=O)[O-] 4720940 IOWSUUVPBXWFFX-LICLKQGHSA-N 313.313 2.432 50 40 DEGB CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CCl 79392480 HCFOOQDWWBAJHO-LLVKDONJSA-N 304.818 2.331 50 40 DEGB CCOC(=O)c1c(NC(=O)CCl)sc2c1CCN(C)C2 74941636 PKCQBZXGXDFBSA-UHFFFAOYSA-N 316.810 2.090 50 40 DEGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 135194 ZZAKNKVAKILQMV-VUVCFOEZSA-N 313.313 2.169 50 40 DEGB CC(C)(C)NC(=S)NNC(=O)COc1cccc(Cl)c1 14895179 KPHYTKNZAUCNOI-UHFFFAOYSA-N 315.826 2.013 50 40 DEGB COc1cc(/C=C(\C#N)C(N)=S)c(Br)cc1O 2884361 AGFFNKLNKWSGSU-FARCUNLSSA-N 313.176 2.356 50 40 DEGB COc1ccc(CC(=O)NNC2=CC(=O)CC(C)(C)C2)cc1 12572710 PDJBVGRVWZONAG-UHFFFAOYSA-N 302.374 2.132 50 40 DEGB CC1CCN(S(=O)(=O)c2ccc(C(=O)Cl)cc2)CC1 4137149 YHZNRYIKNLJINL-UHFFFAOYSA-N 301.795 2.486 50 40 DEGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 35063159 UWWDRIKZQOWUNZ-PXNMLYILSA-N 303.249 2.203 50 40 DEGB COc1ccc(/C(C)=N/NC(=O)c2ccc(N)cc2)c(OC)c1 12572057 XUWFICKNSARJBR-YBFXNURJSA-N 313.357 2.440 50 40 DEGB COc1ccc([C@@H](O)CI)cc1OC 38355587 QXUYTOYFDIQESZ-QMMMGPOBSA-N 308.115 2.172 50 40 DEGB in-vitro Cc1ccc(/C=N/NC(=O)C(=O)NC2CCCCCC2)cc1 409005711 KECWKRLFXLUSRJ-LDADJPATSA-N 301.390 2.284 50 40 DEGB COc1ccc(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 357951 XEWPJNXVSDTGKB-GZTJUZNOSA-N 313.313 2.296 50 40 DEGB Cc1ccc(C)c(NC(=S)NNC(=O)c2cccn2C)c1 40464848 TXYCTYCOUZONAT-UHFFFAOYSA-N 302.403 2.273 50 40 DEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1F 262015 XFPGSEOZTTWYKW-LICLKQGHSA-N 301.277 2.427 50 40 DEGB CN1C(=O)/C(=N\NC(=O)c2c[nH]c3ccccc23)c2ccccc21 3306284 LWSRRVHRJNNPEW-SILNSSARSA-N 318.336 2.278 50 40 DEGB CCc1ccc([C@H]2NC(=O)NC(CCl)=C2C(=O)OC)cc1 57509220 WIZFTSYIHFMWMC-CYBMUJFWSA-N 308.765 2.269 50 40 DEGB CCOc1ccc(CC(=O)N/N=C\c2ccc(O)cc2O)cc1 408711788 KIZWKQIJYGBFGB-WQRHYEAKSA-N 314.341 2.189 50 40 DEGB Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 409036610 RYNSMXUWCLPXJL-VGOFMYFVSA-N 318.245 2.168 50 40 DEGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1C 194519326 ISLRUUBYUVMCKU-UJMHRVFCSA-N 300.358 2.206 50 40 DEGB NC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 573131 CDMFRPPPCCUCRP-CXUHLZMHSA-N 300.274 2.389 50 40 DEGB COc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1OC 5335483 FJFFGJDHQGXXSQ-YBFXNURJSA-N 313.357 2.266 50 40 DEGB Cc1cccc(NC(=O)NNC(=O)c2cc(C)nc(Cl)n2)c1 2559297 OXYQBFOXCSTPFX-UHFFFAOYSA-N 319.752 2.213 50 40 DEGB COc1ccc(C(=O)NNC(=S)Nc2ccc(F)cc2)cc1 143247 NHBGSZRQYQXYMM-UHFFFAOYSA-N 319.361 2.466 50 40 DEGB Cc1ccc(NCC(=O)N/N=C\c2c(C)cc(O)cc2O)cc1 55399309 NCXYJHRCPJFINE-OCKHKDLRSA-N 313.357 2.277 50 40 DEGB biogenic,in-vitro Cc1cc(/C=N/NC(=O)C(N)=O)c2c(C)ccc(C(C)C)cc1-2 44060905 KTZINEVCBOUGOQ-AWQFTUOYSA-N 311.385 2.467 50 40 DEGB Cc1ccc(OCc2cccc(C(=O)NN)c2)c([N+](=O)[O-])c1 4294114 OYIOLEOCFFHCAY-UHFFFAOYSA-N 301.302 2.086 50 40 DEGB NNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl 4696849 BNBYIXWEKXIMGD-WQLSENKSSA-N 321.789 2.162 50 40 DEGB O=C(CCl)NC[C@H]1CCN(C(=O)OCc2ccccc2)C1 79392613 HLJRZUFFBGWLDG-CYBMUJFWSA-N 310.781 2.000 50 40 DEGB O=C(Cn1cncn1)N/N=C/c1cccc(Oc2ccccc2)c1 547881 CDCAHILPFRSQPQ-VXLYETTFSA-N 321.340 2.221 50 40 DEGB CN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2C1 5557935 PFPORCXOCGBIOO-SQNIBIBYSA-N 315.380 2.040 50 40 DEGB ClCCN(CCCl)c1ccc(/C=N/n2cnnc2)cc1 1694088 GTMFLJBQVXFCGY-GIJQJNRQSA-N 312.204 2.444 50 40 DEGB N#CC1=C(N)Oc2cc([N+](=O)[O-])ccc2[C@@H]1c1cccc(N)c1 492393 RJISVPVNTOTQKQ-HNNXBMFYSA-N 308.297 2.395 50 40 DEGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccs1 3080064 FTNWYIYQHALZGA-MHWRWJLKSA-N 317.370 2.236 50 40 DEGB CCc1ccc(C(=O)NNC(=O)c2c(CC)noc2C)cc1 8248557 RISKVSUKCWCNIA-UHFFFAOYSA-N 301.346 2.183 50 40 DEGB COc1ccc(-c2cc(C(=O)NN)nn2-c2ccc(C)cc2)cc1 59472471 RBEBDTMPTDESAI-UHFFFAOYSA-N 322.368 2.460 50 40 DEGB O=C(N/N=C\c1ccc(F)cc1)c1ccc2c(c1)OCCO2 35185467 AFRLLJDJGMDVFL-ZDLGFXPLSA-N 300.289 2.361 50 40 DEGB COC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1 6857771 XPMIAVHPMTYNRH-LBPRGKRZSA-N 322.723 2.299 50 40 DEGB CC(=O)N/N=C(\C)c1ccc(I)cc1 7946331 XVYHQMFPNJBEQW-KPKJPENVSA-N 302.115 2.151 50 40 DEGB Cc1nn(-c2nc3c(Cl)cccc3s2)c(C)c1C(=O)NN 57351345 ACUNPOWWMURHSU-UHFFFAOYSA-N 321.793 2.356 50 40 DEGB COc1ccc(CNC(=O)C(=O)NN=C2CCCCCC2)cc1 59515827 BYAPNYZXWUOTBC-UHFFFAOYSA-N 317.389 2.138 50 40 DEGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1 196617 AMRKTUNAOZHNMU-AWEZNQCLSA-N 310.309 2.175 50 40 DEGB biogenic Cc1cccc(-c2ncc(C(=O)NN)c(N3CCCCC3)n2)c1 223461099 GPHFXYNXELZNAG-UHFFFAOYSA-N 311.389 2.046 50 40 DEGB CCCCCCCC(=O)NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 254479775 MDVHGOHQCHRPDE-NZBPQXDJSA-N 322.405 2.017 50 40 DEGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(F)cc1 6473702 JRRDOAGQFBMOIZ-LICLKQGHSA-N 301.277 2.427 50 40 DEGB COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2F)cc1 135064 NMRKJRMYQQSBIJ-VCHYOVAHSA-N 300.289 2.376 50 40 DEGB COc1ccnc(NNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)n1 56887398 VEGKUPFVHQJPBM-DTWKUNHWSA-N 318.299 2.297 50 40 DEGB Cc1nn2c(/C=C(\C#N)C(N)=O)c(-c3ccccc3)nc2s1 41074195 SVNHDQOKHNQAMD-YRNVUSSQSA-N 309.354 2.159 50 40 DEGB O=S(=O)(c1ccc(F)cc1)N(CCCl)CCCl 1688256 CHCDXCVZZXLUDN-UHFFFAOYSA-N 300.182 2.294 50 40 DEGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 3474763 QOJGKYHPBJLJCM-LZYBPNLTSA-N 313.269 2.087 50 40 DEGB C/C(=N\NC(=O)CN1CCOCC1)c1ccc(C(C)(C)C)cc1 19797786 KTIZEYMBKYVXEB-XMHGGMMESA-N 317.433 2.157 50 40 DEGB Cc1occc1C(=O)NNC(=O)c1ccccc1Br 142632 FNPSLCTXGUGSLA-UHFFFAOYSA-N 323.146 2.425 50 40 DEGB COc1ccc(CSCC(=O)N/N=C/c2ccncc2)cc1 59473718 HJVNBLJWBDIDQH-VCHYOVAHSA-N 315.398 2.474 50 40 DEGB Cc1[nH]nc2c1[C@H](c1ccnc3ccccc13)C(C#N)=C(N)O2 6812818 XFZUOILNZMYKDY-OAHLLOKOSA-N 303.325 2.485 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccccc1F 96519115 MMZGVBHBDSLANM-VHSXEESVSA-N 311.172 2.015 50 40 DEGB COc1cccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c1 581732 BYEBVEFAXRWMIE-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cccs2)c1 3085397 XRLKMFLFGPGTKV-CXUHLZMHSA-N 301.371 2.454 50 40 DEGB O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccco1 7519634 XBGOCSKEDILHIK-UHFFFAOYSA-N 316.338 2.056 50 40 DEGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(F)cc1 216953888 KJIYYGVYMFSEKG-UHFFFAOYSA-N 311.316 2.381 50 40 DEGB COC(=O)OCc1c(C)cc(C)c(/C=C(\C#N)C(N)=O)c1C 43579 OMQIWCMBKIWMAT-WUXMJOGZSA-N 302.330 2.287 50 40 DEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 246031 GTLVIDHIVNSXBQ-LZYBPNLTSA-N 313.269 2.087 50 40 DEGB C/C(=N/NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1O 100833835 FMIMSTUCVCHGCS-CJMVGXJBSA-N 312.325 2.072 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 59602 RGZHSVDYZCAOHT-GZTJUZNOSA-N 312.329 2.425 50 40 DEGB CC(C)(C)c1cc(/C=N/OCC(=O)NN)cc(C(C)(C)C)c1O 3168613 SIMKOIOOBVQLGV-DJKKODMXSA-N 321.421 2.328 50 40 DEGB CCN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)CCl 79392510 OGRFAEURYYCVII-LLVKDONJSA-N 304.818 2.331 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)COc1ccccc1C(C)C 104872041 KBFLAFSYEVMUOJ-OWBHPGMISA-N 316.357 2.057 50 40 DEGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)O)cc1 59678338 DSMOTAKOHIEAIV-GVIGZQTCSA-N 316.357 2.314 50 40 DEGB COc1ccc(NC(=O)C(=O)N/N=C/c2ccco2)cc1Cl 59516264 RQYKEMJUMXJXIP-LZYBPNLTSA-N 321.720 2.030 50 40 DEGB O=C(NNc1nnc(-c2ccccc2)c(O)n1)c1ccccc1 28616661 OACFJRLLMIEINB-UHFFFAOYSA-N 307.313 2.001 50 40 DEGB CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CCl 79392477 DIDMFJAMLAUGGW-LLVKDONJSA-N 304.818 2.473 50 40 DEGB CC(C)(CC(=O)NN)CC(=O)Nc1cccc(C(F)(F)F)c1 199414826 HEKHZEJINTUTGP-UHFFFAOYSA-N 317.311 2.440 50 40 DEGB O=C(N/N=C/c1cc(O)ccc1Br)c1cccnc1 361117 DVESYZFNOVQPBZ-LZYBPNLTSA-N 320.146 2.314 50 40 DEGB NC(=O)C(=O)N/N=C/c1cccc(Oc2ccc(Cl)cc2)c1 3230375 HIFISEJOFWXHRV-GIJQJNRQSA-N 317.732 2.068 50 40 DEGB CCOC(=O)COc1ccc2ccccc2c1/C=C(\C#N)C(N)=O 408920674 KGHALABOWYDBFZ-UKTHLTGXSA-N 324.336 2.174 50 40 DEGB CC1(C)[C@@H](Cl)CC[C@]2(C)[C@@H](C(=O)O)[C@](C)(O)C[C@@H]3O[C@]312 85563697 FZDLFIRMAQCUGH-MSKJFZEMSA-N 302.798 2.413 50 40 DEGB biogenic,in-vitro Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)c1 59101718 WNZJHGDLQNSNDV-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB Cc1cccc(C(=O)NNC(=S)NC(=O)c2cccs2)c1 2135560 GBZXCRWJNWKZFY-UHFFFAOYSA-N 319.411 2.006 50 40 DEGB Cc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)o2)cc1 409014279 WVTVYCQITMTJFC-LDADJPATSA-N 313.357 2.189 50 40 DEGB CN(C(=O)OCc1ccccc1)C1CCN(C(=O)CCl)CC1 79411846 BFOWFVXVMDUOCH-UHFFFAOYSA-N 324.808 2.485 50 40 DEGB CCOc1cc(/C=N\NC(=O)COc2ccccc2)ccc1O 95935816 YJLAUYCQYSEDOP-WQRHYEAKSA-N 314.341 2.320 50 40 DEGB CC(=O)/C(C#N)=C1/NC(=O)[C@H](Cc2ccc(C)c(C)c2)S1 13110740 WTLJJAYZTMBARP-DSDLTIFZSA-N 300.383 2.402 50 40 DEGB N#CCOc1ccccc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 59165441 YIXQOFOQHICCPM-WOJGMQOQSA-N 324.296 2.261 50 40 DEGB CCN1CCC(=NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 55008623 KQZJUMFGDVIUGV-UHFFFAOYSA-N 304.350 2.105 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1C 247281 DHEJOATZQJHLJR-AAWPKVBNSA-N 300.358 2.206 50 40 DEGB C[C@H](Cl)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3252703 DSOBGUAOLYUXTM-JTQLQIEISA-N 316.810 2.037 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1OC 57786505 GPHLYOFZFWGHQA-YBFXNURJSA-N 309.325 2.339 50 40 DEGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccncc1 59472894 BDOFSXXZJZKRBM-GIJQJNRQSA-N 313.382 2.340 50 40 DEGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccccc1C(=O)O 3226209 DDMNGWJYEZNUKR-DJKKODMXSA-N 315.304 2.086 50 40 DEGB COc1ccccc1NCC(=O)N/N=C(\C)c1ccccc1O 100043419 QTRHIRXEQJZXSY-XDHOZWIPSA-N 313.357 2.353 50 40 DEGB CCNC(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C 59109277 JHWQTDYCTZHSKL-HTRKUNOGSA-N 301.390 2.327 50 40 DEGB COc1ccc(-c2cc(C(=O)NN)nn2-c2ccccc2)cc1 59472470 ARTYRWWDBYZISH-UHFFFAOYSA-N 308.341 2.151 50 40 DEGB O=C(CCCOc1ccccc1)NNC(=O)c1ccccc1F 2658022 ZQOHUULMUMBKSB-UHFFFAOYSA-N 316.332 2.446 50 40 DEGB CCOC(=O)/C(C#N)=C1\SCC(=O)N1c1ccc(OC)cc1 15982229 HHLQUTWYODJYOR-OWBHPGMISA-N 318.354 2.073 50 40 DEGB C/C(=N\NC(=O)CNc1ccc2c(c1)OCO2)c1cccs1 409143780 HUCMPTGAFFRKHF-LICLKQGHSA-N 317.370 2.429 50 40 DEGB COc1ccc(Nc2nc(CC(=O)NN)cs2)cc1Cl 223451723 PTFJRFXTXSUQMC-UHFFFAOYSA-N 312.782 2.081 50 40 DEGB COc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1OC 8163860 BVHREAZAACHVJV-SLDJAQPHSA-N 323.352 2.461 50 40 DEGB O=C(NNc1ncnc2ccccc12)c1ccccc1[N+](=O)[O-] 6880573 JYHVTVDZWZPXTO-UHFFFAOYSA-N 309.285 2.295 50 40 DEGB C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1cccs1 100510184 PSNSMONZYHDECU-MHWRWJLKSA-N 305.359 2.153 50 40 DEGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc[nH]1 45295881 LHOBBOQNVMAPNV-WOJGMQOQSA-N 303.391 2.054 50 40 DEGB Cc1nn(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1Cl 253402961 PDCXSZBHWLGRQD-NSHDSACASA-N 318.764 2.197 50 40 DEGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1O 5332824 WAITZFBMRGGXEX-YBFXNURJSA-N 313.357 2.353 50 40 DEGB Cc1ccc(OCC(=O)NNC(=O)c2cccs2)cc1C 569198 PUSMGQGYSZFEHF-UHFFFAOYSA-N 304.371 2.205 50 40 DEGB O=C(Cc1cn2ccsc2n1)N/N=C1\CCc2ccccc21 7004758 GLOIIASKLSIUTF-NBVRZTHBSA-N 310.382 2.405 50 40 DEGB COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)ccc1O 59382711 PFYWCAGUHRBQEA-GYKGCMEESA-N 314.341 2.239 50 40 DEGB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(N(C)C)cc1 6210453 FUPGJYPILCDJTP-XDHOZWIPSA-N 321.384 2.473 50 40 DEGB C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1ccc(O)cc1 57733422 MQMZXXQBJAQWDB-LICLKQGHSA-N 314.370 2.184 50 40 DEGB Cc1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)s1 3238648 GJKDBNQOYKECKS-OMCISZLKSA-N 316.308 2.422 50 40 DEGB CN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)CCl)C1 79411798 DITIMGLCOKDDIL-CYBMUJFWSA-N 310.781 2.095 50 40 DEGB COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1OC 33305795 CBQZQBOIGSXXQV-WQRHYEAKSA-N 314.341 2.233 50 40 DEGB O=C(N/N=C/c1ccccc1F)[C@@H]1COc2ccccc2O1 197757 HVWJQXPIZDRWSY-UPAIAECRSA-N 300.289 2.116 50 40 DEGB Cn1cccc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 5425211 UDQUZYMJJQESBS-CQSZACIVSA-N 319.320 2.350 50 40 DEGB Cc1cc(C(=O)Cl)ccc1N1C[C@H](C(=O)Cl)CC1=O 100680224 PNOPBEUGMYTXIS-SECBINFHSA-N 300.141 2.492 50 40 DEGB COc1ccc(F)c([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 6812811 KZSJHWOIOUKNEH-ZDUSSCGKSA-N 300.293 2.084 50 40 DEGB COc1ccc(C(=O)N/N=C/c2cc(C)ccc2O)c(O)c1 409392779 RTMIPNHENWTZHY-RQZCQDPDSA-N 300.314 2.179 50 40 DEGB O=C(Cc1ccccc1)N/N=C1\C(=O)Nc2ccc(Cl)cc21 16701352 QXZFPUMIFJFZQP-UHFFFAOYSA-N 313.744 2.355 50 40 DEGB CCc1n[nH]c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2 5123858 JOCQPZVPHLJNPP-LBPRGKRZSA-N 311.301 2.098 50 40 DEGB CCOC(=O)NNC(=O)c1c(-c2ccc(F)cc2)noc1C 47430064 LYIRTWJDCBZKMQ-UHFFFAOYSA-N 307.281 2.180 50 40 DEGB CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)C(C#N)=C(N)O1 1004534 VWGVRQHVJNBNJY-CQSZACIVSA-N 314.341 2.340 50 40 DEGB CC1(C)[C@H]2C[C@H]1CC[C@@H]2CNC(=N)CSS(=O)(=O)O 100367417 VOOABHIKMGRJFC-BBBLOLIVSA-N 306.453 2.162 50 40 DEGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(N)=O)cc1OCC 408817765 YKCYJLGYFOCBIV-IZZDOVSWSA-N 304.733 2.143 50 40 DEGB Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cnccn1 13109028 OLJVZPPNLROHQU-JMIUGGIZSA-N 320.356 2.043 50 40 DEGB CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)CN1CCCCCC1=O 102447653 SPDWIZXNJSACDL-RBXCXTNXSA-N 317.433 2.483 50 40 DEGB Nc1ncnc(O[C@@H]2C=CC(Cl)=C[C@@H]2Cl)c1[N+](=O)[O-] 26802697 QNDFVQOPPDCPKK-NKWVEPMBSA-N 303.105 2.014 50 40 DEGB COc1ccc(F)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1 6812815 KZSJHWOIOUKNEH-CYBMUJFWSA-N 300.293 2.084 50 40 DEGB Cc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)o1 409366506 VJTYGSDZXLPDON-LICLKQGHSA-N 300.314 2.052 50 40 DEGB COc1ccc(C(=O)N/N=C\c2cccc(O)c2)cc1OC 33341117 NHKYEWRTDNVWEK-YVLHZVERSA-N 300.314 2.173 50 40 DEGB COc1ccc(/C=C/C(=O)NNC(=O)c2cc(C)oc2C)cc1 3559900 JKULHWMWQIGBOK-RMKNXTFCSA-N 314.341 2.379 50 40 DEGB Cc1ccc2sc(NNC(=O)C3=COCCO3)nc2c1C 4121440 TUSTZXOADXGKIW-UHFFFAOYSA-N 305.359 2.244 50 40 DEGB COCCN1C(=O)C(C#N)=C(C)/C(=C/C=C/c2ccccc2)C1=O 16753087 AHJAEUZEZAQSKG-RKQKHZQPSA-N 322.364 2.481 50 40 DEGB COc1cccc(/C=N/NC(=O)c2c(C)nc3ccccn23)c1O 6210486 DWGUGJRNIMSGCS-VCHYOVAHSA-N 324.340 2.121 50 40 DEGB Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(N)=O)o2)n1 366454 XZEPOCHONVBTPU-UXBLZVDNSA-N 300.343 2.230 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)c(C)c1 6189772 MEIQBYJDOGZZNN-GIJQJNRQSA-N 314.341 2.244 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1OC 381392 WIIRQWPCHCKFHH-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB Cc1cc(C(=O)NNC(=O)c2cncn2-c2ccccc2)c(C)o1 15831724 NEHFTFJRCGEABJ-UHFFFAOYSA-N 324.340 2.157 50 40 DEGB CC(=O)Nc1cccc(C(=O)NNC(=O)c2ccccc2C)c1 12679822 KSUPGCYISLMZMM-UHFFFAOYSA-N 311.341 2.028 50 40 DEGB Cc1ccc(N2C(=O)C[C@H](I)C2=O)cc1 101157017 ZUZCJINXLBDDRS-VIFPVBQESA-N 315.110 2.062 50 40 DEGB O=[N+]([O-])[C@@H](Br)[C@H](c1ccccc1)N1CCOCC1 1675766 ILBXLZWSYARKRZ-NWDGAFQWSA-N 315.167 2.058 50 40 DEGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(F)cc2)o1 104399643 YPATXXZLWNXFLO-FLIBITNWSA-N 318.333 2.293 50 40 DEGB CCc1ccc(OCC(=O)NNC(=O)Nc2ccccc2)cc1 5477310 YTSZWHAPWWCVCL-UHFFFAOYSA-N 313.357 2.481 50 40 DEGB CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)CCl)C2CC2)C1 79392576 ODYROOPAJLQDKX-LLVKDONJSA-N 302.802 2.226 50 40 DEGB Cc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)nn1C 253394122 AIOMMNAPGRRBES-AWEZNQCLSA-N 312.373 2.179 50 40 DEGB CC1(C)O[C@H]2CO[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O1 169808144 GGUHPZSNQRVIAY-NNYUYHANSA-N 304.459 2.246 50 40 DEGB C#CCn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21 573300 OKUATVWESJTBCM-UDWIEESQSA-N 302.337 2.433 50 40 DEGB CCCCc1nc2c(o1)NC(N)=C(C#N)[C@]21CN2CCC1CC2 12410972 YVWWCVRMHUBXMX-QGZVFWFLSA-N 313.405 2.100 50 40 DEGB N#CC1=C(S)N(c2ccccc2)[C@@H](c2cccnc2)NC1=O 541324 ILGYPBMYZIFOQW-AWEZNQCLSA-N 308.366 2.382 50 40 DEGB O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)N1CCCC1 59515673 KOSWZWZAKXEEMX-LZYBPNLTSA-N 314.172 2.066 50 40 DEGB COC(=O)/C(O)=C1\C(=O)[C@]2(C)CC[C@H]1[C@@]2(C)CBr 4228220 VWPNDMWKMFEUNP-BSXMDDTESA-N 317.179 2.372 50 40 DEGB CC1=C(C#N)[C@](Nc2ccc(Cl)cn2)(C(F)(F)F)C(=O)N1 4718000 BMUWLHZLNFHEBV-LLVKDONJSA-N 316.670 2.375 50 40 DEGB O=C(CSc1nc2ccccc2[nH]1)N/N=C\c1ccncc1 28627914 NFZHWZFMXUIYCX-MFOYZWKCSA-N 311.370 2.200 50 40 DEGB O=C(N/N=C\c1cccnc1)c1cc(Br)ccc1O 30836008 XZJWMMVOHMNBGQ-PXNMLYILSA-N 320.146 2.314 50 40 DEGB Cc1cccn2c(=O)c(C=C(C#N)C#N)c(N3CCCCC3)nc12 239874 HLQCFDCPBUDNST-UHFFFAOYSA-N 319.368 2.424 50 40 DEGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(F)cc1 409149430 GAZSLMLJSWQRIL-UFWORHAWSA-N 315.304 2.117 50 40 DEGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(O)cc1 3202381 UMKKGYQOTXNDBP-RGVLZGJSSA-N 321.336 2.470 50 40 DEGB Cc1ccccc1NCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 98557 XROAXEAPISYVNJ-VCHYOVAHSA-N 312.329 2.465 50 40 DEGB Cc1ccccc1C(=O)NNC(=O)c1ccc(Br)o1 524798 PMNRBTWBIUAPQM-UHFFFAOYSA-N 323.146 2.425 50 40 DEGB COc1cc(Cl)cc(/C=N/NC(=O)c2ccccn2)c1O 2347041 TYULLELKTIAUHQ-CAOOACKPSA-N 305.721 2.213 50 40 DEGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccco1 5297492 XABXPFQVMBRXPF-CYBMUJFWSA-N 305.293 2.339 50 40 DEGB C[C@@H](Sc1ccccn1)C(=O)N/N=C/c1ccccc1O 5394051 PEJMDQHKCDIPQC-JDAJCMJVSA-N 301.371 2.418 50 40 DEGB COc1ccc(C)cc1NC(=O)C(=O)NN=C1CCCCC1 59434013 AMSRMFRJDQMJLP-UHFFFAOYSA-N 303.362 2.378 50 40 DEGB NC1=N/C(=N\NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 5241681 IPXVWBOQJWYPFX-UHFFFAOYSA-N 322.412 2.400 50 40 DEGB N#CCOc1ccccc1/C=N/NC(=O)CNc1ccccc1 44395818 CVXRNLNERQGVOI-UDWIEESQSA-N 308.341 2.151 50 40 DEGB O=C(N/N=C/c1ccccc1F)[C@H]1COc2ccccc2O1 197753 HVWJQXPIZDRWSY-QANDDYDISA-N 300.289 2.116 50 40 DEGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(C)c2C)cc1 582823 OSYNAOJOKBQJIA-VCHYOVAHSA-N 312.373 2.364 50 40 DEGB Cc1nc2cc(F)ccc2cc1C(=O)NNC(=O)CC(C)C 12742186 BFSAWNOIIPHVHT-UHFFFAOYSA-N 303.337 2.489 50 40 DEGB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1CC[C@H](Cl)[C@@H]2CC1 101046671 ZVKXEVYHEFWFRT-AGIUHOORSA-N 305.765 2.078 50 40 DEGB N#C/C(=C\c1ccc(Br)cc1)C(=O)N1CCOCC1 4723621 AMRZOBREJMWYCK-FMIVXFBMSA-N 321.174 2.215 50 40 DEGB COc1ccc(CC(=O)N/N=C/c2ccc(C)o2)cc1OC 5815086 NPYMZBZFYJJPRE-LICLKQGHSA-N 302.330 2.298 50 40 DEGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccs2)c1C 3663812 XMBWVCIVCCDUOX-CXUHLZMHSA-N 301.371 2.454 50 40 DEGB COc1cccc(C(=O)N/N=C\c2ccc(O)c(OC)c2)c1 105992586 UDVRMXSEPWQAKW-YVLHZVERSA-N 300.314 2.173 50 40 DEGB O=C(CNc1ccccc1)N/N=C/c1ccc(-n2ccnc2)cc1 7900078 JIKPVCVXPDCOPD-CIAFOILYSA-N 319.368 2.435 50 40 DEGB CCN(CC)C(=O)/C(C#N)=C/c1cc(OC)c(O)c([N+](=O)[O-])c1 64624586 MAZRYCCTAIVEQP-IZZDOVSWSA-N 319.317 2.084 50 40 DEGB in-vitro COc1cc(/C=N\NC(=O)c2ccc(F)cc2)cc(OC)c1O 30822018 WDPHQFZJQAQSMZ-NVMNQCDNSA-N 318.304 2.312 50 40 DEGB COc1ccc(NC(=S)NNC(=O)c2ccc(F)cc2)cc1 5798439 VYGJFCURRHKYPM-UHFFFAOYSA-N 319.361 2.466 50 40 DEGB CC1(C)CC(=O)C/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)C1 100033608 IMFHKLKTZZVNIH-WJDWOHSUSA-N 303.318 2.460 50 40 DEGB CC[C@H](Br)C(=O)NCCC(=O)Nc1ccccc1 8733000 YFDVNDKJYRQVKC-NSHDSACASA-N 313.195 2.305 50 40 DEGB N#Cc1ccc(OCC(=O)N/N=C2/CCc3ccccc32)cc1 13143759 YQHJLZVFEJBAQB-JZJYNLBNSA-N 305.337 2.404 50 40 DEGB CN(C)c1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1 39336877 OLPPUAPVIUVDMG-UHFFFAOYSA-N 304.394 2.029 50 40 DEGB NS(=O)(=O)c1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1 13945895 JTMKMDPOBFHJHC-ZDUSSCGKSA-N 324.789 2.253 50 40 DEGB COc1ccc(OC)c([C@H]2CC(=O)NC(SC)=C2C#N)c1 178152 QQTQWEXHIMBIPQ-SNVBAGLBSA-N 304.371 2.405 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 247301 RYUNQHHJJDVMAO-SCZPIIQISA-N 300.358 2.206 50 40 DEGB CC[C@@H](C[C@H](Br)C(=O)O)NC(=O)c1ccccc1 1677606 GGYHWMHDMJEGHN-QWRGUYRKSA-N 314.179 2.433 50 40 DEGB C/C(=N\NC(=O)COc1ccccc1F)c1ccc(O)cc1 57417160 CQVOWUKSWUIEPT-WOJGMQOQSA-N 302.305 2.451 50 40 DEGB CC1=NNC(=O)[C@H]1CCC(=O)N/N=C(/C)c1ccc(Cl)cc1 100686742 HVQZDETXEIIANU-OLWAXZHHSA-N 320.780 2.082 50 40 DEGB COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)CC#N 409237601 KCQTXOBPWSPERZ-LDADJPATSA-N 300.362 2.049 50 40 DEGB C[C@@]1(CBr)[C@H]2CC[C@@]1(CBr)C(=O)C2=O 222180054 VVGZRNFSODSHMS-WQGWLQIFSA-N 324.012 2.331 50 40 DEGB Cc1cnn(C)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253408630 YJUXIGVJOFMSHB-CYBMUJFWSA-N 312.373 2.179 50 40 DEGB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)/C(C#N)=C/C(C)C)C1 585290150 UGMSSBBKTXCZRC-YKOQKNPDSA-N 317.433 2.342 50 40 DEGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@@H]1c1ccncc1 5799518 JSGIUXPCRSRDPB-OAHLLOKOSA-N 317.304 2.406 50 40 DEGB COc1ccc(CC(=O)N/N=C(\C)c2ccc(O)cc2O)cc1 18276092 YTQAWRVHNQECQY-WOJGMQOQSA-N 314.341 2.189 50 40 DEGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(O)c1 38815 MYKDSCSTFOVSPC-CQSZACIVSA-N 300.314 2.037 50 40 DEGB COc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1 289929 WAXBSMRYWSCTCR-UHFFFAOYSA-N 304.733 2.423 50 40 DEGB Cc1ccc(NC(=S)NNC(=O)Cc2csc(C)n2)cc1 7561073 CRCIJRVDROVPLG-UHFFFAOYSA-N 320.443 2.320 50 40 DEGB CCN1CCC(=NNC(=O)COc2cc(C)ccc2C)CC1 57341900 RQDUIJGVXNLFLW-UHFFFAOYSA-N 303.406 2.270 50 40 DEGB CCCCN1C(=O)/C(=N/NC(=O)c2ccncc2)c2ccccc21 103380769 GQGBBYMJVRTIEZ-CAPFRKAQSA-N 322.368 2.362 50 40 DEGB Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(N)=O)c(C)n1CC(C)C 5180802 KTCHMLBNMUJSOP-BKNIFWKGSA-N 317.389 2.085 50 40 DEGB O=C1C=C(NNC(=O)Cc2ccccc2)C[C@H](c2ccco2)C1 408751498 QDINOBFCUKDNSX-AWEZNQCLSA-N 310.353 2.474 50 40 DEGB Cc1ccc(NCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 4711883 XIXBORNMVSSQAB-DJKKODMXSA-N 311.341 2.286 50 40 DEGB CC1(C)OB(c2ccc(C(=O)NCCCCl)cc2)OC1(C)C 2297736043 SQBSHAMXLRKNJL-UHFFFAOYSA-N 323.629 2.345 50 40 DEGB Cn1cc(C(=O)N/N=C/c2ccc(O)c(O)c2)c2ccccc21 493472 NPSQOXJFBTZLBO-GIJQJNRQSA-N 309.325 2.353 50 40 DEGB O=C(CN1CCCCCCC1)NNC(=O)c1ccc(Cl)cc1 3538914 RWNMHQVCGGOVEY-UHFFFAOYSA-N 323.824 2.367 50 40 DEGB O=C(Cc1ccc(F)cc1)NNC(=O)c1c(F)cccc1F 72271152 LOOZQRZUZOPBQT-UHFFFAOYSA-N 308.259 2.108 50 40 DEGB Cc1cc(C)n(CC(=O)NNC(=O)c2ccc3ccccc3c2)n1 6510429 XPSIAQGTZKQSRB-UHFFFAOYSA-N 322.368 2.114 50 40 DEGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccco1 4965437 UXMPVTIAOZIAGQ-RIYZIHGNSA-N 318.245 2.250 50 40 DEGB COc1cccc(CCC(=O)NNC(=O)c2cc(Cl)c[nH]2)c1 9996199 DRSFAMUNTRYENT-UHFFFAOYSA-N 321.764 2.071 50 40 DEGB COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(F)F 3173204 VIAWLXUVNGJMQN-UFWORHAWSA-N 321.283 2.456 50 40 DEGB C=CCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21 5685814 YPJYSLDHWUNIPV-MNDPQUGUSA-N 321.336 2.059 50 40 DEGB Cc1ccccc1C(=O)N/N=C/c1cccc(OCC(=O)O)c1 9201881 BZNJTEQLBGEDPI-VCHYOVAHSA-N 312.325 2.222 50 40 DEGB CC(=O)Nc1sc(C(=O)N/N=C/c2ccco2)c(C)c1C#N 408721440 HZLQBTFCPXSKQL-FRKPEAEDSA-N 316.342 2.244 50 40 DEGB C/C(=N\NC(=O)CNc1ccc2c(c1)OCO2)c1ccccc1 409179043 PNOYVOCHNKMCJA-XDHOZWIPSA-N 311.341 2.368 50 40 DEGB O=C(NNC(=S)NCCCc1ccccc1)c1cccs1 408588885 ZXNWLVNLVNLFHV-UHFFFAOYSA-N 319.455 2.490 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2)c([N+](=O)[O-])c1 220617 SKOAWUKHWUWCGT-LICLKQGHSA-N 313.313 2.432 50 40 DEGB O=C(N/N=C/C1CCCCC1)C(=O)N/N=C/C1CCCCC1 5829997 HULJRIHJZXXANM-JYFOCSDGSA-N 306.410 2.351 50 40 DEGB CC(C)(C)c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[nH]n1 342648 YWTGVTDRQNMDJR-CXUHLZMHSA-N 315.333 2.379 50 40 DEGB COCCOC(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1 27121609 KTUIEFICUWFXDU-CXUHLZMHSA-N 311.341 2.028 50 40 DEGB CN1CCC(=NNC(=O)c2ccc(Br)cc2)CC1 59413126 PDBHQXKYWUMSBW-UHFFFAOYSA-N 310.195 2.261 50 40 DEGB O=C(N/N=C/c1cccc(Cl)c1)C(=O)N1CCCCCC1 59459693 FXDYNZNSGMWKBF-GZTJUZNOSA-N 307.781 2.193 50 40 DEGB CN1CCO[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)C1 81244949 ZFVMOBGMFPMUPK-QGZVFWFLSA-N 311.385 2.187 50 40 DEGB O=C(O)c1ccc(/C=N\NC(=O)c2ccc3[nH]cnc3c2)cc1 32577016 FSOUDGFEZLSAHK-UWVJOHFNSA-N 308.297 2.025 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1 409002832 WQBFRUGVSXWADG-OQLLNIDSSA-N 302.290 2.018 50 40 DEGB COc1cccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c1OC 8168761 AJJQXHPBQADDQB-RVZJCZPVSA-N 323.352 2.461 50 40 DEGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1cccnc1 3157450 VFNBCMXKFLAZMB-FRKPEAEDSA-N 320.146 2.314 50 40 DEGB Cc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)s1 3475668 WNPTTZXLEFVQQH-UVYNJXETSA-N 302.355 2.347 50 40 DEGB CCOC(=O)C/C(C)=N/NC(=O)c1ccc(NC(=O)CC)cc1 4394121 YIKSGGDLJWRWRQ-WOJGMQOQSA-N 319.361 2.094 50 40 DEGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1O 7063916 CLXXVJBYQOSJDU-GHXNOFRVSA-N 316.357 2.375 50 40 DEGB CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)Cn1ccccc1=O)C2 57498983 GIZAGDIHSAEMMR-YVJSFIOCSA-N 301.390 2.167 50 40 DEGB CCc1ccc2c(c1)/C(=N\NC(=O)c1cccc(OC)c1)C(=O)N2 59472589 AWTHRXBVNSYBAP-UHFFFAOYSA-N 323.352 2.344 50 40 DEGB CS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc(Cl)cc1 96519013 VGHVMPZFSASTAZ-RKDXNWHRSA-N 313.600 2.139 50 40 DEGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(OC)c1 408805598 HEHVVYXDCLCVQN-IGVUGNCQSA-N 313.357 2.419 50 40 DEGB CNC(=N)Nc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 1748880 LRMMXGMZIMOVOF-UHFFFAOYSA-N 314.301 2.380 50 40 DEGB C/C(=N\NC(=O)Cc1nc2ccccc2n1C)c1ccc(N)cc1 23096824 WAIXCWRVOZUAAJ-CIAFOILYSA-N 321.384 2.238 50 40 DEGB C[C@@H](Oc1ccc(/C=N\NC(=O)c2cccs2)cc1)C(=O)O 33903221 SXOIZATZZXEPGH-MQHRVFIMSA-N 318.354 2.364 50 40 DEGB NNC(=O)c1ccc(COc2ccccc2Br)o1 115699 ULXNBBUIWLOIGX-UHFFFAOYSA-N 311.135 2.225 50 40 DEGB CCCCCCCC(=O)NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 100943771 MDVHGOHQCHRPDE-DHMWGJHJSA-N 322.405 2.017 50 40 DEGB COc1ccc(O)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 4699173 CQGMFICZAPFQPS-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB O=C(NNC1=NCCCCC1)C(F)(F)C(F)(F)C(F)(F)F 3207019 GVIYXAGLNHCQQX-UHFFFAOYSA-N 323.212 2.413 50 40 DEGB CC(C)(C)c1ccc(C(=O)NNc2ncnc3[nH]cnc23)cc1 16758165 SUSOPTJNIAXFNB-UHFFFAOYSA-N 310.361 2.407 50 40 DEGB CC(C)COc1ccc(/C=N\NC(N)=O)cc1Br 408604736 WLRPBTNOPCWNLK-UUASQNMZSA-N 314.183 2.486 50 40 DEGB C#CCOc1cccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1 409348672 OJMUOMIZLPZFMO-YBFXNURJSA-N 322.320 2.191 50 40 DEGB O=C(CCl)N(c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 40177449 OCTFGTWJDGHKNI-LLVKDONJSA-N 322.213 2.099 50 40 DEGB COc1ccc2c(c1)c(C#Cc1ccccc1)c(C(=O)NN)n2C 5331181 NYCLJNDWANMUCS-UHFFFAOYSA-N 319.364 2.190 50 40 DEGB O=C(Cc1cccc2ccccc12)NNC(=O)c1cccnc1 3071280 HIVNMTDNPGWJPG-UHFFFAOYSA-N 305.337 2.239 50 40 DEGB CSc1ncccc1C(=O)NNC(=O)c1ccc(C)cc1 515978 CHNVYHGRVOEKTB-UHFFFAOYSA-N 301.371 2.187 50 40 DEGB C=CCOc1ccccc1/C=C(\C#N)c1nc(N)nc(N(C)C)n1 11298130 VQVSHBQAFSNTIW-JLHYYAGUSA-N 322.372 2.149 50 40 DEGB O=C(N/N=C/c1ccc(Br)cc1)c1cnccn1 228550 KMRVSADFNHHSQW-FRKPEAEDSA-N 305.135 2.003 50 40 DEGB COCC(=O)N/N=C(\C)CC(=O)Nc1ccccc1C(C)C 4691394 FZIYKGPDTKXBLT-LDADJPATSA-N 305.378 2.277 50 40 DEGB C/C(=N/NC(=O)[C@@H]1COc2ccccc2O1)c1cccs1 192772 VPLHPUAPWNLBBF-ATTDUZETSA-N 302.355 2.428 50 40 DEGB CCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2cc(C)ccc21 8012513 YGIVYNOBYYSPIC-MNDPQUGUSA-N 323.352 2.201 50 40 DEGB CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2)cc1 16123733 DHPWRSDGMHRQSD-UHFFFAOYSA-N 318.398 2.433 50 40 DEGB N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(N)=O 408828774 JFYKQCCEJPVYHX-OVCLIPMQSA-N 322.320 2.356 50 40 DEGB CN1C(=O)/C(=C(/C#N)C(=O)Nc2cccc(O)c2)c2ccccc21 61720574 CNFXXCQMKIEJGE-PEZBUJJGSA-N 319.320 2.284 50 40 DEGB CCCCNc1ccccc1C(=O)OCC(=O)/C(C#N)=C(/C)N 104378630 FUHCFBOLWNCKPL-OWBHPGMISA-N 315.373 2.381 50 40 DEGB C/C(CC(=O)Nc1ccccn1)=N\NC(=O)c1cccs1 100522841 GTZJYZLRZFILHJ-LICLKQGHSA-N 302.359 2.278 50 40 DEGB Cc1nnc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)s1 2669891 GQRQVZLXWFZBPZ-BJMVGYQFSA-N 315.314 2.300 50 40 DEGB NC(=O)N/N=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 210989174 BWZXCYGWPCYYBY-SOFYXZRVSA-N 307.693 2.300 50 40 DEGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccncc2)c(O)c1 16679780 GWQPCBPAOAFXSJ-UNOMPAQXSA-N 312.373 2.397 50 40 DEGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1O 3080370 MYJBTVGTEYTUML-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB NC(=O)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2313849 NQBAOAOTIHKEJH-OMCISZLKSA-N 307.693 2.300 50 40 DEGB O=C(NNC(=O)c1cc(-c2ccccc2)on1)c1cccc(O)c1 9910208 JHLDCWFMVQXFOA-UHFFFAOYSA-N 323.308 2.122 50 40 DEGB O=C(CN(Cc1ccco1)C(=O)CCl)Nc1ccccc1 4219144 FUGCVNJWHBWSQC-UHFFFAOYSA-N 306.749 2.486 50 40 DEGB COC(=O)c1cc(NC(=O)C(Cl)Cl)cc(C(=O)OC)c1 67964 SACYVUMFJZVOJH-UHFFFAOYSA-N 320.128 2.002 50 40 DEGB COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)c1O 93758 UOBBPNBLZMDAFJ-MBNTZHJCSA-N 314.341 2.318 50 40 DEGB N#CC1=C(N)OC2=C(C(=O)CCC2)C12CCC1(CC2)OCCO1 550951 JGKBMNSFXVMQAF-UHFFFAOYSA-N 316.357 2.021 50 40 DEGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 28616279 GTLVIDHIVNSXBQ-PXNMLYILSA-N 313.269 2.087 50 40 DEGB COc1cc(C(=O)N/N=C(\C)c2ccco2)cc(OC)c1OC 4567728 KNYHPYOVGIKGAD-LICLKQGHSA-N 318.329 2.459 50 40 DEGB COCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Cl 408802737 GSEUXEUXKSQEKZ-IZZDOVSWSA-N 324.764 2.027 50 40 DEGB NS(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)Cl)o2)cc1 40542247 IQBVEUXZRMHPSU-XBXARRHUSA-N 311.746 2.373 50 40 DEGB N#Cc1nc(CBr)c(CBr)nc1C#N 158343 MNQCQOVTHVRUAE-UHFFFAOYSA-N 315.956 2.010 50 40 DEGB O=C(C[n+]1ccccc1)N/N=C/C(Cl)=C\c1ccccc1 6060090 VQLSFBBVOMPTIZ-KFGDLTOCSA-O 300.769 2.356 50 40 DEGB C/C(=N\NC(=O)Cc1c(O)n[nH]c1C)c1ccccc1Cl 5634657 PWHUCTKFFUFVSD-LZYBPNLTSA-N 306.753 2.160 50 40 DEGB CCN1C(=O)/C(=N/NC(=O)c2cccc(C)c2)c2ccccc21 5456101 OICLNYKOGUDSMS-KNTRCKAVSA-N 307.353 2.496 50 40 DEGB COC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)s2)CC(=O)N1 278845 UTDCBEQMGWEZCL-VIFPVBQESA-N 322.411 2.301 50 40 DEGB CC[C@]1(O)C[C@@]2(CCCC[C@@H]2I)OC1=O 1611653 JHYROJOLJZMOJT-INTQDDNPSA-N 324.158 2.191 50 40 DEGB O=C(N/N=C1\CCc2ccccc21)[C@@H]1COc2ccccc2O1 5164218 ABAMQGNQRUWWAT-WFVLPUPGSA-N 308.337 2.293 50 40 DEGB C[C@H]1CCC/C(=N\NC(=O)C(=O)N/N=C2\CCC[C@H](C)C2)C1 5529111 YZOLEUJPTISMDY-JDSJJLTLSA-N 306.410 2.351 50 40 DEGB Cc1cc(SCC(=O)NN)nc(-c2ccc(Cl)cc2)n1 225310981 QLXFEFNILGNSOW-UHFFFAOYSA-N 308.794 2.187 50 40 DEGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccoc2C)c1 508841 RATLWPVRZLXMCG-UHFFFAOYSA-N 302.330 2.045 50 40 DEGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccnc1 20813257 QHKDCMBIMYGDJG-ZDUSSCGKSA-N 301.371 2.270 50 40 DEGB CN(C)c1cccc(OCC(=O)N/N=C\c2ccsc2)c1 408997127 RJBZGIXWZKXBIH-SXGWCWSVSA-N 303.387 2.343 50 40 DEGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccnn1C(F)F 253394141 AKQRDPFIHBUJHZ-NSHDSACASA-N 306.272 2.093 50 40 DEGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1ccccc1F 5867233 DUQKODIHHWEBIZ-LZYBPNLTSA-N 303.249 2.203 50 40 DEGB COC(=O)/C(C#N)=C1\[C@@H]2CCC[C@@H]1C(SC)=C(C#N)C2=O 104834943 ZOFVKWAZZQWJRN-QYCKTSFUSA-N 302.355 2.119 50 40 DEGB COc1ccccc1C(=O)n1c(C)c(C(=O)NN)c2ccccc21 216955709 PYPIPNHMEXBRBS-UHFFFAOYSA-N 323.352 2.250 50 40 DEGB CCCCCCCC(=O)NNC(=S)NC[C@H]1CCCO1 97941795 ORGHBAZRQDILIU-GFCCVEGCSA-N 301.456 2.021 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 206954607 DWTCYOSFUOXPKX-UVTDQMKNSA-N 302.374 2.071 50 40 DEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@@H]2C1 13142308 XSXJDVWVGUKTNT-HUUCEWRRSA-N 321.409 2.103 50 40 DEGB Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c1 146540 UANDWRMQCHVDFY-UHFFFAOYSA-N 324.789 2.272 50 40 DEGB CC(C)O/C=C/[C@@H](C)[C@]1(C#N)C(N)=C(C=O)[C@@H](C)C1(C#N)C#N 20790408 VCSVNOWZBQTMRK-QITNZZKRSA-N 312.373 2.166 50 40 DEGB NC(=O)N/N=C\c1cccc(Oc2nc(Cl)ncc2F)c1 409063755 MTSDRUUXZFEQQZ-ZWSORDCHSA-N 309.688 2.064 50 40 DEGB CCOc1cc(C(=O)NN)ccc1OCc1ccc(F)cc1 216822760 QZIOURMZIJREME-UHFFFAOYSA-N 304.321 2.407 50 40 DEGB N#CC1=C(N)Oc2ccc3ccc(=O)oc3c2[C@H]1c1ccncc1 5799519 JSGIUXPCRSRDPB-HNNXBMFYSA-N 317.304 2.406 50 40 DEGB COc1ccc(CC(=O)N/N=C/c2ccccc2OCC#N)cc1 8117055 KAYWIBSIQZOFKR-DEDYPNTBSA-N 323.352 2.290 50 40 DEGB CCc1ccc2c(c1)/C(=N\NC(=O)c1ccc(OC)cc1)C(=O)N2 8446279 JNKHLVMRIBOLQV-UHFFFAOYSA-N 323.352 2.344 50 40 DEGB Cc1ccc(-c2c(CC(=O)NN)c(=O)[nH]c3ccccc23)cc1 97165839 FUBFCZWWOLLOTG-UHFFFAOYSA-N 307.353 2.036 50 40 DEGB N#Cc1ccccc1OCC(=O)NN=C1Cc2ccccc2C1 8401803 QUTIORZMQVTEAL-UHFFFAOYSA-N 305.337 2.208 50 40 DEGB Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1ccc(O)cc1)C2 409198281 BOQJKUJLQJIIMZ-AWQFTUOYSA-N 323.396 2.475 50 40 DEGB CSc1nc(N2CCCCC2)c2cc(C(=O)NN)sc2n1 137109088 KUYBAHCRXRKJJT-UHFFFAOYSA-N 323.447 2.007 50 40 DEGB N#C/C(=C\c1ccc(Br)c2nsnc12)C(=O)O 1776010869 FXGLPRRNBPNXHW-ZZXKWVIFSA-N 310.132 2.445 50 40 DEGB CC[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(Cl)cc2)C1 30142395 IOUKEVNELIRCBY-LBPRGKRZSA-N 323.824 2.223 50 40 DEGB Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)s1 20086834 YHRYLATWYPEWRH-CYBMUJFWSA-N 313.382 2.282 50 40 DEGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 203815 GCODKRONMMOXPJ-INIZCTEOSA-N 322.320 2.397 50 40 DEGB Cc1ccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)s1 102596859 ZCYXXKXKBFDQPI-GARJFASQSA-N 309.460 2.354 50 40 DEGB COc1ccc(C(=O)N/N=C(\C)c2cc(O)ccc2O)cc1 101579614 RGWUZFUWLQQXEO-LICLKQGHSA-N 300.314 2.260 50 40 DEGB O=C(NCCCCl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731819 LCNLTECGEVJFMU-SNVBAGLBSA-N 315.200 2.438 50 40 DEGB COc1ccc(CC(=O)N/N=C\c2ccc(C#N)cc2)cc1OC 409364651 OHGVVFWFZYNQCY-NDENLUEZSA-N 323.352 2.268 50 40 DEGB O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCS(=O)(=O)C1 42000014 SVXIPOHPBHYLCM-GHMZBOCLSA-N 323.505 2.004 50 40 DEGB COc1cccc(/C=N/NC(=O)c2c(C)nc3ccccn23)c1 6210482 SIASIKWBZWTFSI-WOJGMQOQSA-N 308.341 2.415 50 40 DEGB COC(=O)c1ccc(/C=N\NC(=O)COc2ccccc2)cc1 30802809 QMHSSARGQMSRER-WQRHYEAKSA-N 312.325 2.002 50 40 DEGB C/C(=N/NC(=O)COc1ccccc1C)c1cc(O)ccc1O 4402046 PFLNIQIXLVDYQU-PDGQHHTCSA-N 314.341 2.325 50 40 DEGB CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)c1ccccc1[N+](=O)[O-] 13154829 MQWSXNZOEWFCAT-FFCYNSPCSA-N 321.333 2.290 50 40 DEGB CC1(C)[C@]2(C)CC[C@]1(C(=O)NNc1ccccc1)C(=O)C2=O 100834610 MWKOPWFJYCNEMT-IAGOWNOFSA-N 300.358 2.094 50 40 DEGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccncc1 36196 UZDSAQRNPBYUMT-AWEZNQCLSA-N 316.320 2.141 50 40 DEGB COc1ccc(CC(=O)N/N=C(/C)c2cccnc2)cc1OC 6492689 TZHKGKUDCXTTEA-UNOMPAQXSA-N 313.357 2.182 50 40 DEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(O)c2)cc1C 7813136 XIPQOJQCURPIAF-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB Cc1ccsc1/C=N/NC(=O)C(=O)N[C@H](C)c1ccccc1 59435539 TWGJYIRXAKGBDC-YXHQGMJNSA-N 315.398 2.384 50 40 DEGB CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1ccccc1O 14181752 KTBMUIRNCCVDMQ-OAHLLOKOSA-N 314.341 2.011 50 40 DEGB C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1ccc(C(=O)O)cc1 4544363 ZPXJAEQAGHMQPG-MBNTZHJCSA-N 312.325 2.302 50 40 DEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccccc1O 409370353 PHTNBIFCGMFVOJ-XDHOZWIPSA-N 324.336 2.177 50 40 DEGB O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1cc(-c2ccccc2)[nH]n1 103318919 VDKGKGWJQLLWJS-FPMFFAJLSA-N 324.384 2.274 50 40 DEGB CCCCC(=O)NNS(=O)(=O)c1ccc2ccccc2c1 4833078 VMZCRTYDUHKZQS-UHFFFAOYSA-N 306.387 2.340 50 40 DEGB CCCC(CCC)=NNC(=O)C(=O)NCCc1ccccc1 59434356 GFLWIUCPEGVABB-UHFFFAOYSA-N 303.406 2.418 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1C(=O)O 59484946 RBTODOQMEVAYPU-VCHYOVAHSA-N 312.325 2.466 50 40 DEGB Cc1cc(C(=O)NNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cs1 102242120 YNXYZIQZCNXHFF-CKYFFXLPSA-N 309.460 2.354 50 40 DEGB CC/C(=N\NC(=O)c1ccncc1)c1ccc2c(c1)CC(=O)N2C 98055012 VLVLVOSSTURTPP-HMMYKYKNSA-N 322.368 2.145 50 40 DEGB O=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cccnc1 44293501 TXOATZJLNOBZKB-UHFFFAOYSA-N 314.732 2.291 50 40 DEGB C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])cs1 5007196 PEFBGUWDQURFNY-NCPSJORJSA-N 319.342 2.230 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 58779 BRROVUUIECBPRK-LICLKQGHSA-N 313.313 2.432 50 40 DEGB COc1cccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)c1 409068169 SWLIBRPXQRUMTB-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB Cc1ccccc1C(=O)NNC(=O)N(C)Cc1c(C)noc1C 50095725 KMRHQYWVLJZLKU-UHFFFAOYSA-N 316.361 2.086 50 40 DEGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(O)cc1O 257389 QOGIPODSDJXLOR-CAOOACKPSA-N 320.732 2.280 50 40 DEGB Cc1noc(C)c1CC(=O)N/N=c1/sc2ccccc2n1C 103717502 GDVYFBSMUMFFSE-BMRADRMJSA-N 316.386 2.019 50 40 DEGB CCOC(=O)C/C(C)=N\NC(=O)COc1c(C)cc(C)cc1C 408947141 AMPLRWDCWYQCOV-JXAWBTAJSA-N 320.389 2.436 50 40 DEGB O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccccc1F 45330942 FGRPZGNVDNZJKH-LZYBPNLTSA-N 303.249 2.203 50 40 DEGB C#CCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1OCC 3335253 OVSGNBGSKOMVBA-UDWIEESQSA-N 323.352 2.256 50 40 DEGB Cc1cc(/C=N/NC(N)=O)c(C)n1-c1cccc([N+](=O)[O-])c1 44546433 NLMAOECTEOCDJV-LZYBPNLTSA-N 301.306 2.005 50 40 DEGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(F)cc1 238981 NGIFMXNFMCMHGR-LICLKQGHSA-N 301.277 2.427 50 40 DEGB O=C(NNC(=O)c1ccn2cncc2c1)c1cccc(Cl)c1 89774571 RTIGTNMNKTVKJI-UHFFFAOYSA-N 314.732 2.063 50 40 DEGB Cc1cc(C(=O)NN)cc(C)c1OC(=O)c1ccccc1F 256052826 OVFPSUCJYNEZRF-UHFFFAOYSA-N 302.305 2.265 50 40 DEGB Cc1c(O)n[nH]c1C(=O)N/N=C/c1ccc(Cl)cc1Cl 6381880 PAAPEIUCTGWIBZ-PJQLUOCWSA-N 313.144 2.494 50 40 DEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 8973275 MLLUMRBQHHEENL-GFCCVEGCSA-N 316.382 2.322 50 40 DEGB CCCCNC(=O)C(=O)N/N=C/c1ccc(Cl)cc1Cl 59386551 XQQLYYJSJWFKMM-CAOOACKPSA-N 316.188 2.360 50 40 DEGB Cc1ccc(NNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1Cl 46119814 FELVUFIEMZGDJD-LBPRGKRZSA-N 321.808 2.350 50 40 DEGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc2[nH]cnc2c1 13635487 FNCMTJQTPCSTJV-QGMBQPNBSA-N 309.285 2.235 50 40 DEGB O=C(Cc1ccc(F)cc1)NNC(=O)NCc1ccc(F)cc1 9710911 ZYQRBUPLAOYBGE-UHFFFAOYSA-N 319.311 2.038 50 40 DEGB COc1ccc(-c2nc3cc(C(=O)NN)ccc3o2)cc1OC 216794317 NWMYOOGSNQZPMU-UHFFFAOYSA-N 313.313 2.116 50 40 DEGB CCS(=O)(=O)[C@H](Br)[C@@H](O)c1ccccc1C 96519122 QEJIFSDZZLYRNS-QWRGUYRKSA-N 307.209 2.184 50 40 DEGB Cc1ccc(OCC(=O)NNC(=O)/C=C/c2ccco2)cc1C 6205714 LKNRSLAIWDWXEP-BQYQJAHWSA-N 314.341 2.136 50 40 DEGB COc1ccc(CSCC(=O)N/N=C/c2cccnc2)cc1 59474314 YOOMCPJXFXHHLI-VCHYOVAHSA-N 315.398 2.474 50 40 DEGB CCCOc1ccccc1/C=C(\C#N)C(=O)N1CCOCC1 408600516 CGZUDIKHUHZVEY-NTCAYCPXSA-N 300.358 2.241 50 40 DEGB Cn1cccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 408968009 YMMUZNWXSYLJET-CXUHLZMHSA-N 312.285 2.443 50 40 DEGB CO[C@@H](C(=O)NNC(=O)CCc1ccccc1)c1ccccc1 4996255 WBVUFHPXWDASGT-QGZVFWFLSA-N 312.369 2.154 50 40 DEGB CCOC(=O)[C@H]1CCC/C1=N\NC(=O)[C@@H](OC)c1ccccc1 408719720 KQVXPYBHBIHHLE-ZEGZZBPUSA-N 318.373 2.210 50 40 DEGB N#CC1=C(N)NC([C-](C#N)C#N)=C(C#N)[C@@H]1c1ccccc1Cl 61868580 YWGOFIKXGRYJCY-AWEZNQCLSA-N 319.735 2.120 50 40 DEGB CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)COc1ccccc1C 4523806 OJBMNBIRBVYLEZ-RVAQLADHSA-N 320.389 2.455 50 40 DEGB CCCc1cc(C(=O)NNC(=O)c2cc(C)no2)sc1C 9954364 DLFWIUGDWSTPTE-UHFFFAOYSA-N 307.375 2.380 50 40 DEGB CCC(=O)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12 16806081 XNCZSAILULUWHO-UHFFFAOYSA-N 320.352 2.468 50 40 DEGB CCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1 136784 OLNHFFOVVAUTDN-UHFFFAOYSA-N 317.370 2.171 50 40 DEGB COc1cccc(/C=N/NC(=O)Cc2ccc(F)cc2)c1O 8523342 HAVNZBJJOBZQPC-VCHYOVAHSA-N 302.305 2.233 50 40 DEGB O=C1Nc2ccc(F)cc2/C1=N/NC(=O)c1c[nH]c2ccccc12 3306279 HOJBRYZKIANQDC-UHFFFAOYSA-N 322.299 2.393 50 40 DEGB N#CC1=C(S)NC(=O)[C@H]([n+]2ccccc2)[C@H]1c1cccs1 40233967 YPMFMKZDYHXALK-CHWSQXEVSA-O 314.415 2.155 50 40 DEGB C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1cccnc1 101904048 OFFNBFHHZNVHCJ-RGVLZGJSSA-N 314.320 2.355 50 40 DEGB COC(=O)/C(C#N)=C1/[C@H]2CC[C@H](C)[C@H]1C(=O)C(C#N)=C2SC 104834955 VTNUUNLCRFINGS-QHPRLBGFSA-N 316.382 2.365 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)NCCCn2ccnc2)cc1 12615157 XIPPHAPQXJBAEI-RVDMUPIBSA-N 310.357 2.005 50 40 DEGB CC(C)c1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1 59515558 QOGPOMLYFKASKX-WOJGMQOQSA-N 301.390 2.319 50 40 DEGB CCN(CC)C(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 59515667 MWPVMELYFNQIAD-LZYBPNLTSA-N 316.188 2.312 50 40 DEGB Cc1ccc(OCCOc2ccccc2/C=N/NC(N)=O)cc1 4196545 GKAUNKDIQNUBPC-XDHOZWIPSA-N 313.357 2.455 50 40 DEGB COc1ccc(NC(=S)NNC(=O)c2cccs2)cc1 8684377 CDMJIFSWLUXAQT-UHFFFAOYSA-N 307.400 2.388 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1O 408765674 NBADXCFHNOHTEX-VCHYOVAHSA-N 314.341 2.482 50 40 DEGB CC(C)(C)OC(=O)N(C[C@@H]1CCN(C(=O)CCl)C1)C1CC1 79408926 FDOOGKLEMHCWCJ-LLVKDONJSA-N 316.829 2.473 50 40 DEGB Cc1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1 5543190 SBFKASCCWMBKAE-LDADJPATSA-N 301.390 2.284 50 40 DEGB CC(C)[C@@H](Br)C(=O)N1CC(=O)Nc2ccccc21 20293530 FEDLSQZRFIEOEB-GFCCVEGCSA-N 311.179 2.391 50 40 DEGB in-vitro COc1ccc(CC(=O)NNC(=O)/C=C/c2ccccc2)cc1 142552 KAOYCVHFHSGZHG-FMIVXFBMSA-N 310.353 2.099 50 40 DEGB Cc1ccccc1OCC(=O)NNC(=O)c1cccc(Cl)c1 130127 UOMLPSYPLBJDRF-UHFFFAOYSA-N 318.760 2.488 50 40 DEGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccn1 59516109 QRBMPZOTVQGLBM-GIJQJNRQSA-N 316.748 2.132 50 40 DEGB CN(C)c1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 8323756 RAPWYDBECBQFCU-MHWRWJLKSA-N 306.369 2.371 50 40 DEGB O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1cccc(O)c1 103390503 LOYFLUBHRRACPS-LVZFUZTISA-N 316.316 2.180 50 40 DEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cccc(F)c1 57509125 CPLLOAQFHWRMRT-GFCCVEGCSA-N 312.728 2.236 50 40 DEGB Cc1cc(C(=O)NNC(=O)CSc2ccccc2)c(C)o1 3323910 SONXYBHZGIVORD-UHFFFAOYSA-N 304.371 2.450 50 40 DEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 5176870 UWWDRIKZQOWUNZ-LZYBPNLTSA-N 303.249 2.203 50 40 DEGB COc1ccc(/C=C/C(=O)NN)cc1OCc1cccc(F)c1 216901049 UQJVBRZEYMCMAY-SOFGYWHQSA-N 316.332 2.416 50 40 DEGB O=C(CCl)NC[C@@H]1CCCN1C(=O)OCc1ccccc1 79392611 IEOMKOYXRKLBCL-ZDUSSCGKSA-N 310.781 2.143 50 40 DEGB Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)o1 18102001 OUHTXNUSJAHKIG-CYBMUJFWSA-N 316.357 2.433 50 40 DEGB Cc1ccc2nc(C)c(C(=O)NNC(=O)c3ccc[nH]3)cc2c1 9752307 OHPUCHBFKIMPHY-UHFFFAOYSA-N 308.341 2.255 50 40 DEGB N#C/C(=C\c1cccn1-c1ccccc1)C(=O)N1CCOCC1 526069 SVNKBTNHQHGJQB-FYWRMAATSA-N 307.353 2.243 50 40 DEGB CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(C)=O)NC2=O)cc1 100431499 IEPIEQKNJGOACF-BXWAGETQSA-N 300.383 2.347 50 40 DEGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 8973274 MLLUMRBQHHEENL-LBPRGKRZSA-N 316.382 2.322 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cc2c(s1)CCCC2 104383593 NVWOOONYDRJBDU-LUAWRHEFSA-N 304.371 2.109 50 40 DEGB CO[C@H](C(=O)NNC(=O)CCc1ccccc1)c1ccccc1 4996253 WBVUFHPXWDASGT-KRWDZBQOSA-N 312.369 2.154 50 40 DEGB C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 27026193 RUPFHTLRSGLEJM-CDXFXEMCSA-N 315.329 2.138 50 40 DEGB COCCCNC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1 6372270 OLWFZAWMPHSFQV-XFXZXTDPSA-N 310.300 2.348 50 40 DEGB NC(=O)N/N=C1\C=C(c2ccccc2)[C@](O)(c2ccccc2)C1 4482987 XQEXACNRESQTEA-KETZHDHUSA-N 307.353 2.386 50 40 DEGB COc1ccc(CC(=O)N/N=C/c2cc(OC)ccc2O)cc1 8117050 IKFCWUADTYNTGU-WOJGMQOQSA-N 314.341 2.102 50 40 DEGB CC/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)OCCO2 13137077 CTBCYEGHYZPYLC-XMHGGMMESA-N 311.341 2.397 50 40 DEGB O=C(N/N=C\c1cc(Br)ccc1O)c1ccncc1 17289847 UFNBDHGHPMABQB-PXNMLYILSA-N 320.146 2.314 50 40 DEGB C/C(=N\NC(=O)c1sc(N)nc1C)c1ccc([N+](=O)[O-])cc1 4340107 OQHSZFGFZIVZDN-FRKPEAEDSA-N 319.346 2.096 50 40 DEGB C/C(=N/NC(=O)C(C)(C)O)c1cc(Cl)cc(Cl)c1O 32578410 WJXWCLVOEOVJOR-UUASQNMZSA-N 305.161 2.310 50 40 DEGB O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 27671 DWSZETYWEVWZRK-UHFFFAOYSA-N 319.704 2.323 50 40 DEGB COc1ccccc1C(=O)NNC(=O)c1cccc(Cl)c1 290226 LOXDIEKYHUBOLE-UHFFFAOYSA-N 304.733 2.423 50 40 DEGB CN(C[C@H]1CCCN(C(=O)CCl)C1)C(=O)OC(C)(C)C 79408765 KNMFGWUQKONSOU-LLVKDONJSA-N 304.818 2.331 50 40 DEGB N[C@H](Cc1ccc(O)cc1)C(=O)N/N=C/c1ccccc1Cl 1579900 PJJNFBSEUJKYHV-GDXCHIGESA-N 317.776 2.066 50 40 DEGB COC(=O)COc1ccc(/C=N\NC(=O)c2ccccc2)cc1 58882808 BWSJFONCXHKKGY-WQRHYEAKSA-N 312.325 2.002 50 40 DEGB CC[C@H](C)Nc1nc(Cl)nc(N(NC(C)=O)[C@@H](C)CC)n1 4863130 CFDYZVUJQWDKRD-IUCAKERBSA-N 314.821 2.391 50 40 DEGB CC[C@@H](C)Nc1nc(Cl)nc(N(NC(C)=O)[C@H](C)CC)n1 5791184 CFDYZVUJQWDKRD-RKDXNWHRSA-N 314.821 2.391 50 40 DEGB CO[C@@H](C(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1 59366777 PNYQLXDTNRSSMH-QAEAHILHSA-N 313.313 2.433 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc(F)cc1 96519111 UMAWIFMGGDUBJI-VHSXEESVSA-N 311.172 2.015 50 40 DEGB CCn1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1 253402799 OTGAIOZVZDNXOT-CQSZACIVSA-N 312.373 2.354 50 40 DEGB C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1cccc(C)c1 81244 SOPCSHLUPQLSAM-LFIBNONCSA-N 315.333 2.214 50 40 DEGB CCCCCC(=O)NNC(=O)CN1CCCc2ccccc21 31489884 XQOQOZQRPHOAPN-UHFFFAOYSA-N 303.406 2.167 50 40 DEGB CCCN1C(=O)/C(=N/NC(=O)c2ccc(C)nc2)c2ccccc21 18137601 BBAIZZWJHBEOGT-CAPFRKAQSA-N 322.368 2.281 50 40 DEGB O=C1OC(=O)[C@H]2[C@H]1[C@@H]1C=C[C@H]2C12C[C@@H]2[C@@H]1CC(F)(F)C1(F)F 98001156 WILPAPVUDZVAGG-GMMZIUTKSA-N 316.250 2.415 50 40 DEGB COc1cc(/C=N/NC(=O)c2ccccn2)cc(Cl)c1O 549426 ZPJDJWCJMQUXOC-CAOOACKPSA-N 305.721 2.213 50 40 DEGB CC(C)NC(=O)CC(=O)N/N=C\c1ccc(C(C)(C)C)cc1 83261566 CQPJXVLEHIYPGT-WQRHYEAKSA-N 303.406 2.349 50 40 DEGB Cc1ccc(N2C[C@@H](NC(=O)C(C)(C)CCl)CC2=O)cc1 5193599 ODVIIDDUEHXJPF-LBPRGKRZSA-N 308.809 2.482 50 40 DEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)C2CCCCC2)c1C 12679828 YPHIRHJTMMUTJW-UHFFFAOYSA-N 305.378 2.175 50 40 DEGB COc1ccc(CSCC(=O)NN=C2CCN(C)CC2)cc1 58189431 QRCGLQUXHMLVDB-UHFFFAOYSA-N 321.446 2.126 50 40 DEGB CNC(=O)/C(C#N)=C\c1cc(Br)c(N2CCCC2)o1 408856535 CHZAMHPAZYAPFM-TWGQIWQCSA-N 324.178 2.295 50 40 DEGB CCOC(=O)COc1ccccc1/C=C(/C#N)C(=O)NC(C)C 408783690 QBCCGCSTBRZZSJ-ZROIWOOFSA-N 316.357 2.060 50 40 DEGB CCN(CC)C1=NC(N)=C(C#N)[C@]1(C#N)[C@@]1(C)CCCCC1=O 78549830 FBQQSXMUTVCDRG-IRXDYDNUSA-N 313.405 2.094 50 40 DEGB CC(C)(C)OC(=O)N1CC(F)(CI)C1 95743053 ZJDAPUKBGDZCHT-UHFFFAOYSA-N 315.126 2.380 50 40 DEGB COc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1 252144 BTJZXIQFCZKPNW-VXLYETTFSA-N 301.321 2.397 50 40 DEGB CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1ccc(O)cc1 14187610 HFULIMHAYRWMQY-HNNXBMFYSA-N 314.341 2.011 50 40 DEGB Cc1sc2nc(CC(=O)NN=C3CCCC3)[nH]c(=O)c2c1C 8045581 VRPGLKWFTCTBBY-UHFFFAOYSA-N 318.402 2.190 50 40 DEGB O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)Nc1ccccc1 136963029 YITLUQRMTBMICX-DHDCSXOGSA-N 300.274 2.456 50 40 DEGB COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)ccc1O 73258038 XPLPPZLEYATMBG-SXGWCWSVSA-N 315.285 2.073 50 40 DEGB Cc1nc(-c2cccc(COc3ccc(C(=O)NN)cc3)c2)no1 225327912 IMVYUJCTTBXONG-UHFFFAOYSA-N 324.340 2.228 50 40 DEGB Cc1nc2ccc(C(=O)NNC(=O)C3CCCC3)cc2nc1C 47451591 JNFOHXMUGNHTDZ-UHFFFAOYSA-N 312.373 2.198 50 40 DEGB CCc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc1 358744 FKHCLQKSTCIJHT-VCHYOVAHSA-N 314.341 2.189 50 40 DEGB Cc1ccc(/C=N/NC(=O)COc2ccccc2)cc1[N+](=O)[O-] 382304 JTFZZQUBMILRDD-LICLKQGHSA-N 313.313 2.432 50 40 DEGB O=C(Cn1nnc2ccccc21)N/N=C/c1c[nH]c2ccccc12 252008 DBWBHVXDIDRXNF-VXLYETTFSA-N 318.340 2.063 50 40 DEGB O=C(CC[C@@H]1CCCCC12OCCO2)N/N=C/c1cccnc1 321780 QFQWEQWGTDZQNQ-SJPXOZHESA-N 317.389 2.245 50 40 DEGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)C1CC1 2741324 QBNHTNFGDLLKJW-LHHJGKSTSA-N 311.135 2.038 50 40 DEGB Cc1ccccc1C(=O)NC(=S)NNC(=O)c1cccs1 6504648 BJGMVDUCXXAWRM-UHFFFAOYSA-N 319.411 2.006 50 40 DEGB C/C(=N\NC(=O)c1ccccc1)c1c[n+]([O-])c2ccccc2n1 16137122 RUICJBPYVZJNCV-XDHOZWIPSA-N 306.325 2.022 50 40 DEGB COC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1 26468678 YHYUQHQOUXSXQE-ZDUSSCGKSA-N 319.232 2.013 50 40 DEGB CN(C)c1nc(N)nc(/C(C#N)=C\c2ccc(Cl)cc2)n1 48325185 NZPLIXXYARBUQC-YFHOEESVSA-N 300.753 2.237 50 40 DEGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)Nc1ccccc1 409072805 DQIKCWKSYNAQHH-DHDCSXOGSA-N 300.274 2.456 50 40 DEGB CCOc1ccccc1/C=N/NC(=O)CNC1CCCCC1 409382126 LCABYOOARCMUTL-XDHOZWIPSA-N 303.406 2.458 50 40 DEGB O=C(CNNC(=O)OCc1ccccc1)OCc1ccccc1 1563318 GSTDUNNEKICVOH-UHFFFAOYSA-N 314.341 2.161 50 40 DEGB CCC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 4852651 FMUJFNNGELIEGD-SSDOTTSWSA-N 305.161 2.318 50 40 DEGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(O)cc1 57415272 VHLLYJPVYYQPNA-GYKGCMEESA-N 312.325 2.072 50 40 DEGB Cc1ccccc1CN(C)C(=O)NNC(=O)c1ccoc1C 32795452 KFHAVFOQJDDGFM-UHFFFAOYSA-N 301.346 2.383 50 40 DEGB C/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccc(O)cc1 57410857 XOAWGZIOUWWKFH-XDHOZWIPSA-N 308.341 2.282 50 40 DEGB O=C(O)c1cccc(N[C@@H]2SC(=O)N(CCCl)C2=O)c1 12113038 SHIFLBMTWLOEOI-SECBINFHSA-N 314.750 2.057 50 40 DEGB Cc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)c(O)c1 206441 OALLJTDPDXBPOS-VCHYOVAHSA-N 312.325 2.236 50 40 DEGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] 1947422 DHGTUVGFUKBGLM-OQLLNIDSSA-N 314.257 2.267 50 40 DEGB N#CC1=C(N)NC([C-](C#N)C#N)=C(C#N)[C@H]1c1ccccc1Cl 61868579 YWGOFIKXGRYJCY-CQSZACIVSA-N 319.735 2.120 50 40 DEGB Cc1ccccc1OCC(=O)N/N=C/c1ccc2c(c1)OCO2 584691 VBJABQBJDZDUOB-GIJQJNRQSA-N 312.325 2.253 50 40 DEGB O=C(O)CS[C@H](NNC(=O)c1ccccc1)c1ccccc1 16758385 KYAJOSFNKVGVSM-INIZCTEOSA-N 316.382 2.438 50 40 DEGB COC(=O)c1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1 5527429 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Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccc(O)c3)n2c1 32125491 RWCJBPHKYDRKGI-GIJQJNRQSA-N 308.341 2.421 50 40 DEGB NNC(=O)COc1c(Cl)cc(Cl)cc1Br 226241024 JSQNDGAVFCELMS-UHFFFAOYSA-N 313.966 2.125 50 40 DEGB O=C(O)c1ccccc1N[C@H]1SC(=O)N(CCCl)C1=O 12113035 MIRMPTOVHQDWFA-VIFPVBQESA-N 314.750 2.057 50 40 DEGB C/C(N)=C(/C#N)C(=O)COC(=O)/C=C/c1ccccc1Cl 5360101 NVPKEGCZVXSNES-AOQSKOSGSA-N 304.733 2.222 50 40 DEGB COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Nc3oc(C)nc32)c1 125627 LIRBOBQVVQNQQG-CYBMUJFWSA-N 312.329 2.252 50 40 DEGB O=C(CNc1ccccc1)N/N=C/c1ccc2c(c1)OCCO2 3280295 VOOQHYHDUANLDB-YBFXNURJSA-N 311.341 2.020 50 40 DEGB Cc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccs2)cc1 12292660 CZXUDPHWWBQTMB-NSHDSACASA-N 304.371 2.285 50 40 DEGB COc1ccc(OCC(=O)N/N=C/c2ccccc2OC)cc1 499080 DWUKAFFKSKAYEN-WOJGMQOQSA-N 314.341 2.233 50 40 DEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccsc2)n1 8336705 SXCQNNKXALFQDN-MKMNVTDBSA-N 306.416 2.397 50 40 DEGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccnc1 3155840 DOFQOUZZQNFGPT-UHFFFAOYSA-N 310.140 2.463 50 40 DEGB 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CCCC/C(C)=N\NC(=O)C(=O)Nc1cc(OC)ccc1OC 59515795 YSYQKCGIMCNFAK-WQRHYEAKSA-N 321.377 2.325 50 40 DEGB O=C(N/N=C/c1ccccn1)C(=O)Nc1cccc2ccccc12 59516115 CWADVRVGYUJKJB-UDWIEESQSA-N 318.336 2.324 50 40 DEGB COC(=O)N/N=C/c1cc(Br)cc(Cl)c1O 4603107 VFTQRXSMDLHFBQ-UUILKARUSA-N 307.531 2.498 50 40 DEGB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(Cl)Cl)c1 5511369 YPAHBPWACDMOHZ-UHFFFAOYSA-N 320.128 2.002 50 40 DEGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1O 408764695 JUEDXVNBGACGGK-VCHYOVAHSA-N 314.341 2.482 50 40 DEGB N[C@H](CCc1ccc(N(CCCl)CCCl)cc1)C(=O)O 16090786 WBIFEHLOTPXXKS-CYBMUJFWSA-N 319.232 2.315 50 40 DEGB CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1 58883425 HXUCIMLVTBJGKX-XDHOZWIPSA-N 315.417 2.493 50 40 DEGB C/C(=N\NC(=O)CCN1CCCCC1)c1cc(C)ccc1O 21189322 IDOAAOREGZPPTR-NBVRZTHBSA-N 303.406 2.417 50 40 DEGB Cn1/c(=N\NC(=O)CC[C@@H]2CCCO2)sc2ccccc21 104456088 KJAFQHZLKGAGRN-NRYCMEERSA-N 305.403 2.131 50 40 DEGB CCNC(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C 59109276 JHWQTDYCTZHSKL-LRQZKABGSA-N 301.390 2.327 50 40 DEGB O=C(CN1CCCCC1)N/N=C/c1c(O)ccc2ccccc12 408783377 OIMSVFRCUJGONP-XDHOZWIPSA-N 311.385 2.481 50 40 DEGB O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccccc1F 33092 LUMBDDWEJTUUIJ-RQZCQDPDSA-N 317.276 2.263 50 40 DEGB CCCCC[C@H](O)CCC(=O)N/N=C1/C(=O)Nc2ccccc21 5825031 JQAPLOBVAMVUAN-LBPRGKRZSA-N 317.389 2.180 50 40 DEGB CC(=O)c1c(NNC(=O)c2ccc(C)cc2)oc(C)cc1=O 4604678 ILNBNGNGAGPBPE-UHFFFAOYSA-N 300.314 2.216 50 40 DEGB O=C(CCl)N1CCN(Cc2c(F)cccc2Cl)CC1 12504850 HXWMISNOXRZGTI-UHFFFAOYSA-N 305.180 2.362 50 40 DEGB in-vitro COc1ccccc1/C=N/NC(=O)Cc1ccc2c(c1)OCO2 409161652 OHZDPQHBTREPCZ-VCHYOVAHSA-N 312.325 2.117 50 40 DEGB CCOc1cc(/C=C(\C#N)[C@H](N)C(C#N)C#N)cc(Cl)c1O 22239214 RQDPHSZAVBRISY-JBJDWBBVSA-N 316.748 2.342 50 40 DEGB COC(=O)[C@H]1C[C@@H]2CN(Cc3ccccc3)[C@@H]1[C@@H]2Br 100019339 YNHAMFHSZCNLPH-RQJABVFESA-N 324.218 2.443 50 40 DEGB CC1(C)[C@@]2(C(=O)N/N=C/c3ccc(O)cc3)CC[C@@]1(C)[C@@H](O)C2 100867361 BUACLTUPCYMJFI-FYFBGMKBSA-N 316.401 2.420 50 40 DEGB COC(=O)[C@@H](Br)[C@H](C(=O)OC)c1ccc(C)cc1 32235631 HXZXTWVVTRPMGJ-MNOVXSKESA-N 315.163 2.188 50 40 DEGB Cc1ccccc1OCC(=O)n1cc(C(=O)NN)c2ccccc21 216723687 GLDOPWYOWYBSQY-UHFFFAOYSA-N 323.352 2.272 50 40 DEGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cccnc1 9088021 DZZQEEYPHJGNSZ-CQSZACIVSA-N 316.320 2.141 50 40 DEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 7782399 CUUJMBWIXSYBER-XUNMKLQISA-N 316.188 2.358 50 40 DEGB O=S(=O)(c1ccc(Cl)cc1)N1CC[C@@H](Br)C1 28294347 XYMYPACQKWIRPX-MRVPVSSYSA-N 324.627 2.498 50 40 DEGB Cc1ccc([C@H]2[C@@H]3COCC=C3C(C#N)=C(N)C2(C#N)C#N)o1 377493 DAPRRNFLTZRANJ-UKRRQHHQSA-N 306.325 2.028 50 40 DEGB CCCC(CCC)=NNC(=O)Cn1nnc(-c2ccccc2)n1 6287236 KMSCKRGNDLIOSV-UHFFFAOYSA-N 314.393 2.413 50 40 DEGB O=C(CCO)NNC(=O)Nc1ccc(Oc2ccccc2)cc1 95942359 UNWBYUAEDUBFDG-UHFFFAOYSA-N 315.329 2.014 50 40 DEGB Cc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1 32116916 UUGOMZCDYAQXSI-STZFKDTASA-N 323.396 2.194 50 40 DEGB O=C(N/N=C/c1ccc(Br)o1)[C@H](O)c1ccccc1 487242 ROXYAJWKHDZBDO-AZZDOICSSA-N 323.146 2.226 50 40 DEGB COc1cccc(/C=N/NC(=O)c2ccccc2O)c1OC 3575131 XILGYUZWRMRZKD-LICLKQGHSA-N 300.314 2.173 50 40 DEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cccc(F)c2)n1 8336702 ODYQDZVTNGNCAK-CAOOACKPSA-N 318.377 2.475 50 40 DEGB O=C(CBr)NCCCCc1ccc(C(=O)O)cc1 1703694 WZQJLTLURXNPQG-UHFFFAOYSA-N 314.179 2.219 50 40 DEGB CCC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 4852653 FMUJFNNGELIEGD-ZETCQYMHSA-N 305.161 2.318 50 40 DEGB COc1cccc(/C=N\NC(=O)c2ccc(C#N)cc2F)c1O 408965476 HQPWIPKAQLDRNL-OCKHKDLRSA-N 313.288 2.175 50 40 DEGB CCSC1=C(C#N)[C@@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409122616 AGRTUJYPXXQKTD-CHWSQXEVSA-N 316.382 2.177 50 40 DEGB O=[N+]([O-])c1ccc(N/N=C/CBr)c([N+](=O)[O-])c1 5344251 LSVYYDFLTYWRTA-ONNFQVAWSA-N 303.072 2.296 50 40 DEGB NNC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2)c2ccccc2O1 225331133 BULAJKAMCNZVMM-HNNXBMFYSA-N 317.776 2.098 50 40 DEGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2O)c1C 3148384 ODWMWDGZXHFPDN-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB Cc1ccc2[nH]c(=O)c(/C=N/NC(=O)c3ccccc3)c(O)c2c1 5387314 JRBBXIJONXOZOV-VXLYETTFSA-N 321.336 2.306 50 40 DEGB Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccc(C)c2)c1 44460 LEURWGUPAPINDN-UHFFFAOYSA-N 312.369 2.452 50 40 DEGB O=C(N/N=C\c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)OCO2 4615034 OPFSLYMCFPFTGX-NSIKDUERSA-N 319.298 2.149 50 40 DEGB COc1cccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])s2)c1 83294557 ZIEWNFMIJDNXOT-ZSOIEALJSA-N 305.315 2.429 50 40 DEGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 28152 XLJMHSDXIZKTAU-LZYBPNLTSA-N 313.269 2.087 50 40 DEGB CN1C=CC2=C(C#N)[C@@H](N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2C1 971477 PFPORCXOCGBIOO-FGTMMUONSA-N 315.380 2.040 50 40 DEGB C[C@@H](Sc1ccccn1)C(=O)NNC(=O)c1ccccc1 7371042 GWSBMEKNBWFDPP-LLVKDONJSA-N 301.371 2.023 50 40 DEGB COC(=O)/C(C#N)=C1\[C@H]2CCC[C@H]1C(SC)=C(C#N)C2=O 104834949 ZOFVKWAZZQWJRN-JARRNNGKSA-N 302.355 2.119 50 40 DEGB CCc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(C)cc2)cc1 4113753 IQBRCAKDOSPWER-FYJGNVAPSA-N 323.396 2.324 50 40 DEGB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1CC[C@H](Cl)[C@H]2CC1 45070889 ZVKXEVYHEFWFRT-FRRDWIJNSA-N 305.765 2.078 50 40 DEGB CC1(C)C(=O)[C@@]2(Br)CC[C@]1(C=O)[C@@H]2Br 85398842 BHBBKYJAFTZJJA-JMOVZRAMSA-N 324.012 2.472 50 40 DEGB COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H](C)Cl 96029375 RMJKTPPNLNJBLC-SSDOTTSWSA-N 301.726 2.056 50 40 DEGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3097452 WRPQZAZTHSZTQO-CXUHLZMHSA-N 313.269 2.057 50 40 DEGB COc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1O 436981 FFVDOLVOUUJERU-VXLYETTFSA-N 313.357 2.271 50 40 DEGB C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cc(O)ccc1O 13321770 HSRSCSKEVPUJRI-CXUHLZMHSA-N 315.285 2.160 50 40 DEGB CC(/C=N/NC(=O)CNC(=O)c1ccco1)=C\c1ccccc1 5220699 DJOBWICYMBULII-MINACNRQSA-N 311.341 2.215 50 40 DEGB CC[C@@H](C)C(=O)NNC(=O)C1(c2cccc(F)c2)CCOCC1 71922061 UJXLVHWUVGUAQV-GFCCVEGCSA-N 322.380 2.067 50 40 DEGB N#C[C@H](NNC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 1633704 CLMMKPJCFHIAFW-HNNXBMFYSA-N 310.313 2.023 50 40 DEGB Cn1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)cn1 44891744 YEJWPMYXEPUDBJ-GIJQJNRQSA-N 308.341 2.102 50 40 DEGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccncc1 36290040 XLSYJLZXCRIIDF-XDHOZWIPSA-N 315.402 2.121 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(O)c1 409391200 HTRCJTWIXQMBAC-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 109035978 QHYGOFOZJQEBAS-PTNGSMBKSA-N 316.401 2.461 50 40 DEGB O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccnc1 4702561 RZQQXRPTKMYNIS-FRKPEAEDSA-N 320.692 2.113 50 40 DEGB COc1cccc(C(=O)N/N=C\c2ccc(OC)cc2OC)c1 5918570 LKZZYVWJNXBOLX-WQRHYEAKSA-N 314.341 2.476 50 40 DEGB N#C/C(=C/Nc1ncccn1)S(=O)(=O)c1ccc(Cl)cc1 94900 NFVICGVEOQRBCT-XFXZXTDPSA-N 320.761 2.381 50 40 DEGB O=C(NCCCl)C1CCN(C(=O)OCc2ccccc2)CC1 5947035 HQQPQZMBKATFEK-UHFFFAOYSA-N 324.808 2.390 50 40 DEGB Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1ccccn1 7038659 GWGCZKQCPMMLAN-UHFFFAOYSA-N 322.324 2.120 50 40 DEGB COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 108112735 CYQJHEXSLJZDSC-BOPFTXTBSA-N 313.313 2.296 50 40 DEGB COC(=O)/C(O)=C1/C(=O)[C@@]2(C)CC[C@H]1[C@@]2(C)CBr 100746672 VWPNDMWKMFEUNP-BWMVEVMOSA-N 317.179 2.372 50 40 DEGB COC(=O)c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1 96313858 FAHRSFJOGCAQBD-UKTHLTGXSA-N 310.309 2.290 50 40 DEGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1 18137348 DWGQGBZRASMHMG-OAHLLOKOSA-N 323.352 2.300 50 40 DEGB Cc1cccn2c(=O)c(C=C(C#N)C#N)c(N3CCCC3)nc12 3178046 LZOBYDRCNSHXMN-UHFFFAOYSA-N 305.341 2.034 50 40 DEGB CCOc1cccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c1 44023094 VDVQVNWFJRQYCI-SCZPIIQISA-N 300.358 2.287 50 40 DEGB C=CCc1cc(/C=N\NC(=O)c2ccncc2)cc(OC)c1O 98038124 SAUXDVNABABFQN-ODLFYWEKSA-N 311.341 2.288 50 40 DEGB CCS(=O)(=O)[C@@H](Br)[C@H](O)c1ccccc1C 96519121 QEJIFSDZZLYRNS-GHMZBOCLSA-N 307.209 2.184 50 40 DEGB C/C(NCc1cccnc1)=C(/C#N)C(=O)NCc1ccccc1 100385183 HHNLAFPJZMKBRQ-SAPNQHFASA-N 306.369 2.285 50 40 DEGB CCOC(=O)NNC(=O)c1cnn(-c2ccccc2)c1C1CC1 30578915 YQMRFJSLEWOSCA-UHFFFAOYSA-N 314.345 2.141 50 40 DEGB COc1ccc(CN(C)C(=O)NNC(=O)c2ccoc2C)cc1 32795454 YZKYKVZWFCLYLM-UHFFFAOYSA-N 317.345 2.083 50 40 DEGB Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1cccc(C(=O)O)c1 550299 NAJYNXFYRJNFDK-VXLYETTFSA-N 324.340 2.156 50 40 DEGB O=C(NNC(=O)c1cccs1)c1cc(-c2ccccc2)n[nH]1 12538440 JDBASHYSXZHOJT-UHFFFAOYSA-N 312.354 2.213 50 40 DEGB COC(=O)/C(O)=C1/C(=O)[C@]2(C)CC[C@H]1[C@@]2(C)CBr 100746670 VWPNDMWKMFEUNP-AUPZDIRCSA-N 317.179 2.372 50 40 DEGB CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(C)=O)NC2=O)cc1 13120123 IEPIEQKNJGOACF-DSDLTIFZSA-N 300.383 2.347 50 40 DEGB CCc1n[nH]c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2 101102 PFFNRLQNAIFNCF-AWEZNQCLSA-N 309.373 2.256 50 40 DEGB Cc1ccccc1NCC(=O)N/N=C/c1ccc2c(c1)OCO2 261616 FSCHRJLAHMPTIE-DJKKODMXSA-N 311.341 2.286 50 40 DEGB [BH3-][P+](c1ccccc1)(c1ccccc1)c1cccc(OC)c1 219785756 MTXHDDQKHZAASW-UHFFFAOYSA-N 306.154 2.270 50 40 DEGB CC(C)(CCl)C(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 5220765 UHKBXAUIMITNOB-LLVKDONJSA-N 312.772 2.312 50 40 DEGB CCOc1ccc(-c2nnc(NC(=O)NCCCl)o2)cc1 2663416 JPFYJWWBHBMROG-UHFFFAOYSA-N 310.741 2.496 50 40 DEGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1 13955576 SZYOWSGUTSCPGQ-WOJGMQOQSA-N 312.329 2.260 50 40 DEGB CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1cccnc1)C(=O)N2 7785071 BPNABILIFKHNHZ-UHFFFAOYSA-N 308.341 2.291 50 40 DEGB C/C(=N\NC(=O)c1cc(O)ccc1O)c1ccc([N+](=O)[O-])cc1 17053066 IPRUWWZAQGYFLK-CXUHLZMHSA-N 315.285 2.160 50 40 DEGB CN(C)c1nc(N)nc(/C(C#N)=C/c2c(F)cccc2Cl)n1 11297765 ONZHMTOCDJVTOO-SOFGYWHQSA-N 318.743 2.376 50 40 DEGB Cc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] 6548282 ODGGJSAAZMXDQU-UHFFFAOYSA-N 317.276 2.117 50 40 DEGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 408971113 MHYBZLCCIZMMTA-SEYNJHBTSA-N 315.295 2.070 50 40 DEGB CCCCCCCC(=O)NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100943762 MDVHGOHQCHRPDE-JURCDPSOSA-N 322.405 2.017 50 40 DEGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccnc1 4918106 FHNCETLQKZRZSH-LZYBPNLTSA-N 304.693 2.407 50 40 DEGB Cc1ccc(NCC(=O)NNC(=S)NC(C)(C)C)cc1C 408585005 AGVJUJMIVIRYGQ-UHFFFAOYSA-N 308.451 2.009 50 40 DEGB C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1cc(O)ccc1O 408947811 BJDATDTWBHLSAC-WOJGMQOQSA-N 313.357 2.318 50 40 DEGB COC(=O)[C@H](c1ccc(C)cc1)[C@@H](Br)C(=O)OC 32235633 HXZXTWVVTRPMGJ-GHMZBOCLSA-N 315.163 2.188 50 40 DEGB Cc1nn(C)cc1/C=N/NC(=O)[C@H](C)Nc1cccc(Cl)c1 126367 HVUQNVVYUXCWPG-CPWFCVNUSA-N 319.796 2.333 50 40 DEGB CCN(CC)c1ccc(/C=N/NC(=O)CN2CCCC2)cc1 3011465 UBXOLULTTJYTPK-QGOAFFKASA-N 302.422 2.079 50 40 DEGB CC[C@H](C[C@@H](Br)C(=O)O)NC(=O)c1ccccc1 1677609 GGYHWMHDMJEGHN-GHMZBOCLSA-N 314.179 2.433 50 40 DEGB N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nn1cnnc1 242271 FRVMKXGHMOBBFW-MDWZMJQESA-N 305.297 2.215 50 40 DEGB CN1CC=C2[C@H](C1)[C@@H](c1ccccc1)C(N)=C(C#N)C2(C#N)C#N 125482 OVTNXUYSDQOCHT-WMLDXEAASA-N 315.380 2.042 50 40 DEGB C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccccc1N 6951995 JCOCFYVDSWWLJZ-UDWIEESQSA-N 323.352 2.053 50 40 DEGB Cc1nnsc1C(=O)N/N=C/c1c(O)ccc2ccccc12 256055282 ARJHSJXWQSNDOE-LZYBPNLTSA-N 312.354 2.469 50 40 DEGB COc1ccc(C(=O)N/N=C/c2cc(OC)ccc2OC)cc1 5359179 SJZNYXJTERDFBK-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB NC(=O)N/N=C1\C[C@H]2c3ccccc3CCN2C2=C1C(=O)CCC2 12657702 GRBGPQJLOIFVKS-NPRIEWAGSA-N 324.384 2.021 50 40 DEGB biogenic COc1ccc(C(=O)NNC(=O)c2cccc(C)c2)cc1OC 281960 WYDLBIOKBTXVJO-UHFFFAOYSA-N 314.341 2.087 50 40 DEGB CCn1ncc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1C 17031743 SEYCVYLCNRPVNW-LFIBNONCSA-N 308.385 2.477 50 40 DEGB COc1ccc(/C(C)=N\NC(=O)c2ccc(N)cc2)c(OC)c1 258835 XUWFICKNSARJBR-ODLFYWEKSA-N 313.357 2.440 50 40 DEGB Cc1nnsc1C(=O)N/N=C/c1ccc2ccccc2c1O 497125 WPHMUUAOLOLBMV-LZYBPNLTSA-N 312.354 2.469 50 40 DEGB Cc1ccc(N2C(=O)C[C@@H](I)C2=O)cc1 1806648 ZUZCJINXLBDDRS-SECBINFHSA-N 315.110 2.062 50 40 DEGB C/C(CC(=O)NCCc1ccccc1)=N\NC(=O)c1ccco1 100530206 HXOWXGCYLCJIHX-CPNJWEJPSA-N 313.357 2.134 50 40 DEGB COc1cc(Br)ccc1-c1ccc(C(=O)NN)o1 57353756 CZSSGHBIFYDLPV-UHFFFAOYSA-N 311.135 2.321 50 40 DEGB O=C(N/N=C/c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1 486700 JYYGMWFZPTUTOX-LZYBPNLTSA-N 304.693 2.407 50 40 DEGB CCOC(=O)NNS(=O)(=O)c1ccc([C@H](C)CC)cc1 12787927 IOUFSWWRPYYAOF-SNVBAGLBSA-N 300.380 2.140 50 40 DEGB COc1ccc2cc(/C=N/NC(=O)CC#N)c(Cl)nc2c1 5918510 DGMVKCSHUROVPO-CAOOACKPSA-N 302.721 2.261 50 40 DEGB CCSC1=C(C#N)[C@H](c2ccccc2)[C@@H](C(=O)OC)C(=O)N1 409122620 AGRTUJYPXXQKTD-QWHCGFSZSA-N 316.382 2.177 50 40 DEGB CS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc(Cl)cc1 96519015 VGHVMPZFSASTAZ-DTWKUNHWSA-N 313.600 2.139 50 40 DEGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1cc(O)ccc1O 13302929 LDBPMLPKSFCCDS-SXGWCWSVSA-N 315.285 2.160 50 40 DEGB Cc1ccc(NCCC(=O)NNC(=O)Cc2ccccc2)cc1 3366385 CLJXDSZKQNQEIU-UHFFFAOYSA-N 311.385 2.187 50 40 DEGB O=C(N/N=C/c1ccc2nccnc2c1)c1ccc([N+](=O)[O-])cc1 5451626 QDFNLZSGWULIBU-VXLYETTFSA-N 321.296 2.302 50 40 DEGB O=C(Cn1ccc2ccccc21)NNC(=O)c1cccc(F)c1 4678064 UBLHVOUJPDQWQM-UHFFFAOYSA-N 311.316 2.242 50 40 DEGB COC(=O)N/N=C/c1cc(Cl)cc(Br)c1O 4676090 OOTWBKVSUDBFNF-UUILKARUSA-N 307.531 2.498 50 40 DEGB O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccs1 481951 DDJYBJUFKTVZMP-MKMNVTDBSA-N 319.298 2.149 50 40 DEGB N#C/C(=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)C(N)=O 4525773 AIGFXBOXYUWDPD-UITAMQMPSA-N 318.695 2.454 50 40 DEGB C[C@H](NC(=O)C(=O)N/N=C/c1cccs1)c1ccccc1 3080070 VYIXMDYZMPEBQV-YAFRSCOQSA-N 301.371 2.076 50 40 DEGB C=CCNC(=O)[C@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 100834618 JRRPIBNLDTXMLD-IIMNLJJBSA-N 314.223 2.448 50 40 DEGB O=C(CCl)NCCN1C(=O)S/C(=C/c2ccccc2)C1=O 3319126 XOHFNPGYPTUMHV-DHZHZOJOSA-N 324.789 2.078 50 40 DEGB O=C(Cn1cnc(Cl)c1Cl)N/N=C/c1ccsc1 160935 FZNJKAPBDDXUJZ-LZWSPWQCSA-N 303.174 2.402 50 40 DEGB O=C1C=C(NNC(=O)c2cccnc2)C[C@@H](c2ccccc2)C1 52144 JMOJHGDNHSZMJD-OAHLLOKOSA-N 307.353 2.347 50 40 DEGB Cc1ccc(NCC(=O)N/N=C/c2ccccc2C(=O)O)cc1 13337929 TYOGVMVAOXYWNL-VXLYETTFSA-N 311.341 2.255 50 40 DEGB CC/C(=N\NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1 13785038 ULBLRIDZURVMOL-XSFVSMFZSA-N 322.372 2.285 50 40 DEGB N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)NC1CCCC1 38704501 RQBGWCZZUOSNTL-QBFSEMIESA-N 315.373 2.082 50 40 DEGB COc1cccc(C(=O)N/N=C/c2cccc3c2OCCO3)c1 408877324 UTFLFVDKPRXDQD-WOJGMQOQSA-N 312.325 2.230 50 40 DEGB O=C(N/N=C/c1ccccc1)c1c(O)c2ccccc2oc1=O 5637246 SWFUYZCIRVRDLC-VCHYOVAHSA-N 308.293 2.263 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)Cc1coc2cc(C)ccc12 96505292 VGZDXCDITVWVSG-KAMYIIQDSA-N 312.325 2.152 50 40 DEGB C=CCN1C(=O)/C(=N\NC(=O)Cc2ccccc2)c2ccccc21 96817295 OBGPOAPVMRVLCH-UZYVYHOESA-N 319.364 2.282 50 40 DEGB C=CCOc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1 408719297 BLCIKLVOCGMXEO-QGOAFFKASA-N 301.390 2.187 50 40 DEGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C(C)C)[C@@H]2C1 804148 CBJHMVJKCOQIPV-CVEARBPZSA-N 309.417 2.310 50 40 DEGB O=C(CCl)NCCN1C(=O)S/C(=C\c2ccccc2)C1=O 3319128 XOHFNPGYPTUMHV-FLIBITNWSA-N 324.789 2.078 50 40 DEGB CCN(CC)C(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F 15231225 QLMJMFACHDXMTM-GIJQJNRQSA-N 315.295 2.024 50 40 DEGB NC(=O)N/N=C(/c1cc(Cl)ccc1N)c1ccccc1F 5897658 ZWHXZKXCMTXGAY-CPNJWEJPSA-N 306.728 2.482 50 40 DEGB CCCc1[nH]nc2c1[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2 7078091 JBRZKMSFRFPSGF-CQSZACIVSA-N 324.340 2.309 50 40 DEGB CC[C@H]1C(C#N)=C(SCC(N)=O)NC2=C1C(=O)CC(C)(C)C2 501008 XRAJNNDGONCGEO-VIFPVBQESA-N 319.430 2.213 50 40 DEGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccnc1 502071 OYOXLFFUKPQBPA-RQZCQDPDSA-N 312.354 2.465 50 40 DEGB C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1csc(N)n1 54279641 QQLLRSBEKYRKFJ-WOJGMQOQSA-N 318.402 2.261 50 40 DEGB CC[C@]12OC(=O)C(=O)N1c1ccc(Cl)nc1S[C@H]2Cl 2361844 CYEJWEDDSCLURF-GHMZBOCLSA-N 319.169 2.402 50 40 DEGB O=C(NNC(=O)c1csc(-c2ccccc2)n1)c1cccnc1 12916589 XNAJEBGFHPPJRI-UHFFFAOYSA-N 324.365 2.280 50 40 DEGB C/C(=N\NC(=O)c1ccccc1C)c1c(O)cc(C)oc1=O 6860989 OUQPMKPWFYDXFY-GZTJUZNOSA-N 300.314 2.116 50 40 DEGB CN1C(=O)/C(=N/NC(=O)c2ccccc2Cl)c2ccccc21 100260171 PIKVPVDSXIHXQY-NBVRZTHBSA-N 313.744 2.451 50 40 DEGB COc1ccc2c(CC(=O)NNC(=O)c3ccccc3)coc2c1 3559631 YXGQAFBFEZUWQO-UHFFFAOYSA-N 324.336 2.445 50 40 DEGB CC1=C(C#N)[C@@](NC(=O)c2ccccc2)(C(F)(F)F)C(O)=N1 6050433 WRJQCDFVWDJZAR-ZDUSSCGKSA-N 309.247 2.485 50 40 DEGB C/C(=N\NC(=O)c1cccc(C)c1)c1c(O)cc(C)oc1=O 95249755 PLNHTCOKIGJEIU-GZTJUZNOSA-N 300.314 2.116 50 40 DEGB CCOc1ccc(C(=O)NN)cc1COc1ccc(OC)cc1 224594843 PEHIHYXBDCODRM-UHFFFAOYSA-N 316.357 2.276 50 40 DEGB COc1cccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)c1 580616 OFXZATONTUHFQB-WOJGMQOQSA-N 311.341 2.418 50 40 DEGB O=C(N/N=C/c1cc(Br)ccc1O)c1cccnc1 63125 DBMMBUWTQUXOCE-LZYBPNLTSA-N 320.146 2.314 50 40 DEGB CC(=O)NC(=S)Nc1ccc(NC(=O)CCCCl)cc1 6238389 KPTMZUMKLVDKCS-UHFFFAOYSA-N 313.810 2.477 50 40 DEGB N#CCOc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1 408926377 NDEAOEGKIUJFJB-NTEUORMPSA-N 307.309 2.405 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc2c(c1)OCO2 33247294 GJGTYODYLMPEOY-NVMNQCDNSA-N 300.289 2.247 50 40 DEGB CCN(CC)c1ccc2cc(/C(C)=N/NC(N)=O)c(=O)oc2c1 5003945 YNMFMKVUGPRGNU-VCHYOVAHSA-N 316.361 2.032 50 40 DEGB CCCN1CCC(=NNC(=O)CNc2ccccc2OC)CC1 4867933 MOVQTHBQVHEWQJ-UHFFFAOYSA-N 318.421 2.085 50 40 DEGB COc1ccccc1NC(=O)[C@@H](C)I 72226332 YUCQERXPBSNQMD-SSDOTTSWSA-N 305.115 2.457 50 40 DEGB CCc1ccccc1N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 5471760 IRDHPULMXZGOAS-LBPRGKRZSA-N 315.822 2.008 50 40 DEGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C(C)C)[C@H]2C1 13471594 CBJHMVJKCOQIPV-JKSUJKDBSA-N 309.417 2.310 50 40 DEGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1ccncc1 138195 XTEUPOICTNYKFC-UHFFFAOYSA-N 309.247 2.175 50 40 DEGB CC[C@@H](Br)C(=O)NC1=NN(c2ccccc2)C(=O)C1 74941552 HOZXCFULSHSHJY-SNVBAGLBSA-N 324.178 2.027 50 40 DEGB O=C(N/N=C/c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 332767 AGQFIXIONOZUOY-CXUHLZMHSA-N 309.285 2.235 50 40 DEGB Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccccc2F)c1 2726483 BBULLYFGWCRPFC-UHFFFAOYSA-N 316.332 2.283 50 40 DEGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)C1CC1 5504735 HHOYQVZNCLDUEU-LVZFUZTISA-N 319.364 2.464 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)C1(c2ccc(Cl)cc2)CC1 104843467 NNHKHYHRKHOBHF-RAXLEYEMSA-N 318.760 2.240 50 40 DEGB CCn1c(NNC(=O)/C=C(\C)C2CC2)nc2ccccc2c1=O 56441896 JIJKNRUNSTWCEH-ZHACJKMWSA-N 312.373 2.216 50 40 DEGB O=C(NCCCCl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731820 LCNLTECGEVJFMU-JTQLQIEISA-N 315.200 2.438 50 40 DEGB NNC(=O)[C@H]1CN(Cc2ccc(Cl)cc2)c2ccccc2O1 225331169 BULAJKAMCNZVMM-OAHLLOKOSA-N 317.776 2.098 50 40 DEGB Cc1[nH]nc(C(=O)N/N=C/c2cccs2)c1/N=N/N(C)C 104119219 CAFKHSJTNLEMNV-SBQRGUQISA-N 305.367 2.104 50 40 DEGB CCOC(=O)[C@@H](C)/C(C)=N\NC(=O)COc1ccccc1C 4523804 CCUSDGKPLDBVPV-PAXVZKIFSA-N 306.362 2.065 50 40 DEGB COc1cc(C)c(/C=N/NC(=O)c2ccc(O)cc2)cc1OC 408548319 GFYBBMBNZABXJV-VCHYOVAHSA-N 314.341 2.482 50 40 DEGB N#CCn1cc(/C=N/NC(=O)c2ccccn2)c2ccccc21 33697383 FCFGGRURXYQTSL-RGVLZGJSSA-N 303.325 2.324 50 40 DEGB COc1ccc(C2(CN[C@](C)(O)C#N)CCCC2)cc1OC 103543817 YXOSCAJZXBFFCM-MRXNPFEDSA-N 304.390 2.337 50 40 DEGB COC(=O)NNS(=O)(=O)c1ccc(C2CCCCC2)cc1 7405552 RUMZWRHTFWPZLF-UHFFFAOYSA-N 312.391 2.284 50 40 DEGB N#CC1=C(N)OC2=C(C(=O)OC2)[C@@H]1c1c(F)cccc1Cl 279105 VXKRMSQFHQWHPB-JTQLQIEISA-N 306.680 2.098 50 40 DEGB Cc1[nH]c2ccc(C(=O)NNC(=O)c3ccccn3)cc2c1C 9740040 MONCQEFYQCDBPU-UHFFFAOYSA-N 308.341 2.255 50 40 DEGB Cc1ccc(C(=O)NNC(=O)c2csc([N+](=O)[O-])c2)s1 49044825 SSUHAAGWESVFJR-UHFFFAOYSA-N 311.344 2.101 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccccc2OCC#N)cc1 4690149 IKSNPHCCTDPCBH-XDHOZWIPSA-N 309.325 2.361 50 40 DEGB CCOC(=O)/C(C#N)=C/Nc1ccccc1C(=O)N1CCCC1 18991297 DKUALRQTWIIWDQ-OUKQBFOZSA-N 313.357 2.305 50 40 DEGB CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OC(C)=O 408754747 HXXWTKGLICFDPX-LICLKQGHSA-N 316.313 2.368 50 40 DEGB N#CC1=C(N)OC(N)=C(C#N)C1c1cccc(C(F)(F)F)c1 50648 MVLMCGFZDZUJIW-UHFFFAOYSA-N 306.247 2.207 50 40 DEGB Cc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)cc1 3057615 UUGOMZCDYAQXSI-KGENOOAVSA-N 323.396 2.194 50 40 DEGB Cc1cccc(C)c1OCC(=O)N/N=C1/C(=O)Nc2ccccc21 6412988 NVMZDYJOOVRXCR-UHFFFAOYSA-N 323.352 2.155 50 40 DEGB C/C(=N\NC(=O)Cc1cccn1C)c1ccc(-n2ccnc2)cc1 4619397 SPRJWLWUGYHCDH-XSFVSMFZSA-N 321.384 2.294 50 40 DEGB CCN1C(=O)/C(=N/NC(=O)Cc2cccs2)c2ccccc21 4724437 LGHRMJHPUFXDNV-OBGWFSINSA-N 313.382 2.178 50 40 DEGB CCOC(=O)NNC(=O)c1cc(Cl)c(OC)c(Cl)c1 36618290 VRAGVFDDDQKUIX-UHFFFAOYSA-N 307.133 2.393 50 40 DEGB COc1cc(C(=O)N(CCCl)N=O)cc(OC)c1OC 5045765 ZEOUXIGBYDNGEV-UHFFFAOYSA-N 302.714 2.075 50 40 DEGB Cc1ccc(S(=O)(=O)NNC(=O)/C=C\c2ccccc2)cc1 16928475 ZZDRAZWVLMPUAR-XFXZXTDPSA-N 316.382 2.018 50 40 DEGB C/C(=N\NC(=O)c1cccc(C)c1O)c1ccc(O)cc1O 101416948 KLWZJISQXGBZRH-LICLKQGHSA-N 300.314 2.266 50 40 DEGB CC(=O)Nc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1 4545268 GRYNJPBEMWVVAK-WOJGMQOQSA-N 311.341 2.174 50 40 DEGB CCCn1c(O)c(C(=O)NN=C(C)C)c(=O)c2ccccc21 4528320 HPZJWSGYZHKIPM-UHFFFAOYSA-N 301.346 2.243 50 40 DEGB CC[C@H](Br)C(=O)NC1=NN(c2ccccc2)C(=O)C1 74941550 HOZXCFULSHSHJY-JTQLQIEISA-N 324.178 2.027 50 40 DEGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NN=Cc1ccc(O)cc1)C[C@@H]2O 253498510 BUACLTUPCYMJFI-QGTPRVQTSA-N 316.401 2.420 50 40 DEGB CN1C(=O)/C(=N/NC(=O)CCc2ccccc2)c2ccccc21 5982201 CHDPHRBJAZGDRO-LVZFUZTISA-N 307.353 2.116 50 40 DEGB COc1cccc(/C=N/NC(=O)CSc2ccccn2)c1O 547987 AVQSXRRQKVQDNX-RQZCQDPDSA-N 317.370 2.038 50 40 DEGB Cc1ccc(Nc2nc(N)nc(CCBr)n2)cc1 1441748 GUZGXBSAIOROKH-UHFFFAOYSA-N 308.183 2.443 50 40 DEGB COc1cc(OC)c(/C=C(\C#N)C(=O)O)cc1Br 4738517 FKTVXMONKBKWDA-FPYGCLRLSA-N 312.119 2.458 50 40 DEGB O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccccn1 9315181 WYKRZKMHJXSJQA-NEPJUHHUSA-N 315.760 2.300 50 40 DEGB O=C(NNC(=O)C1c2ccccc2Oc2ccccc21)C1CC1 6310372 RHRGILYLXBMOKT-UHFFFAOYSA-N 308.337 2.482 50 40 DEGB N#C[C@@H](NNC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 6574951 CLMMKPJCFHIAFW-OAHLLOKOSA-N 310.313 2.023 50 40 DEGB ClCC1=N[C@H]2[C@H](N1)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]2Cl 104159923 RFQYQSNQRAXEJB-PSGKDBJXSA-N 310.439 2.407 50 40 DEGB Cc1cc(C(=O)N/N=C/c2cc(Br)cs2)[nH]n1 4066975 VFELZAFKQLLPIO-UUILKARUSA-N 313.180 2.306 50 40 DEGB C/C(=N\NC(=O)C(=O)Nc1ccccc1F)c1cccs1 5188499 WYVFQQMPRPWYLF-RQZCQDPDSA-N 305.334 2.366 50 40 DEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cccs1 8231179 BGOLZRZGCKDMAC-JTQLQIEISA-N 300.767 2.158 50 40 DEGB C[C@H]1CN(c2ccc(CNC(=O)CCl)cc2F)C[C@@H](C)O1 82167768 JLJZYFJUQMMLCQ-PHIMTYICSA-N 314.788 2.294 50 40 DEGB in-vitro COc1ccc(C(=O)NN(C)c2ccccc2)cc1[N+](=O)[O-] 8724706 RGHRENHILWGRKV-UHFFFAOYSA-N 301.302 2.385 50 40 DEGB CS(=O)(=O)[C@H](Cl)[C@@H](O)c1ccc(Br)cc1 96518834 UWDOYVSHXIGGEP-IUCAKERBSA-N 313.600 2.092 50 40 DEGB CN(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1 222772 QRLIFGPFONXOAK-GZTJUZNOSA-N 312.329 2.181 50 40 DEGB C[C@@H](Nc1nc2ccccc2s1)C(=O)NNC(=O)C(C)(C)C 32904520 MDCGLNYLQSKDEF-SECBINFHSA-N 320.418 2.290 50 40 DEGB COc1ccccc1C(=O)NNC(=O)Cc1ccc(Cl)cc1 290005 WCLPOJFTDIMGPJ-UHFFFAOYSA-N 318.760 2.352 50 40 DEGB CCc1[nH]nc2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2 809319 CRJWUCAWIOYGCO-GFCCVEGCSA-N 302.284 2.468 50 40 DEGB COc1ccc(OC)c(/C=C(/C#N)C(=O)NCc2cccnc2)c1 6569146 HWPXGRSGTXMIPJ-NVNXTCNLSA-N 323.352 2.322 50 40 DEGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 3042485 ZCPRPJSJTUVAEW-OQLLNIDSSA-N 314.257 2.267 50 40 DEGB Cc1nn(C)c(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1Cl 371432 TXJGGPNGZXWKRK-VIZOYTHASA-N 321.724 2.054 50 40 DEGB O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H]1[N+](=O)[O-] 44266445 JBSBNXIGMQNOTI-CABCVRRESA-N 309.325 2.220 50 40 DEGB N#CC(C#N)=C(N)[C@@]1(C#N)O[C@@H]1c1cccc(Br)c1 66088273 LOFBBQITUVMILL-CHWSQXEVSA-N 315.130 2.043 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(N)=O)cc1 140263 BSXOOEUUQBJNJF-JLHYYAGUSA-N 321.336 2.340 50 40 DEGB CCCCN(NC(C)=O)c1nc(Cl)nc(NC(C)C)n1 2057929 FQOWELZOSRYAPY-UHFFFAOYSA-N 300.794 2.003 50 40 DEGB Cc1cc(C)nc(NNC(=O)c2ccc(-c3noc(C)n3)cc2)n1 69594056 LTTCVVXJLPLVMF-UHFFFAOYSA-N 324.344 2.209 50 40 DEGB COc1ccc(/C=N\NC(=O)c2ccc(C)nc2)cc1[N+](=O)[O-] 30802940 ZIYIDYHMPXJVKH-IUXPMGMMSA-N 314.301 2.071 50 40 DEGB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1 497037 SHSMCSZAMOWQAY-CXUHLZMHSA-N 313.269 2.057 50 40 DEGB COc1ccccc1NC(=S)NNC(=O)c1cccs1 544100 SLWIYFMSPYTQBF-UHFFFAOYSA-N 307.400 2.388 50 40 DEGB N#CC(C#N)=CNc1ccccc1C(=O)NCCCn1ccnc1 1588274 GVFFKPKFIUCMFJ-UHFFFAOYSA-N 320.356 2.046 50 40 DEGB C[C@]1(CBr)[C@H]2CC[C@]1(CBr)C(=O)C2=O 4228146 VVGZRNFSODSHMS-JUWDTYFHSA-N 324.012 2.331 50 40 DEGB CCC(C)(C)NC(=O)COC(=O)/C(C#N)=C\c1ccc(O)cc1 72314624 HDFXLXXTJLXHSW-LCYFTJDESA-N 316.357 2.147 50 40 DEGB Cc1ccsc1/C=N\NC(=O)c1n[nH]cc1Br 6413645 SGPNSPHJZKCFOU-ACAGNQJTSA-N 313.180 2.306 50 40 DEGB Cc1[nH]c2ccc(C(=O)NNC(=O)c3ccncc3)cc2c1C 13019506 MIGIFCWZDFDMLC-UHFFFAOYSA-N 308.341 2.255 50 40 DEGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)Nc1ccccc1 38159576 QVGGWSNMOYBZBJ-DHDCSXOGSA-N 300.274 2.456 50 40 DEGB COc1cc(C)c(/C=N\NC(=O)c2ccccc2O)cc1OC 33675255 DENPZDFWVDZFGD-ZDLGFXPLSA-N 314.341 2.482 50 40 DEGB C/C(=N\NC(=O)Cn1cncn1)c1ccc(Cl)cc1Cl 5725298 KFJODURKIVMEHZ-CAOOACKPSA-N 312.160 2.125 50 40 DEGB O=C(O)COc1ccc(/C=N/NC(=O)c2ccco2)cc1Cl 559087 BSIJWIJCBVRYKA-FRKPEAEDSA-N 322.704 2.160 50 40 DEGB Cc1ccc2nc(NCC(=O)NN)nc(-c3ccccc3)c2c1 554957 PABWSYAIDXJMII-UHFFFAOYSA-N 307.357 2.007 50 40 DEGB COCCOC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(OC)c1 82070598 JHXDQFNYWWAOHV-YHYXMXQVSA-N 311.721 2.151 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1[N+](=O)[O-] 193407792 YAPJVPIZFYFJLO-XYOKQWHBSA-N 301.302 2.133 50 40 DEGB CCCCC[C@@H](O)CCC(=O)N/N=C1/C(=O)Nc2ccccc21 5825033 JQAPLOBVAMVUAN-GFCCVEGCSA-N 317.389 2.180 50 40 DEGB C/C(=N\NC(=O)c1ccc(C)nc1)c1ccc2c(c1)OCCO2 5363941 DCAIIDYLFPKLDH-XDHOZWIPSA-N 311.341 2.315 50 40 DEGB CN(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 1429342 NFRALYFNAJIXTO-GZTJUZNOSA-N 312.329 2.181 50 40 DEGB CCOC(=O)[C@H](C)Sc1nnc(NC(=O)CCCl)s1 2451446 LHVCNIGKDBTDAB-LURJTMIESA-N 323.827 2.149 50 40 DEGB COc1cccc(CNC(=O)NNc2cccc([N+](=O)[O-])c2)c1 31035288 LOBNQFJAXPIRFY-UHFFFAOYSA-N 316.317 2.430 50 40 DEGB C=CCn1c(=O)c(C(=O)NCCCCl)c(O)c2ccccc21 100498411 WXHMAOIJTGTLRY-UHFFFAOYSA-N 320.776 2.252 50 40 DEGB CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccnc1 20813260 QHKDCMBIMYGDJG-CYBMUJFWSA-N 301.371 2.270 50 40 DEGB COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)N1CCCC1 7749831 NOPUZZGAAVGZLL-MDWZMJQESA-N 316.357 2.242 50 40 DEGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2)cc1 57787464 PMSHNEFCVWWZRG-YBFXNURJSA-N 307.309 2.109 50 40 DEGB Cc1ccc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1C 408731096 KOCNLAKQNJJHIS-CAOOACKPSA-N 316.317 2.367 50 40 DEGB Cc1ccc(O)c(/C=N/NC(=O)CNc2ccc(F)cc2)c1 487140 XTJAKEFRLWIVSY-DJKKODMXSA-N 301.321 2.402 50 40 DEGB O=C(CCCc1cccs1)NNC(=O)c1ccccc1O 13010258 PZFIFMOWNRCDRS-UHFFFAOYSA-N 304.371 2.238 50 40 DEGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1 4525725 FHJBJNVACJRUBY-LDADJPATSA-N 303.406 2.303 50 40 DEGB Cc1cccc(COc2cccc(C(=O)NN(C)C(N)=O)c2)c1 95457327 MVBUBBSGTHKMGU-UHFFFAOYSA-N 313.357 2.229 50 40 DEGB CC(C)CC[C@@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccco1 1798163 RXZMAFRMWFUFHL-NWDGAFQWSA-N 324.377 2.204 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)CN2Cc3ccccc3C2)cc1 6948816 HWFHFTGTWBCZAX-RGVLZGJSSA-N 322.412 2.219 50 40 DEGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccncc1 59459617 PNSWUCNAZSBVAR-GIJQJNRQSA-N 316.748 2.132 50 40 DEGB O=C(NCc1ccc(Cl)cc1)NNC(=O)c1ccccc1 12973253 APSPOQFBTLRLAI-UHFFFAOYSA-N 303.749 2.484 50 40 DEGB COCCCNC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@H](C)O2 5341650 ABTTVWIQCDSWSM-XBUHWIKASA-N 300.358 2.070 50 40 DEGB C/C(=N/NC(=O)c1ccncc1)c1ccc(N2CCOCC2)cc1 35229371 OYNYPRJKNSKPBF-ZHZULCJRSA-N 324.384 2.072 50 40 DEGB O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccccc1 3186644 MASGFIUFWJSBKN-UFWORHAWSA-N 323.274 2.017 50 40 DEGB CCOC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] 289291 DSXAYRSKYQCSCC-BJMVGYQFSA-N 306.274 2.082 50 40 DEGB O=C1N[C@]2(C=C[C@@H](Br)CC2)C(=O)C12CCCCC2 1722988 DJWNQNIHQSUQBB-YGRLFVJLSA-N 312.207 2.488 50 40 DEGB O=C(CBr)CCCN1C(=O)c2ccccc2C1=O 34184457 PSKJVCNFAMZUFJ-UHFFFAOYSA-N 310.147 2.027 50 40 DEGB COc1cccc(/C=N\NC(=O)COc2ccccc2)c1OC 33285297 MYGYAGJXROPVFA-WQRHYEAKSA-N 314.341 2.233 50 40 DEGB CC(=O)NNc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 13496876 SRMZYWQULLGZAX-UHFFFAOYSA-N 316.752 2.240 50 40 DEGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccc(F)c1 108202792 WHDSIXVYZHCPTB-YVLHZVERSA-N 301.277 2.427 50 40 DEGB C[C@@H](Br)CN1CCN(C(=O)OC(C)(C)C)CC1 79045049 PHGYKWDQXCLUSF-SNVBAGLBSA-N 307.232 2.323 50 40 DEGB CCCCC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1 6263937 HPLAOYGVYDSSGR-UHFFFAOYSA-N 313.810 2.166 50 40 DEGB O=C(OC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 100403025 FEMUTVSKHVSGSR-UHFFFAOYSA-N 314.249 2.141 50 40 DEGB CNC(=O)c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1 98004820 YPSGCHRRAOQXJA-RVDMUPIBSA-N 321.384 2.428 50 40 DEGB COc1ccccc1[C@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2 409148921 UMJWNEYMHAYQHL-INIZCTEOSA-N 309.369 2.425 50 40 DEGB CN(C[C@@H]1CCCN1C(=O)CCl)C(=O)OCc1ccccc1 79411810 BZYLGQLDCUSRTH-AWEZNQCLSA-N 324.808 2.485 50 40 DEGB O=C(NNC(=O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 568825 JQIUHCMAAQLMOY-UHFFFAOYSA-N 315.971 2.471 50 40 DEGB O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1ccccc1 408973686 OPZPNIKHAOUDDT-RONKMWSCSA-N 321.380 2.153 50 40 DEGB Cc1nn(C)cc1/C=N/NC(=O)CNc1ccc2ccccc2c1 31067 ZNYSLKSBKHFARM-KEBDBYFISA-N 321.384 2.444 50 40 DEGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2N)c(OC)c1 59503502 QAGBDVZKYCPPHF-YBFXNURJSA-N 313.357 2.440 50 40 DEGB CO[C@@H](C(=O)N/N=C/c1ccccc1C(=O)O)c1ccccc1 20246293 GVDNTJXLWKMTGI-CLXYIWAZSA-N 312.325 2.223 50 40 DEGB C=CCNC(=O)[C@@]12CC[C@@](C)(C(=O)[C@@H]1Br)C2(C)C 12139883 JRRPIBNLDTXMLD-QCZZGDTMSA-N 314.223 2.448 50 40 DEGB COc1ccc(/C=N/NC(=O)c2ccc(OC)cc2O)cc1 409391064 HIQDGFQOKNNLAY-LICLKQGHSA-N 300.314 2.173 50 40 DEGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(O)cc2)c1 83312041 AHDLXBQUFRXEOD-YVLHZVERSA-N 300.314 2.173 50 40 DEGB COc1cc(Cl)cc(/C=N/NC(=O)c2ccncc2)c1O 551059 NFHHKUKLEGZQMO-CAOOACKPSA-N 305.721 2.213 50 40 DEGB N#C/C(=C\c1ccccc1OCC(N)=O)C(=O)Nc1ccccc1 409218819 HIJWGAJETZSIPP-GXDHUFHOSA-N 321.336 2.096 50 40 DEGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c1 263071 CIPOMDXGPXXQRM-XDHOZWIPSA-N 324.384 2.475 50 40 DEGB CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1 116482 URVFZTCZXZQCBF-UHFFFAOYSA-N 315.329 2.093 50 40 DEGB CC(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 28778634 KTWKAGPFWCONQV-UHFFFAOYSA-N 314.370 2.176 50 40 DEGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(O)cc2)c1 58884610 UOJVHORLGSSPBI-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB Cc1cc(C(=O)NNC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cs1 102242125 YNXYZIQZCNXHFF-FOGDFJRCSA-N 309.460 2.354 50 40 DEGB CCN(CC)S(=O)(=O)c1cc(NC(=O)CCl)ccc1C 3885237 WKGXLOYZXZMPED-UHFFFAOYSA-N 318.826 2.203 50 40 DEGB CCCCOc1ccc([C@@H]2C(C#N)=C(N)Nc3ncnn32)cc1 55104072 QNLAFSZXVGTSJD-CQSZACIVSA-N 310.361 2.166 50 40 DEGB O=C(NC[C@@H]1CCCN(C(=O)CCl)C1)OCc1ccccc1 79411766 BONIADMWRKEHQJ-AWEZNQCLSA-N 324.808 2.390 50 40 DEGB CN(C)c1nc(N)nc(/C(C#N)=C/c2ccccc2Cl)n1 11297753 ISGCFXISLDOLOE-JXMROGBWSA-N 300.753 2.237 50 40 DEGB Cc1ccc(C(=O)/C=C(\O)C(=O)NNC(=O)c2ccccc2)cc1 100947161 YBYYLFZRTVLVMT-WJDWOHSUSA-N 324.336 2.081 50 40 DEGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)c1nc2ccccc2[nH]1 4113146 MBFPFSFTDWMDHV-UKTHLTGXSA-N 318.336 2.491 50 40 DEGB CS(=O)(=O)[C@@H](Br)C(=O)c1cccc(Cl)c1 96517828 SBBADVCBPIFPMK-SECBINFHSA-N 311.584 2.288 50 40 DEGB CC(C)c1ccc(C(=O)NNC(=S)NCC(F)(F)F)cc1 64080922 TZBOVENEONGQMZ-UHFFFAOYSA-N 319.352 2.481 50 40 DEGB O=C(Cc1ccc(F)cc1)NNC(=O)NCCc1cccs1 9977002 DEYXYXMYQKHGBC-UHFFFAOYSA-N 321.377 2.003 50 40 DEGB CCCn1c(CCl)nc2cc(S(=O)(=O)N(C)C)ccc21 3888326 PRLOTQIWRPSMBV-UHFFFAOYSA-N 315.826 2.435 50 40 DEGB C=CCNC(=S)NNC(=O)c1ccc(OCCCC)cc1 8828618 QLTGSMVEOQEKFO-UHFFFAOYSA-N 307.419 2.160 50 40 DEGB C/C(=C\C(=O)C(F)(F)C(F)(F)F)NNC(=O)c1ccco1 13896178 ZOSGBHRTPQHYJG-AATRIKPKSA-N 312.194 2.185 50 40 DEGB CC(=O)NNc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 9154327 WFQGZSPZQIGKBB-UHFFFAOYSA-N 302.359 2.158 50 40 DEGB O=C(CN1Cc2ccccc2C1)N/N=C/c1ccc([N+](=O)[O-])cc1 409226745 SIPHMAMHRAITCP-GIJQJNRQSA-N 324.340 2.061 50 40 DEGB NNC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 48513468 NTWPGCDWCVTNLU-UHFFFAOYSA-N 316.308 2.438 50 40 DEGB C[C@H]1CCCN(CC(=O)NNC(=O)c2ccccc2Cl)CC1 63308640 ZOQZTOZWJYEECU-LBPRGKRZSA-N 323.824 2.223 50 40 DEGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1 3178703 YQBXIXCBFIDYJJ-WOJGMQOQSA-N 312.325 2.246 50 40 DEGB N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1ccco1 36298 BIPRWLOWRVUGCE-GFCCVEGCSA-N 305.297 2.283 50 40 DEGB COc1ccc(N[C@@H](C)C(=O)N/N=C/c2ccccc2O)cc1 234903 PUJBGQWZGJAOKU-HWQJWEFDSA-N 313.357 2.352 50 40 DEGB O=C(NNC(=S)Nc1ccccc1)[C@@H]1COc2ccccc21 35339 RCTHQUYIZMMQQT-CYBMUJFWSA-N 313.382 2.180 50 40 DEGB O=C(NNC(=O)c1ccccn1)c1ccc2cc(O)ccc2c1 10031172 ZZXBRXFZADLYRP-UHFFFAOYSA-N 307.309 2.015 50 40 DEGB NC(=O)N/N=C1\CC(=O)N(c2ccccc2)[C@@H]1c1ccccc1 104266708 UKIAXNMTOLINJG-NISQSXRWSA-N 308.341 2.189 50 40 DEGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc2c(c1)OCO2 252181 HFFVNZNHUJVEON-UFWORHAWSA-N 315.304 2.117 50 40 DEGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)NC1CC1 3301043 CSRJJQKJTQKXJK-YRNVUSSQSA-N 304.733 2.069 50 40 DEGB Cc1ccc([C@H]2[C@H]3COCC=C3C(C#N)=C(N)C2(C#N)C#N)o1 377494 DAPRRNFLTZRANJ-DZGCQCFKSA-N 306.325 2.028 50 40 DEGB O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccncc1 27836 IYSIMEPEZAUNGX-REZTVBANSA-N 303.705 2.228 50 40 DEGB C/C(CC(=O)Nc1ccc(Cl)cn1)=N\NC(=O)c1ccco1 101375806 HLUSAHYKVXGOIK-GIJQJNRQSA-N 320.736 2.463 50 40 DEGB CC(=O)N(C(C)=O)c1ccc(C)cc1[C@@H](Cl)S(C)(=O)=O 1869915 QWSQFUIUUZMYFT-ZDUSSCGKSA-N 317.794 2.176 50 40 DEGB COCCNC(=O)/C(C#N)=C/c1ccccc1Br 3264700 AMXAMOVUVIWCME-DHZHZOJOSA-N 309.163 2.119 50 40 DEGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccco2)cc1Cl 2329863 BFQZQHLOPBHETA-LZYBPNLTSA-N 305.721 2.330 50 40 DEGB C[C@]12C[C@@H](Br)[C@H](Br)C[C@]1(C)C(=O)N2 104279162 ZEUFWIIXHNVBQQ-GCXDCGAKSA-N 311.017 2.202 50 40 DEGB CSc1ncccc1C(=O)NNC(=O)c1ccccc1F 2628336 UVALHKMIJAGMOL-UHFFFAOYSA-N 305.334 2.017 50 40 DEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/C1=Cc2ccccc2OC1 100959047 ABMBIRFJXNUPNL-RIYZIHGNSA-N 306.321 2.227 50 40 DEGB Cc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])c(O)cc2O)c1 58119265 DPBXFANIJUPIMC-PXNMLYILSA-N 315.285 2.078 50 40 DEGB COCC(=O)N/N=C(\C)CC(=O)Nc1cccc2ccccc12 100527501 DQYRAFRJEXDXKW-XDHOZWIPSA-N 313.357 2.307 50 40 DEGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NCCOC 408818086 XVLMYGHRXCCFTM-XYOKQWHBSA-N 308.765 2.408 50 40 DEGB Cc1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2c(C)nn(C)c2F)cc1 252504830 VMRZNNAHWCLGKQ-GLPWQNBLSA-N 314.364 2.430 50 40 DEGB COc1cc(/C=C/C(=O)NCCCCl)cc(OC)c1OC 59014416 NPJBNHOVMCNDTC-AATRIKPKSA-N 313.781 2.471 50 40 DEGB CCOc1cccc(C(=O)n2cc(C(=O)NN)c3ccccc32)c1 216956455 DKDCKPUKXMISLG-UHFFFAOYSA-N 323.352 2.332 50 40 DEGB COc1ccc(C(=O)/C=C/NNC(=O)Cc2ccccc2)cc1 5513525 LHAOPLMRJVVNSK-VAWYXSNFSA-N 310.353 2.255 50 40 DEGB O=C(COc1cccc2ccccc12)NNC(=O)c1ccco1 260219 HLCIZMUOYRCUCT-UHFFFAOYSA-N 310.309 2.273 50 40 DEGB CCOC(=O)NNS(=O)(=O)c1ccccc1-c1ccccc1 58431023 WGNSXDCCUDOKGU-UHFFFAOYSA-N 320.370 2.293 50 40 DEGB CCOC(=O)CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 409123992 JOFVPIXQFWFGPE-VIFPVBQESA-N 322.411 2.383 50 40 DEGB Cc1cc(OCC(=O)NN)c(Br)c(C)c1Cl 216909093 SMKQISZNXBSFGL-UHFFFAOYSA-N 307.575 2.088 50 40 DEGB CCOc1cc(C(=O)NN)cc(Cl)c1OCc1cccnc1 226321290 DZMQSPOGTKHMKW-UHFFFAOYSA-N 321.764 2.316 50 40 DEGB O=C(N/N=C/c1c(Cl)cccc1[N+](=O)[O-])c1ccccn1 244223 XDRLOONDAJNALB-LZYBPNLTSA-N 304.693 2.407 50 40 DEGB Cc1ccc(NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 58853 DAJYOOKWWKDZGQ-VCHYOVAHSA-N 312.329 2.465 50 40 DEGB O=C(CSc1ncccn1)N/N=C/c1ccc(Cl)cc1 233658 FSIIQSVUYCJEIY-CAOOACKPSA-N 306.778 2.372 50 40 DEGB CCn1c(C)cc2c(c1=O)[C@H](c1ccccc1)C(C#N)=C(N)O2 2341636 JCEQPDMYJQWWMV-OAHLLOKOSA-N 307.353 2.395 50 40 DEGB COc1ccc(CC(=O)N/N=C(\C)c2ccncc2)cc1OC 5480025 ILWDOJQFVFOHOP-XDHOZWIPSA-N 313.357 2.182 50 40 DEGB N#C/C(=C/c1cccnc1)C(=O)N1CCN(c2ccccc2)CC1 192594619 CCZRHLOUVXBZJG-LGMDPLHJSA-N 318.380 2.337 50 40 DEGB O=[N+]([O-])[C@H](Br)[C@@H](c1ccccc1)N1CCOCC1 1675769 ILBXLZWSYARKRZ-NEPJUHHUSA-N 315.167 2.058 50 40 DEGB Cc1[nH]nc(C(=O)N/N=C\c2cccs2)c1/N=N\N(C)C 104119208 CAFKHSJTNLEMNV-SZKIAANUSA-N 305.367 2.104 50 40 DEGB O=C(C[n+]1ccccc1)N/N=C/c1ccccc1C(F)(F)F 2705175 BFIJIJBUYXZEJU-VXLYETTFSA-O 308.283 2.143 50 40 DEGB COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccccc1 359174 MMBAIZNBRYAFFR-GZTJUZNOSA-N 313.313 2.296 50 40 DEGB CC(C)(CCl)C(=O)Oc1ccc(/C=C2\NC(=O)NC2=O)cc1 33373956 MAEGLESFZMJTSQ-XFFZJAGNSA-N 322.748 2.037 50 40 DEGB in-vitro COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OC(C)=O 6827541 CIXPANULKNWTIA-QPEQYQDCSA-N 302.330 2.052 50 40 DEGB CCc1ccc(C[C@H]2S/C(=C(\C#N)C(C)=O)NC2=O)cc1 100431494 IEPIEQKNJGOACF-LBFFYKKLSA-N 300.383 2.347 50 40 DEGB Cc1cccc(OCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c1C 9195893 SAVNSVHTXSVINU-PXNMLYILSA-N 317.301 2.334 50 40 DEGB COC(=O)[C@H](N)Cc1ccc(N(CCCl)CCCl)cc1 26468684 YHYUQHQOUXSXQE-CYBMUJFWSA-N 319.232 2.013 50 40 DEGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCOCC1 13943919 BFZAPSQPOIVNTO-YRNVUSSQSA-N 321.720 2.014 50 40 DEGB CCOc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OC 409047921 VFHFAUZVCUHZAD-YBFXNURJSA-N 313.357 2.440 50 40 DEGB Cc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(C)c1 20194294 AFEDVMDYJLUVBF-CXUHLZMHSA-N 301.302 2.497 50 40 DEGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccccc1F 335789 HHSXSWMQSZXZPD-WOJGMQOQSA-N 305.353 2.115 50 40 DEGB CCc1ccccc1N(C(=O)CCl)[C@@H]1C=CS(=O)(=O)C1 1252256 CQGUPRKIFYVQKG-GFCCVEGCSA-N 313.806 2.132 50 40 DEGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1cccc(F)c1 216953861 IMVBFZRMBYHKKA-UHFFFAOYSA-N 311.316 2.381 50 40 DEGB COCc1n[nH]c2c1[C@H](c1c[nH]c3ccccc13)C(C#N)=C(N)O2 5095373 WWTUABXDEWGUSY-AWEZNQCLSA-N 321.340 2.256 50 40 DEGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1SCCCS1 3173711 ARNSPSOGNKTJRX-MDWZMJQESA-N 311.388 2.241 50 40 DEGB CC(C)(C)NC(=S)NNC(=O)c1ccc(-n2cccc2)cc1 15758748 LBNSYWYCFJXONG-UHFFFAOYSA-N 316.430 2.385 50 40 DEGB C/C(=N\NC(=O)CC#N)c1cc2cc(Cl)ccc2oc1=O 13943637 PEIBNVHFCYTSIU-CAOOACKPSA-N 303.705 2.200 50 40 DEGB N#C/C(=C\c1ccc[nH]1)C(=O)N1CCN(c2ccccc2)CC1 286725 XKINBSDUYSLBHG-FYWRMAATSA-N 306.369 2.270 50 40 DEGB COc1ccc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 585349 OEEFMTZAWBJGKI-VCHYOVAHSA-N 312.325 2.117 50 40 DEGB Nc1ccccc1C(=O)N/N=C/c1cc2c(cc1Cl)OCO2 5740925 BPLLQYRGFGOSFR-CNHKJKLMSA-N 317.732 2.415 50 40 DEGB CC1(C)C(=O)[C@@]2(Br)CC[C@@]1(C=O)[C@@H]2Br 103708436 BHBBKYJAFTZJJA-WQGWLQIFSA-N 324.012 2.472 50 40 DEGB Cc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1[N+](=O)[O-] 409384252 BXIOZTJKGVXIDN-VCHYOVAHSA-N 318.377 2.276 50 40 DEGB CC(=O)/C(C#N)=C1\NC(=O)[C@H](Cc2ccc(C)c(C)c2)S1 84923863 WTLJJAYZTMBARP-BXWAGETQSA-N 300.383 2.402 50 40 DEGB Cc1cn(C)nc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 253394172 APUZQXGYBPZEOV-CYBMUJFWSA-N 312.373 2.179 50 40 DEGB Cc1ccccc1C(=O)N/N=C(\N)c1cc2ccccc2oc1=N 10386856 AXHIHWDQAHCZPO-UHFFFAOYSA-N 320.352 2.271 50 40 DEGB COc1ccc2c(c1)/C(=N\NC(=O)c1ccc(C)cc1)C(=O)N2 59472602 MNQMNCWKQZIIDM-UHFFFAOYSA-N 309.325 2.090 50 40 DEGB O=C1C[C@]2(C[C@H](Cl)N=N2)C(=O)N1c1cccc([N+](=O)[O-])c1 5254370 FEBLIVBHGPYGTP-BXKDBHETSA-N 308.681 2.018 50 40 DEGB O=C(NC1=NN(c2ccccc2)C(=O)[C@@H]1Cl)c1ccccc1 4503305 UVZPWPLJINEMLN-CYBMUJFWSA-N 313.744 2.384 50 40 DEGB O=C(NC/C(=N\NC(=O)C1CC1)c1ccccc1)c1ccccc1 18191599 QYYLRJLPYVDVST-HEHNFIMWSA-N 321.380 2.347 50 40 DEGB NNC(=O)c1ccc(CNc2cccc(Br)c2)o1 40175900 ZUMQOUOJSRNXRS-UHFFFAOYSA-N 310.151 2.258 50 40 DEGB O=C1[C@@H](Br)C[C@@H]2C[C@H]1C[C@H](Br)C2=O 164015 ZTVHTPMZYCHYIA-AXMZGBSTSA-N 309.985 2.082 50 40 DEGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccccn2)cc1 8558610 BLDHHBQICSINRS-YBFXNURJSA-N 310.357 2.440 50 40 DEGB C/C(=N\NC(=O)C(=O)Nc1cccc(Cl)c1)c1ccncc1 5137225 JUYDAEBCEGNRCO-VXLYETTFSA-N 316.748 2.214 50 40 DEGB O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(F)s1 252507889 WVZINYILBVWCHX-VIZOYTHASA-N 323.305 2.325 50 40 DEGB COc1ccc(C(=O)NNC(=O)N(C)Cc2ccsc2)cc1 32795437 NPYMHIRDJVRJFF-UHFFFAOYSA-N 319.386 2.243 50 40 DEGB COc1ccccc1OCC(=O)N/N=C/c1ccccc1F 3032635 GOAZAPOWGFSPJI-VCHYOVAHSA-N 302.305 2.363 50 40 DEGB Cc1ccc(CC(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1 4695843 KDDFRFDGZKFPQY-JZJYNLBNSA-N 307.353 2.034 50 40 DEGB COC(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 2132503 NLFHWDMIKVGTDM-ZCFIWIBFSA-N 307.133 2.148 50 40 DEGB O=C(NC[C@H]1CCCO1)N/N=C1/CCc2c(Cl)cccc21 84494308 RIENYMYUAHLWGZ-QBHMUIJLSA-N 307.781 2.469 50 40 DEGB O=C(N/N=C/c1cccc2ccccc12)C(=O)N1CCCCC1 6345279 PGKTUMZOIHJQLU-CPNJWEJPSA-N 309.369 2.302 50 40 DEGB O=C(NNC(=O)[C@H]1CCCO1)C(c1ccccc1)c1ccccc1 378989 HQXQPNVDGAWILF-MRXNPFEDSA-N 324.380 2.145 50 40 DEGB CN(C)C(=O)[C@@]12CC[C@](C)(C(=O)[C@@H]1Br)C2(C)C 101042628 KBMARDPLVZNCNA-ZEGGKSINSA-N 302.212 2.234 50 40 DEGB COc1ccc(NC(=O)C(=O)N/N=C/c2sccc2C)cc1 4702996 OJVOZSGANAKUBI-CXUHLZMHSA-N 317.370 2.154 50 40 DEGB CCN(C(=O)CCl)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79392667 PQAQBTSRUNSGID-CQSZACIVSA-N 324.808 2.485 50 40 DEGB CC[C@H](C)N(NC(C)=O)c1nc(Cl)nc(N[C@H](C)CC)n1 4863129 CFDYZVUJQWDKRD-BDAKNGLRSA-N 314.821 2.391 50 40 DEGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cccnc1 55075579 GLMHPSDMNHWXPZ-UHFFFAOYSA-N 308.385 2.463 50 40 DEGB Cc1ccc(SCCC(=O)NNC(=O)c2ccncc2)cc1 15273679 HLKAUAHHTQYLID-UHFFFAOYSA-N 315.398 2.333 50 40 DEGB N#C[C@H](C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409195843 LOVMOIUHYGZPDA-LZNAANCOSA-N 308.297 2.352 50 40 DEGB NNC(=O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 216896630 KDENCAJKOIRPGI-RMKNXTFCSA-N 313.313 2.177 50 40 DEGB O=S(=O)(c1ccc(CBr)cc1)N1CCCC1 32198241 ALNRYVMLBYEUKV-UHFFFAOYSA-N 304.209 2.366 50 40 DEGB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2Br 32611785 JGQCHGBANFUFDO-JTQLQIEISA-N 313.195 2.424 50 40 DEGB Cc1cn(-c2ccccc2)nc1/C=N/NC(=O)c1ccncc1 1016661 IQHQNFAVZGAZIE-YBFXNURJSA-N 305.341 2.340 50 40 DEGB N#CC(C#N)=CN1CCN(c2nc3ccccc3nc2Cl)CC1 2388134 VVJAMVLVIKRPHO-UHFFFAOYSA-N 324.775 2.336 50 40 DEGB Cc1occc1C(=O)NNC(=O)NCc1ccc(Cl)cc1 32795463 RSQUUFXMQZJHOX-UHFFFAOYSA-N 307.737 2.386 50 40 DEGB Cc1cccc(OCC(=O)NNC(=O)Nc2ccccc2F)c1 12875953 ZNNZQMXJSPBUFR-UHFFFAOYSA-N 317.320 2.366 50 40 DEGB Cc1ccccc1C(=O)NNC(=S)NC(=O)c1cccs1 4995678 WQDDPMKUTXPILC-UHFFFAOYSA-N 319.411 2.006 50 40 DEGB Cc1ccsc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-] 36137367 VEIUNAREFMMQHI-NVNXTCNLSA-N 319.342 2.494 50 40 DEGB CCOC(=O)CSC1=C(C#N)[C@H](C)C2=C(CCCC2=O)N1 100560258 OWOPSUMVURRAJU-VIFPVBQESA-N 306.387 2.264 50 40 DEGB CSc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1 59444293 SNQCKIUSGQPMIR-GZTJUZNOSA-N 319.430 2.308 50 40 DEGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cccs2)c1 59503413 MJBDMYINCIZBMH-CXUHLZMHSA-N 301.371 2.454 50 40 DEGB Cc1ccc(CNC(=O)C(=O)N/N=C/c2sccc2C)cc1 408996248 GZMDHSXJJPCUCD-VCHYOVAHSA-N 315.398 2.131 50 40 DEGB CCc1n[nH]c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2 5095152 NMYUGBCHUUBMKB-LBPRGKRZSA-N 311.301 2.098 50 40 DEGB CC(C)CC(=O)NNC(=O)CCc1ccc(OC(F)F)cc1 32769379 BWMBSUSXDWBOOJ-UHFFFAOYSA-N 314.332 2.414 50 40 DEGB CN1CCN(c2c(Cl)cc(C(=O)Cl)cc2[N+](=O)[O-])CC1 70462683 HVFZNQJMVVPRSC-UHFFFAOYSA-N 318.160 2.379 50 40 DEGB O=C(NNC(=O)c1ccc[nH]c1=S)c1cc2c(s1)CCC2 10124562 DWXROSKSSQNNGU-UHFFFAOYSA-N 319.411 2.369 50 40 DEGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)n1 408975704 CJMFIUIOLKFNPD-WUXMJOGZSA-N 312.285 2.361 50 40 DEGB C[C@H](C(=O)N/N=C/c1ccc(F)s1)n1cc(Cl)cn1 252487108 HSTCQPIZRMOFFS-LTCVEOEISA-N 300.746 2.448 50 40 DEGB N#Cc1nc(-c2ccccc2)oc1NNC(=O)C(Cl)Cl 101426705 XHXLNTWALPVMNI-UHFFFAOYSA-N 311.128 2.460 50 40 DEGB N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(N)=O 97315693 HRLGPNBGRXGVSH-RUDMXATFSA-N 300.299 2.111 50 40 DEGB C=C(Br)CN(CC(=C)Br)NC(C)=O 1604008 WNLAISHYUGRXCX-UHFFFAOYSA-N 312.005 2.157 50 40 DEGB COc1ccc(NC(=S)NNC(=O)c2cccc(F)c2)cc1 6569421 ALNPELFOPYLDPA-UHFFFAOYSA-N 319.361 2.466 50 40 DEGB Cc1cc2c(c(=O)n1C)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 2241081 RZZDZEKDGIACGR-AWEZNQCLSA-N 311.316 2.051 50 40 DEGB Cn1cc(/C=C(\C#N)C(=O)NC2CCCC2)c(-c2ccncc2)n1 98055258 SIDAMZOONHCURU-GXDHUFHOSA-N 321.384 2.448 50 40 DEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccs1 409273160 WAJREEILNXBLTR-RIYZIHGNSA-N 305.315 2.429 50 40 DEGB CC[C@@H](Br)C(=O)Nc1cc([N+](=O)[O-])ccc1O 72193591 RCFQXVKOZWNOPN-SSDOTTSWSA-N 303.112 2.412 50 40 DEGB N#C/C(=C/c1ccncc1)C(=O)N1CCN(c2ccccc2)CC1 408854278 BKJHYKREPNSTEY-VKAVYKQESA-N 318.380 2.337 50 40 DEGB CN(C(=O)CCl)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79392635 VJZHWNXXAFJQPD-ZDUSSCGKSA-N 310.781 2.095 50 40 DEGB CC1(C)CC(=O)C=C(NNC(=O)COc2ccc(F)cc2)C1 5295281 CVHAVSXBXYFGHN-UHFFFAOYSA-N 306.337 2.098 50 40 DEGB Cc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])o1 58964 HQEIGPPAKPWXFX-OVCLIPMQSA-N 303.274 2.025 50 40 DEGB COc1cc(C(=O)NNc2ncnc3ccccc23)ccc1O 1797250 RUNBJQYCIALXNS-UHFFFAOYSA-N 310.313 2.101 50 40 DEGB O=C(C[n+]1ccccc1)N/N=C/C(Cl)=C/c1ccccc1 1746044 VQLSFBBVOMPTIZ-DARJFKRNSA-O 300.769 2.356 50 40 DEGB O=C1CCCC(=O)C1[C@@H]1c2ccccc2CCN1C(=O)CCl 4730582 HJKHROXVFKTGOV-KRWDZBQOSA-N 319.788 2.290 50 40 DEGB CCOC(=O)[C@@H]1C[C@H](Br)CN1C(=O)OC(C)(C)C 34382962 VEANVHWQMGOEKQ-IUCAKERBSA-N 322.199 2.322 50 40 DEGB O=C(CNC(=O)c1cccs1)N/N=C/c1cccc(Cl)c1 2055646 MUJUYTNTZOBAEG-CAOOACKPSA-N 321.789 2.282 50 40 DEGB Cc1cc(C)n(CCC(=O)N/N=C/c2ccc(N(C)C)cc2)n1 503676 URCYMAPDKVWUFJ-LDADJPATSA-N 313.405 2.106 50 40 DEGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(Cl)Cl 1615333 FFHVZDPRFGMVIM-JTQLQIEISA-N 315.156 2.084 50 40 DEGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccc(O)c1 12601682 BVIGBPCCGWRNLS-UHFFFAOYSA-N 324.258 2.486 50 40 DEGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccncc1 59435482 SHWSJPJSXKAMRW-QGMBQPNBSA-N 313.748 2.455 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(C(=O)O)cc1 3379541 WGNIVFFNEONZKF-VCHYOVAHSA-N 300.289 2.217 50 40 DEGB CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)OC(=O)[C@@H]12 408870275 VUFOLWXCKJIJLE-MUZJZNNISA-N 318.328 2.336 50 40 DEGB CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@H]2c1ccc(O)cc1 5295428 WMPNKGAEXJQREU-OAHLLOKOSA-N 309.369 2.416 50 40 DEGB O=C(/C=C/c1ccccc1)NNC(=S)NCc1ccccc1 6447687 HRUWBGAKQGOQHG-VAWYXSNFSA-N 311.410 2.395 50 40 DEGB CC(C)Cn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1 253395712 CFEJEIRAAYXFID-OAHLLOKOSA-N 312.373 2.354 50 40 DEGB COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1[N+](=O)[O-] 220314 VRBOIIANCABAGM-GZTJUZNOSA-N 313.313 2.296 50 40 DEGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1cccnc1 521815 NRXWSATXMHLLJG-QGMBQPNBSA-N 313.382 2.340 50 40 DEGB COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1Br 59333561 JPVJIEVHZFXJGY-POHAHGRESA-N 309.163 2.453 50 40 DEGB CNC(=O)/C(C#N)=C1\S[C@H](C)C(=O)N1c1ccc(Cl)cc1 12579937 WGIIRABJRGDZPK-XHDPYUBESA-N 321.789 2.289 50 40 DEGB O=C(NC[C@@H]1CCN(C(=O)CCl)C1)OCc1ccccc1 79411727 CHKLUCBMTYJWMP-ZDUSSCGKSA-N 310.781 2.000 50 40 DEGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(F)s1 252505132 VPDLAKBBYDDEHM-FZSIALSZSA-N 320.271 2.253 50 40 DEGB O=C(NNc1ccc([N+](=O)[O-])cn1)Nc1cccc([N+](=O)[O-])c1 18156760 LLHAXGZKNYYTCF-UHFFFAOYSA-N 318.249 2.047 50 40 DEGB COc1ccnc(NNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 56887395 VEGKUPFVHQJPBM-BDAKNGLRSA-N 318.299 2.297 50 40 DEGB CC(C)(C)OC(=O)N1Cc2nn3c(=O)cc(CCl)[nH]c3c2C1 100062943 IOQARQCGXBJNAJ-UHFFFAOYSA-N 324.768 2.012 50 40 DEGB CCN(CC)c1ccc(C(=O)NNC(=O)c2cccnc2)cc1 12550366 VYRMYOIOLPXRES-UHFFFAOYSA-N 312.373 2.003 50 40 DEGB NC(=O)N/N=C/c1cccn1-c1cccc(Br)c1 409014209 WKTVQNDZFRZLRC-OVCLIPMQSA-N 307.151 2.242 50 40 DEGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(F)cc1 34718416 JRRDOAGQFBMOIZ-YVLHZVERSA-N 301.277 2.427 50 40 DEGB COc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1 582159 BTNDGKDEHQRXKC-WOJGMQOQSA-N 311.341 2.418 50 40 DEGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(C)=O)cc1 32591 GFJVUMKWIRMLBY-HNNXBMFYSA-N 312.325 2.144 50 40 DEGB C[C@@H]1CN(C(=O)CCl)c2ccccc2N1C(=O)CCl 2036395 FVDLIYRCTVPBKK-SECBINFHSA-N 301.173 2.232 50 40 DEGB Cc1n[nH]c2c1[C@@H](c1ccc(Br)o1)C(C#N)=C(N)O2 6565205 FGVIYNLIAXCSBS-SNVBAGLBSA-N 321.134 2.292 50 40 DEGB Cc1ccc(CCC(=O)NNC(=O)CCc2ccc(C)o2)o1 2359367 YXJOYVREAPEWGW-UHFFFAOYSA-N 304.346 2.202 50 40 DEGB O=C(N/N=C(\Cc1ncc[nH]1)c1ccccc1)c1cccnc1 5902495 PEPYOUVSTJXEGE-RCCKNPSSSA-N 305.341 2.182 50 40 DEGB N#CCOc1ccccc1/C=N/NC(=O)c1ccc(C#N)cc1F 408964625 CYQZXNFJRZPRRA-SRZZPIQSSA-N 322.299 2.364 50 40 DEGB N#Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(F)c1 408967707 RVLGWLDVGSNELV-GIJQJNRQSA-N 312.260 2.369 50 40 DEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccsc1 38721830 DZAXONULACLVAR-AUWJEWJLSA-N 305.315 2.185 50 40 DEGB CC(C)C(=O)NNC(=O)CCc1ccc(OC(F)F)cc1 32673780 XVSSJOBMDWPFBI-UHFFFAOYSA-N 300.305 2.024 50 40 DEGB CC(=O)NNC(=O)CSc1ccc(Br)cc1C 23199263 POZCICVUIHSXFQ-UHFFFAOYSA-N 317.208 2.017 50 40 DEGB O=C(NC[C@@H]1CCCO1)N/N=C1/CCc2c(Cl)cccc21 84494305 RIENYMYUAHLWGZ-JPCVJQKGSA-N 307.781 2.469 50 40 DEGB Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)c3ccccn3)c2c1 4547563 MUQQLQKNZMBDOR-UHFFFAOYSA-N 322.368 2.183 50 40 DEGB CN1C(=O)/C(=C(/C#N)c2nnc3n2CCCCC3)c2ccccc21 5518098 ZWCDKMHDMRVEII-SSZFMOIBSA-N 319.368 2.415 50 40 DEGB CCOc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1 216957839 NRPDALQVPCSSMY-UHFFFAOYSA-N 323.352 2.332 50 40 DEGB NC(=O)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 13233898 IYULZIKAOVKNOF-VIZOYTHASA-N 301.331 2.309 50 40 DEGB O=C(Cc1cc(O)n[nH]1)N/N=C/c1c(Cl)cccc1Cl 548834 IQCQUXNRSVBJTA-GIDUJCDVSA-N 313.144 2.115 50 40 DEGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccccc2)o1 104711895 WUJSWZOUABHEQX-LUAWRHEFSA-N 300.343 2.154 50 40 DEGB CCCC/C(C)=N/NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 58885902 PPABNRYMSFISIT-MHWRWJLKSA-N 306.322 2.216 50 40 DEGB COc1c(O)ccc(/C=N/NC(=O)OC(C)(C)C)c1[N+](=O)[O-] 5496337 ZDRJBHYWIBBEMS-VGOFMYFVSA-N 311.294 2.168 50 40 DEGB CC(C)CNC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl 4703131 ITSLVIWXQBJINC-REZTVBANSA-N 316.188 2.216 50 40 DEGB O=C(CNC(=O)c1ccco1)N/N=C/c1cccc2ccccc12 3081879 GHVAJWGCDLNTRB-RGVLZGJSSA-N 321.336 2.313 50 40 DEGB N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccncc1 36197 UZDSAQRNPBYUMT-CQSZACIVSA-N 316.320 2.141 50 40 DEGB COc1cccc(C(=O)N/N=c2/sc3ccccc3n2C)c1 12511780 CEMDDVRYOASWAE-FBMGVBCBSA-N 313.382 2.494 50 40 DEGB O=C(Cn1nnc2ccccc21)N/N=C\C=C\c1ccccc1 12375774 BHWQEGFXPFAJBZ-YKYHQJSKSA-N 305.341 2.247 50 40 DEGB O[C@@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@H]4[C@H]1Br)[C@H]2[C@H](Br)[C@H]53 261361231 NTSSKTSJOQWIIC-DYZKPYKFSA-N 320.024 2.016 50 40 DEGB O=C(O)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 260574 GXCCEKWSJAEUPV-CXUHLZMHSA-N 313.269 2.057 50 40 DEGB Cc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1 4996269 FGVFEHMYFNFBRB-UHFFFAOYSA-N 312.369 2.154 50 40 DEGB COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CBr 952958960 GIAKHAOWDOOTLY-BDAKNGLRSA-N 322.199 2.037 50 40 DEGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OC)c1 581637 MTRYPIUKSWWDEV-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB CC(=O)C1=C(C)NC(SCC(=O)O)=C(C#N)[C@H]1c1ccco1 19229982 JNNOYIUEUFYZNN-AWEZNQCLSA-N 318.354 2.382 50 40 DEGB N#C/C(=C\c1c(O)[nH]c(=S)[nH]c1=O)c1nc2ccccc2[nH]1 5532394 LWFFJBXKAQBKNT-FNORWQNLSA-N 311.326 2.079 50 40 DEGB COCCOC(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-] 3524600 HUCFFUJDPDXZSA-RYSUZZKOSA-N 302.286 2.248 50 40 DEGB C/C(=N\NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(O)cc1O 6361624 AQEZPRCTUYDQAW-CXUHLZMHSA-N 315.285 2.160 50 40 DEGB C=CCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21 43442 IHEKBICKTVZAAA-MNDPQUGUSA-N 305.337 2.353 50 40 DEGB CON(C)C(=O)/C(C#N)=C/c1cc(C)n(C[C@H]2CCCO2)c1C 84079624 VHAQTWYBEPPMOU-HTRKUNOGSA-N 317.389 2.211 50 40 DEGB Cc1ccc(CNC(=O)NNC(=O)c2cc(C)oc2C)cc1 40477766 GAODLXPTYDBMJM-UHFFFAOYSA-N 301.346 2.349 50 40 DEGB Cc1cc(-c2ccc(/C=N/NC(N)=O)o2)c([N+](=O)[O-])cc1C 344847 PPAKORPEWKLLKD-FRKPEAEDSA-N 302.290 2.474 50 40 DEGB O=C(N/N=C/c1ccncc1)c1cccc(Cn2cccn2)c1 131864 HOPWDGCGHVGQMD-XDHOZWIPSA-N 305.341 2.090 50 40 DEGB C/C(N)=C(/C#N)C(=O)COC(=O)/C=C/c1ccc(Cl)cc1 5667292 FMCLFEGRNWMWHZ-NJPWYCGFSA-N 304.733 2.222 50 40 DEGB O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(F)cc1 5558094 SCWLEVFOBDMBQQ-UHFFFAOYSA-N 306.724 2.483 50 40 DEGB O=C(Cc1ccccc1)NNC(=O)c1ccc2ccccc2n1 12919991 OMSKUJGPNBTJGU-UHFFFAOYSA-N 305.337 2.239 50 40 DEGB COc1ccc(/C=N/NC(=O)c2c(C)nc3sccn23)cc1 5401502 LENNJEFLSHIZHD-CXUHLZMHSA-N 314.370 2.477 50 40 DEGB COc1cc(O)c(/C=N/NC(=O)c2ccccc2)c(OC)c1 6641102 BHRDHIJIWJXSAD-LICLKQGHSA-N 300.314 2.173 50 40 DEGB COc1ccc(C(=O)N/N=C/c2ccc(OC(C)=O)cc2)cc1 408720284 XPBPFHVHENRPEQ-WOJGMQOQSA-N 312.325 2.384 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)Cc2nc3ccccc3[nH]2)cc1 5334020 INSPWMZFHBUJHR-XDHOZWIPSA-N 321.384 2.322 50 40 DEGB O=C(CSc1cccc[n+]1[O-])NNc1cccc(Cl)c1 45896915 BMTWDLMBXMYYCB-UHFFFAOYSA-N 309.778 2.209 50 40 DEGB COc1ccc(-c2nn(CCC(=O)O)cc2C=C(C#N)C#N)cc1 2641082 DLRSWJCMIPTSTD-UHFFFAOYSA-N 322.324 2.464 50 40 DEGB Cc1nccn1CC(=O)N/N=C/c1ccc(Br)cc1 5453336 NKJRINLCCOVIMK-LZYBPNLTSA-N 321.178 2.104 50 40 DEGB COc1ccc(C(=O)NN)cc1COc1ccc(C)c(C)c1 224284803 URGFFSBGKLAPGL-UHFFFAOYSA-N 300.358 2.495 50 40 DEGB CC1CCC(C(=O)NNC(=O)c2cc(-c3ccco3)n[nH]2)CC1 5977683 DYDRMWHLIKTNAW-UHFFFAOYSA-N 316.361 2.257 50 40 DEGB N#CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 8062983 YWXKHOPYAUKYQG-WOJGMQOQSA-N 324.296 2.261 50 40 DEGB COc1cc(/C=C(\C#N)C(=O)NCc2cccnc2)ccc1O 227189 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CC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1 142113 BVYMZLZNTNLLOH-UHFFFAOYSA-N 311.341 2.028 50 40 DEGB O=C(CCCl)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 21308641 PANCLZZPEVUWRC-UHFFFAOYSA-N 316.810 2.039 50 40 DEGB CC(=O)N1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1 79487721 IFMJEAVFTGSMAD-CYBMUJFWSA-N 316.492 2.391 50 40 DEGB N#CC1=C(Br)N=C(c2ccccc2)[C@H](C#N)[C@@H]1N 78549792 YYYHKCSPQSDZGH-KOLCDFICSA-N 301.147 2.086 50 40 DEGB COc1ccccc1NCC(=O)N/N=C/c1ccc(F)cc1 60467 QEUSZNJPLSODNK-VXLYETTFSA-N 301.321 2.397 50 40 DEGB COC(=O)CCCC[C@H]1SC[C@@H](NC(=O)OC)[C@@H]1Cl 15108266 RVBCICRKXVNKTK-KKZNHRDASA-N 309.815 2.167 50 40 DEGB O=C(N/N=C1\CCSC1)c1cc(Br)ccc1O 1009073 KDNCGVNFVYUVOF-MDWZMJQESA-N 315.192 2.377 50 40 DEGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1 3009027 TTZPLPNJWKNMIO-LDADJPATSA-N 311.341 2.174 50 40 DEGB CCOc1ccc(NC(=O)CI)cc1 2017914 XHCZKIUZVWRBGR-UHFFFAOYSA-N 305.115 2.459 50 40 DEGB Cc1nn(C)c2sc(C(=O)NNC(=O)c3ccccc3)cc12 11150145 BTQJOEKMNFWLKM-UHFFFAOYSA-N 314.370 2.018 50 40 DEGB O=C(CN1CCCCC1)N/N=C/c1ccc(N2CCCCC2)o1 408997064 QLKXPZHRGICDEU-QGOAFFKASA-N 318.421 2.206 50 40 DEGB NNC(=O)Cc1ccc(NC(=O)c2ccccc2Cl)cc1 225315490 ZTRMFMATBHKOQS-UHFFFAOYSA-N 303.749 2.125 50 40 DEGB Cc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])cs1 58678 JBTFWWYXBCVVOB-VIZOYTHASA-N 319.342 2.494 50 40 DEGB CCCC[C@H](CCC(=O)NNC(=O)Cc1ccccc1)C(=O)O 4350172 OILSVLBOXFOZHH-CQSZACIVSA-N 320.389 2.048 50 40 DEGB CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CCl 79392485 NJFILXPHZNPELU-UHFFFAOYSA-N 304.818 2.331 50 40 DEGB C/C(=N\NC(=O)Cc1c[nH]c2ccccc12)c1csc(N)n1 32869059 TYTVMDJWBKMJFE-DJKKODMXSA-N 313.386 2.290 50 40 DEGB Cc1c(C(=O)NN)c2ccccc2n1C(=O)COc1ccccc1 216723473 RYPJEBPBIWAVBY-UHFFFAOYSA-N 323.352 2.272 50 40 DEGB COc1ccc(/C=C/C(=O)NNC(=O)C2CCCCC2)cc1 586907 RAPNXZDCQTVFSU-FMIVXFBMSA-N 302.374 2.436 50 40 DEGB Cc1cc(=O)[nH]c(NNC(=O)c2ccc(C(C)(C)C)cc2)n1 16769706 ONCXSCAFULCHEB-UHFFFAOYSA-N 300.362 2.133 50 40 DEGB N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)NC[C@@H]1CCCO1 517070 RWCQMHSBUWKHTC-LRQZKABGSA-N 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O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccccc1O 18286320 ZOSBWBVZMXRSQG-UHFFFAOYSA-N 314.263 2.196 50 40 DEGB Cn1cccc1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 5425222 UDQUZYMJJQESBS-AWEZNQCLSA-N 319.320 2.350 50 40 DEGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1 83326042 JOQREPWOHCHNEK-BVTUPMQUSA-N 317.301 2.152 50 40 DEGB COc1cc(/C=C/C(=O)NN)ccc1OCc1cccc(F)c1 226335877 SVZFVEXBLFVKGG-SOFGYWHQSA-N 316.332 2.416 50 40 DEGB CCc1ccc(OCC(=O)NNC(=O)c2cccs2)cc1 569205 AFVSJHKJGQSUKQ-UHFFFAOYSA-N 304.371 2.151 50 40 DEGB COCCCNC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@@H](C)O2 5341648 ABTTVWIQCDSWSM-JXCQQFQQSA-N 300.358 2.070 50 40 DEGB CCN1CCN(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)CC1 19891213 RFAVDTCQOWBMBP-OUKQBFOZSA-N 318.808 2.323 50 40 DEGB O=C(CN1CCCc2ccccc21)N/N=C/c1cccc(O)c1 8124808 ILTFNIUYKRDEMS-XDHOZWIPSA-N 309.369 2.295 50 40 DEGB CCN(NC(=O)CN1CCCCCC1=O)c1ccc(C)cc1 58412267 BKWFRRFGBASJKW-UHFFFAOYSA-N 303.406 2.255 50 40 DEGB COc1cccc(/C=N/NC(=O)[C@H](C)n2nnc3ccccc32)c1 174573 JVOULMFUMCDDMV-HWQJWEFDSA-N 323.356 2.151 50 40 DEGB CCOc1cc(C=C(C#N)C#N)ccc1O[C@@H](C)C(=O)N(C)C 13137693 MXDKJHWABNBJFE-LBPRGKRZSA-N 313.357 2.371 50 40 DEGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1 408800181 NMVMFMYQHISVIN-LQELWAHVSA-N 316.357 2.362 50 40 DEGB COC(=O)/C(C#N)=C1\[C@@H]2CCC[C@H]1C(SC)=C(C#N)C2=O 5526086 ZOFVKWAZZQWJRN-SVVCOPCHSA-N 302.355 2.119 50 40 DEGB CCOC(=O)[C@H]1C[C@H](Br)CN1C(=O)OC(C)(C)C 34382963 VEANVHWQMGOEKQ-DTWKUNHWSA-N 322.199 2.322 50 40 DEGB COc1ccccc1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1 5880575 IQRLXGCHJGUKQP-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cccc(Cl)c1 16693954 MLPDAHDTSXAUIP-JYRVWZFOSA-N 301.733 2.474 50 40 DEGB C=CCc1cccc(/C=N/NC(=O)Cn2nc(C)cc2C)c1O 188865 FBHQPJLDJQFJIM-VCHYOVAHSA-N 312.373 2.084 50 40 DEGB O=C(CN1CCCCC1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 408729116 XOMMIOVIIVXUJE-CXUHLZMHSA-N 324.768 2.184 50 40 DEGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)CC1(C)OCCO1 1082131 IMJIHARIZDYIBQ-LICLKQGHSA-N 301.346 2.080 50 40 DEGB N#C/C(C(=O)CCl)=C(/c1ccc(F)cc1)N1CCOCC1 14246973 XPQRSLBHOBSHBY-FYWRMAATSA-N 308.740 2.200 50 40 DEGB CNC(=S)N/N=C/c1ccc(N(CCF)CCCl)cc1 5412919 HFTLTYVYYHWWBE-LICLKQGHSA-N 316.833 2.129 50 40 DEGB Cc1cc(Br)ccc1NC(=O)CNC(=O)CCl 2617556 APRUFSPQGDJZOF-UHFFFAOYSA-N 319.586 2.051 50 40 DEGB C/C(=N\NC(=O)NC1CCCC1)[C@@H]1Cc2ccccc2C(=O)O1 98055482 ORGUOSYSSYRFST-BKQORJHRSA-N 315.373 2.386 50 40 DEGB CC(C)C(=O)Nc1cccc(N2C[C@@H](C(=O)Cl)CC2=O)c1 45953930 WTBLGGQKCXMMRC-JTQLQIEISA-N 308.765 2.399 50 40 DEGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(C)o2)n1 5942763 VPGYMOQRVMTFPP-VIZOYTHASA-N 304.375 2.237 50 40 DEGB Cc1ccc(C(=O)N[C@@H](C(Cl)Cl)N2CCOCC2)cc1 3155677 XJUSWLPXLBFNBT-CYBMUJFWSA-N 317.216 2.187 50 40 DEGB O=C(CCl)NC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79392625 ZSRUDNMIUJVEIQ-CQSZACIVSA-N 324.808 2.390 50 40 DEGB O=C(CCl)N(c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 40177553 NULQMRZRRJNBOF-VIFPVBQESA-N 322.213 2.099 50 40 DEGB Cc1cc(SCC(=O)NN)nc(-c2cccc(Cl)c2)n1 225311225 RIDGVIBZGMPGPB-UHFFFAOYSA-N 308.794 2.187 50 40 DEGB CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)OC(=O)[C@H]12 408870270 VUFOLWXCKJIJLE-ASPXRTSYSA-N 318.328 2.336 50 40 DEGB CS(=O)(=O)[C@@H](Br)C(=O)c1ccc(Cl)cc1 96517836 AYCKZTCCACESCA-SECBINFHSA-N 311.584 2.288 50 40 DEGB CCn1cc(Cl)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 253405542 SPONQHPBDVARNI-GFCCVEGCSA-N 318.764 2.371 50 40 DEGB C#CCOc1ccccc1/C=N/NC(=O)c1ccc(OC)cc1 3089618 CAGRIUCTCYVNNV-CPNJWEJPSA-N 308.337 2.471 50 40 DEGB Cc1cccc(OCCCC(=O)NNC(=O)c2ccncc2)c1 15273408 HFKRUOKYDDORHK-UHFFFAOYSA-N 313.357 2.010 50 40 DEGB O=C(CSc1nncs1)NNc1cccc(Cl)c1 51322391 KGQJWPMKVPINNB-UHFFFAOYSA-N 300.796 2.427 50 40 DEGB O=C(NNC1=C(C(=O)C(F)(F)F)CCCC1)c1ccncc1 4132949 BQABTLUBGLOZPK-UHFFFAOYSA-N 313.279 2.276 50 40 DEGB CC(C)/C=N/NC(=O)c1cccc(C(=O)N/N=C/C(C)C)c1 4855147 HGEUYVGWSHZCKP-BEQMOXJMSA-N 302.378 2.430 50 40 DEGB Cc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1[N+](=O)[O-] 7008944 NXALXDUVBLRNRD-VCHYOVAHSA-N 312.329 2.465 50 40 DEGB COc1ccc(-c2cc(C(=O)NN)n(-c3ccccc3)n2)cc1 3270847 OCBDXKLIFRIOIK-UHFFFAOYSA-N 308.341 2.151 50 40 DEGB Cc1c(C(=O)Cl)cccc1N1C[C@@H](C(=O)Cl)CC1=O 100680185 BSPGPCMALWDHQY-QMMMGPOBSA-N 300.141 2.492 50 40 DEGB Cc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1 2646096 JQFYVRSDVCCBBQ-UHFFFAOYSA-N 307.353 2.480 50 40 DEGB CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@@H]2c1ccc(O)cc1 5295442 WMPNKGAEXJQREU-HNNXBMFYSA-N 309.369 2.416 50 40 DEGB CCn1cccc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-] 109034849 GQMXRXCHKLIUSJ-WJDWOHSUSA-N 300.318 2.109 50 40 DEGB CCN(C[C@H]1CCCN1C(=O)CCl)C(=O)OC(C)(C)C 79408823 ZPIPAKVBTPAWMA-LLVKDONJSA-N 304.818 2.473 50 40 DEGB CC(C)COc1cccc(C(=O)NNC(=O)c2ccncc2)c1 569087 WLLKSVORXCKKJJ-UHFFFAOYSA-N 313.357 2.191 50 40 DEGB COC(=O)CSC1=C(C#N)[C@@H](c2cccc(F)c2)CC(=O)N1 83202 ZOEJAKMUJXCLRG-LLVKDONJSA-N 320.345 2.071 50 40 DEGB COc1ccccc1CCC(=O)NNc1nc(C)cc(C)n1 32904616 VMECUXCBLUACEQ-UHFFFAOYSA-N 300.362 2.178 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(Cl)c1Cl 104518099 PRTNCIDOHYXORG-CLFYSBASSA-N 313.140 2.476 50 40 DEGB O=C(N/N=C/c1coc2ccccc2c1=O)c1ccccc1O 3649383 WAFYGXXLTQAURQ-GIJQJNRQSA-N 308.293 2.263 50 40 DEGB Cc1cccc(NCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c1 4746713 BZOQEDSBCXBBBE-VXLYETTFSA-N 311.341 2.255 50 40 DEGB Cc1cccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1 27844 UOCMEKKEXOPKNF-OVCLIPMQSA-N 303.274 2.025 50 40 DEGB O=C(CCl)N1CCS[C@H]1COc1ccc([N+](=O)[O-])cc1 2561315 LXXYDEDVEUJUNW-LBPRGKRZSA-N 316.766 2.114 50 40 DEGB CN(C)c1cccc(C(=O)NNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 102317228 ZWZJXACOSUQBEU-KCQAQPDRSA-N 315.417 2.340 50 40 DEGB COc1cc2ccccc2cc1C(=O)NNC(=O)c1ccncc1 569091 YVEVMMANTJYPDV-UHFFFAOYSA-N 321.336 2.318 50 40 DEGB COc1cc(C[C@@H]2CC(CCl)=NO2)c(OC)c2c1OCO2 12418102 SUBWGPJVRZEABO-SNVBAGLBSA-N 313.737 2.359 50 40 DEGB Cc1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1 3147981 FGQIEFRDDMHXTJ-LICLKQGHSA-N 313.313 2.432 50 40 DEGB CC(C)(CCl)C(=O)Oc1ccc(/C=C2/NC(=O)NC2=O)cc1 4276881 MAEGLESFZMJTSQ-YRNVUSSQSA-N 322.748 2.037 50 40 DEGB O=C(NNC(=S)NCCCc1ccccc1)c1ccco1 408588853 ZRZGRSYTVXDFEE-UHFFFAOYSA-N 303.387 2.021 50 40 DEGB COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(C)o1 9834571 PRBPTXZBOQVDPV-UHFFFAOYSA-N 308.721 2.325 50 40 DEGB COc1ccc(/C(C)=N/NC(=O)c2ccccc2N)cc1OC 408587705 GRZPQGYCGTYFHB-YBFXNURJSA-N 313.357 2.440 50 40 DEGB O=C(Cc1ccc(C(F)(F)F)cc1)NNC(=O)c1ccccn1 8327158 XKVQIVYLZKEGAV-UHFFFAOYSA-N 323.274 2.104 50 40 DEGB O=C(NN=C1CCSCC1)c1cc(Br)c[nH]1 61459205 PHLIIKCRLUNZCD-UHFFFAOYSA-N 302.197 2.390 50 40 DEGB NC(=S)NNC(=O)/C=C/c1cccc(Oc2ccccc2)c1 62715475 QMNUAACLQGEHMR-MDZDMXLPSA-N 313.382 2.357 50 40 DEGB N/C(CCl)=N\S(=O)(=O)c1ccc(Cl)c(Cl)c1 19851753 UOQWYDHNGRCLGY-UHFFFAOYSA-N 301.582 2.278 50 40 DEGB C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccccc2)cc1)C(=O)O 567469 IMXVSAUGWFGBLC-MBNTZHJCSA-N 312.325 2.302 50 40 DEGB CCn1c(NNC(=O)C2CCCC2)nc2ccccc2c1=O 22699877 IFELDDXBYFQHDL-UHFFFAOYSA-N 300.362 2.050 50 40 DEGB COC(=O)c1ccc(N(C)CCC(=O)CBr)cc1 1703624 HMMHCPJJRTWZKA-UHFFFAOYSA-N 314.179 2.264 50 40 DEGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNc1ccccc1)C(=O)C2=O 2106589 MWKOPWFJYCNEMT-SJORKVTESA-N 300.358 2.094 50 40 DEGB COCC(=O)N/N=C(\C)CC(=O)Nc1ccc(C)c(Cl)c1 5342628 KMNYOFNEMOMEGM-LICLKQGHSA-N 311.769 2.116 50 40 DEGB CC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccc(C)cc2)c1C 6602540 NBCYXVVDEZSBTL-UHFFFAOYSA-N 313.357 2.217 50 40 DEGB N#C/C(C(=O)NCc1ccccc1)=C1/C(=O)Nc2ccccc21 13915871 FSQBLLYNQWNUJB-PEZBUJJGSA-N 303.321 2.232 50 40 DEGB CCOc1ncccc1C(=O)NNC(=O)c1ccc(Cl)cc1 9884826 VRGWDYAVGBZDTE-UHFFFAOYSA-N 319.748 2.209 50 40 DEGB N#CCC(=O)N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl 408727557 FKBSYZDOUULKAJ-FRKPEAEDSA-N 317.692 2.160 50 40 DEGB O=C1[C@@H]2C[C@@H](Br)C(=O)[C@H](C2)C[C@H]1Br 169682405 ZTVHTPMZYCHYIA-XZBKPIIZSA-N 309.985 2.082 50 40 DEGB COc1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc1O 20786505 PJXLZKFEKYOOIM-VCHYOVAHSA-N 324.340 2.121 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2cccs2)c([N+](=O)[O-])c1 238132 FLFRYERNBLPXNL-OVCLIPMQSA-N 319.342 2.494 50 40 DEGB Cn1/c(=N\NC(=O)CC[C@H]2CCCO2)sc2ccccc21 104456096 KJAFQHZLKGAGRN-WYFZMLARSA-N 305.403 2.131 50 40 DEGB Cc1ccc(C)c(SCC(=O)NNC(=O)c2ccco2)c1 9218292 PDCOTXSLEXYFQF-UHFFFAOYSA-N 304.371 2.450 50 40 DEGB O=C(Cc1ccccc1)NNC(=O)Cn1ccc2ccccc21 14775977 GGPWPYZADKIVMU-UHFFFAOYSA-N 307.353 2.031 50 40 DEGB CCn1cc(Cl)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)n1 253405547 SPONQHPBDVARNI-LBPRGKRZSA-N 318.764 2.371 50 40 DEGB Cc1ccc(C(=O)NNC(=O)c2cccs2)cc1[N+](=O)[O-] 570414 DVDTUAAXUYGURG-UHFFFAOYSA-N 305.315 2.040 50 40 DEGB CCC(CC)C1=C(C#N)[C@](C#N)(C(N)=O)C(CC)(CC)[C@@H](O)O1 96336716 GWSIHQLJMHQCAG-DOTOQJQBSA-N 319.405 2.351 50 40 DEGB Cc1ccc(NCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 359451 CHWGXLXOPNVABR-VXLYETTFSA-N 311.341 2.255 50 40 DEGB O=C(Cc1cccs1)NNC(=O)Cn1ccc2ccccc21 4676616 ZVZVQGBBSROTHG-UHFFFAOYSA-N 313.382 2.093 50 40 DEGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 408971433 OKVMKKKSDZVSRO-LBBJYAOWSA-N 316.188 2.358 50 40 DEGB O=C(CCl)N(c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 40177556 IRGUPLNTMCZFJS-LLVKDONJSA-N 322.213 2.099 50 40 DEGB Cc1cc(C(F)F)nn1CC(=O)N/N=C/c1ccc(F)s1 252509105 YCNJRMHNJMKEQJ-FZSIALSZSA-N 316.308 2.480 50 40 DEGB O=C(O)C[C@@H](CP(c1ccccc1)c1ccccc1)C(=O)O 301451 YOXGBTQHWJIBLM-ZDUSSCGKSA-N 316.293 2.295 50 40 DEGB CCOC(=O)/C(=C(/C)Nc1ccc(F)cc1)[C@@H]1CC(=O)OC1=O 100037631 FHZCADKNJGJBLH-CJAAZZPWSA-N 321.304 2.164 50 40 DEGB COC(=O)/C(O)=C1/C(=O)[C@]2(C)CC[C@@H]1[C@@]2(C)CBr 100746674 VWPNDMWKMFEUNP-NBUYIYCXSA-N 317.179 2.372 50 40 DEGB Cc1cccc(C(=O)N/N=c2\oc3ccccc3cc2C(N)=O)c1 72332481 OPOYRORECJCZSO-UZYVYHOESA-N 321.336 2.086 50 40 DEGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1/N=C(N)c2ccccc21 73641589 KGSLQRKBWXOWJN-PFONDFGASA-N 306.300 2.418 50 40 DEGB Cc1nn(C)cc1/C=N/NC(=O)[C@@H](C)Nc1cccc(Cl)c1 126362 HVUQNVVYUXCWPG-SXGUVYOMSA-N 319.796 2.333 50 40 DEGB OB(O)c1cccc(-c2nc3ccccc3n2-c2ccccc2)c1 169748396 YALVJUMJQAACQL-UHFFFAOYSA-N 314.153 2.372 50 40 DEGB O=C(NNC(=O)c1ccccc1S)c1ccccc1S 26181 BCDWFVITTFIUNV-UHFFFAOYSA-N 304.396 2.339 50 40 DEGB in-vitro O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 2621526 PCJFMZREPIFUAD-UHFFFAOYSA-N 318.716 2.144 50 40 DEGB N#Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c(F)c1 408968650 YFCIDQUOMRLKPH-UFWORHAWSA-N 311.272 2.190 50 40 DEGB N#Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(F)c1 4524086 TZCVBRLSRPNAKX-GIJQJNRQSA-N 312.260 2.369 50 40 DEGB CCc1noc(C)c1C(=O)NNC(=O)c1ccccc1Cl 7913251 XTPPORYOHPBQLD-UHFFFAOYSA-N 307.737 2.274 50 40 DEGB N#C/C(=C/c1ccc(OCC(=O)O)cc1)C(=O)NC1CCCC1 409192368 BLCXBFSLRIHDDD-LCYFTJDESA-N 314.341 2.116 50 40 DEGB O=C(N/N=C/c1ccn(CC(F)(F)F)n1)C1CCCCC1 252494437 NVUDYFHCAUKYCR-CAOOACKPSA-N 302.300 2.476 50 40 DEGB C=CCOc1ccc(/C=N/NC(=O)CC#N)cc1Br 59140155 YPMGLFDNTDXPNM-CXUHLZMHSA-N 322.162 2.378 50 40 DEGB N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCc1ccccc1 2557956 ZZQHNBGRWRQWFI-XNTDXEJSSA-N 308.337 2.364 50 40 DEGB CCCc1cc(C(=O)NNC(=O)c2cccnc2O)sc1C 12983772 YVSGBJSYPJATKT-UHFFFAOYSA-N 319.386 2.184 50 40 DEGB O=C(NNC(=O)c1ccco1)c1csc(-c2ccccc2)n1 15719159 YBUBALQMRCXWQT-UHFFFAOYSA-N 313.338 2.478 50 40 DEGB O=C(CCl)NCc1ccccc1I 79420737 POGLMNYMHWXOSP-UHFFFAOYSA-N 309.534 2.146 50 40 DEGB O=C1O[C@H]2C[C@]34CC=CC[C@@]3(C[C@H]2I)[C@@H]14 104282042 ZWDXKNRAQJPUHJ-YYTHCXKUSA-N 316.138 2.462 50 40 DEGB CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)C(C#N)=C(N)O1 4652856 GCINDLBJLCGTEK-ZDUSSCGKSA-N 302.305 2.470 50 40 DEGB O=C1C=C(NNC(=O)Cc2ccccc2)C[C@@H](c2ccco2)C1 408751500 QDINOBFCUKDNSX-CQSZACIVSA-N 310.353 2.474 50 40 DEGB COc1cc(C(=O)NN)ccc1OC(=O)c1ccc(Cl)cc1 226365605 NMPAHESTNYEPCM-UHFFFAOYSA-N 320.732 2.171 50 40 DEGB C=CCn1c(O)c(C(=O)N/N=C(\C)CC)c(=O)c2ccccc21 1244732 JFJMBRSMKREHOV-WOJGMQOQSA-N 313.357 2.409 50 40 DEGB Cc1nc2ccc(Cl)cn2c1C(=O)NN=C1CCN(C)CC1 59516188 FPBZGBPSALVYKW-UHFFFAOYSA-N 319.796 2.108 50 40 DEGB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=N/NC(N)=O 7894786 QUGNNPVYNGZIKY-REZTVBANSA-N 305.769 2.204 50 40 DEGB COc1ccc(C(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)cc1 18175580 WGJZYWDNYRZMIT-SAPNQHFASA-N 319.320 2.469 50 40 DEGB COc1ccc(NNC(=O)/C=C/c2cnc(SC)nc2)cc1 408527126 AVTVZJMLFLKPNQ-FPYGCLRLSA-N 316.386 2.364 50 40 DEGB CCOC(=O)[C@H](CCBr)NC(=O)OC(C)(C)C 38355646 YXTOPOZRFOXANL-QMMMGPOBSA-N 310.188 2.228 50 40 DEGB Cc1cccc(C)c1N(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 217380536 YSDTUBUJUDWZPX-LBPRGKRZSA-N 315.822 2.062 50 40 DEGB O=C1[C@@H](Br)C[C@H]2C[C@H]1C[C@H](Br)C2=O 100020254 ZTVHTPMZYCHYIA-VZFHVOOUSA-N 309.985 2.082 50 40 DEGB COc1cccc(C(=O)N/N=C/c2cccc(OC)c2OC)c1 5096941 UKZCBVRHZCHDKS-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB COC(=O)/C(C#N)=C/c1cc(C)c(/C=C(\C#N)C(=O)OC)cc1C 3174622 PBTTUDLOVYJVCP-BGPOSVGRSA-N 324.336 2.463 50 40 DEGB COC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccc(OC)cc1 20528830 SXGREIHOMQZHBZ-CQSZACIVSA-N 316.382 2.494 50 40 DEGB C/C(=N\NC(=O)Cc1ccc2c(c1)OCO2)c1ccc(O)cc1 409147241 XNQNGVFVLWTKLT-WOJGMQOQSA-N 312.325 2.204 50 40 DEGB CCc1cccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c1 40177546 FWJRLSIQIOROIB-CYBMUJFWSA-N 315.822 2.008 50 40 DEGB CC(C)Cn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cn1 253395710 CFEJEIRAAYXFID-HNNXBMFYSA-N 312.373 2.354 50 40 DEGB Cc1cc(C)n2nc(C(=O)N/N=C/C=C/c3ccccc3)nc2n1 1833365 TYFJBADYIUCBKM-XICJKMHVSA-N 320.356 2.170 50 40 DEGB ClCC1=N[C@@H]2[C@H](N1)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H]2Cl 104159919 RFQYQSNQRAXEJB-FLMNKLAKSA-N 310.439 2.407 50 40 DEGB COc1ccc(C(=O)Cl)cc1N1C[C@H](C(=O)Cl)CC1=O 100680254 MPOFPTUJCVKQKG-MRVPVSSYSA-N 316.140 2.193 50 40 DEGB CC(C)C(=O)NNS(=O)(=O)c1cc(Cl)sc1Cl 14244781 LPUJSGCNTDPLAN-UHFFFAOYSA-N 317.219 2.020 50 40 DEGB Cc1ccccc1NC(=S)NNC(=O)c1cccc(O)c1 7581904 VWDXEIFOZLMVOR-UHFFFAOYSA-N 301.371 2.332 50 40 DEGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc2c1OCO2 409189585 QVRNCEYQGCBAHD-SDQBBNPISA-N 314.341 2.390 50 40 DEGB N#CSCCCNC(=O)Cc1csc(-c2ccccn2)n1 521394129 MNYGOCCXHREDEJ-UHFFFAOYSA-N 318.427 2.468 50 40 DEGB Cc1cc(C)n(CC(=O)N/N=C/c2ccc(O)c(Cl)c2)n1 124651 ODXUAAQOHDSUGO-FRKPEAEDSA-N 306.753 2.009 50 40 DEGB Cc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3NN=C(C(F)(F)F)[C@H]32)cc1 5546352 PUVDOYDENXOXGD-GYSYKLTISA-N 322.290 2.267 50 40 DEGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(F)cc1 3149936 XCFAAORQMJODKY-RQZCQDPDSA-N 317.276 2.263 50 40 DEGB C#CCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1OC 3148467 FDXALWDNPONDSF-CPNJWEJPSA-N 308.337 2.471 50 40 DEGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)O)cc1 59678340 DSMOTAKOHIEAIV-XTCQQWIJSA-N 316.357 2.314 50 40 DEGB Cc1cccc(OCC(=O)n2cc(C(=O)NN)c3ccccc32)c1 216723615 WLEAYSIXERUGAG-UHFFFAOYSA-N 323.352 2.272 50 40 DEGB CC(=O)N/N=C/c1cc(Br)c(N2CCCC2)o1 59248976 QPNRDBVENQTUMY-NTUHNPAUSA-N 300.156 2.112 50 40 DEGB CSc1ncccc1C(=O)NNC(=O)c1ccc(F)cc1 14198103 BCCSDIIXHAVKST-UHFFFAOYSA-N 305.334 2.017 50 40 DEGB CCSC1=C(C#N)[C@@H](c2ccccc2)[C@H](C(=O)OC)C(=O)N1 104424683 AGRTUJYPXXQKTD-OLZOCXBDSA-N 316.382 2.177 50 40 DEGB C/C(=C\C(=O)C(C)(C)C)NNC(=O)c1cccc([N+](=O)[O-])c1 101153763 WVBNZESFBQZUFC-CSKARUKUSA-N 305.334 2.348 50 40 DEGB CCn1c(NNC(=O)c2occc2C)nc2ccccc2c1=O 11162379 CONHLWWCUPTVAA-UHFFFAOYSA-N 312.329 2.075 50 40 DEGB O=C(CCc1ccccc1O)NNC(=O)c1c[nH]c2ccccc12 12977373 CDYDKTCVOQAEPT-UHFFFAOYSA-N 323.352 2.267 50 40 DEGB C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)ccc2O1 5419224 PVKPZNHLWBPEQL-TVAFTARASA-N 312.369 2.212 50 40 DEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccs1 4600039 PEXJTOBTZVQZDH-MHWRWJLKSA-N 301.371 2.399 50 40 DEGB CCN(CC)C(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59459594 XKZQWLQOCXDKFI-LZYBPNLTSA-N 316.188 2.312 50 40 DEGB C/C(=N\NC(=O)CNc1ccc(F)cc1)c1ccc(O)cc1O 8564935 ODSYLKKYUVTKIY-VXLYETTFSA-N 317.320 2.189 50 40 DEGB Cc1c(C(=O)NNC(=O)c2ccccn2)oc2ccc(F)cc12 14181748 ZMQCNEDBESYSMN-UHFFFAOYSA-N 313.288 2.350 50 40 DEGB CCN(CC)c1ccc(/C=C(\C#N)c2[nH]nc(N)c2C#N)c(O)c1 1505840589 DNPQMXYSIRIDHQ-KPKJPENVSA-N 322.372 2.480 50 40 DEGB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(OC)c1O 3576152 JZTZYABUWJURIQ-WOJGMQOQSA-N 314.341 2.102 50 40 DEGB CC(NNC(=O)c1cccs1)=C1C(=O)CC(C)(C)CC1=O 33402 NITCQWPJXHWLMY-UHFFFAOYSA-N 306.387 2.215 50 40 DEGB Cc1cccc(C)c1OCC(=O)NNC(=O)c1cccc(F)c1 75582 FFHOLSJXDPWFDM-UHFFFAOYSA-N 316.332 2.283 50 40 DEGB COCc1cc(C)nc(NNC(=O)c2ccc(C)cc2)c1C#N 6627214 ZLDIZKSFYPUOBI-UHFFFAOYSA-N 310.357 2.473 50 40 DEGB Cc1cc2c(c(=O)n1C)[C@@H](Cc1ccccc1)C(C#N)=C(N)O2 2236395 HIRSGRKIBRGGJX-ZDUSSCGKSA-N 307.353 2.106 50 40 DEGB CC(C)NC(=O)CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 59459588 PGZJTJJGLWJBAA-FRKPEAEDSA-N 316.188 2.358 50 40 DEGB COc1cc2c(cc1/C=N\NC(=O)c1cccc(F)c1)OCO2 409104042 CXDMVFRTSWDVFQ-LSCVHKIXSA-N 316.288 2.327 50 40 DEGB CC(=O)N(c1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)OC1=O 100714532 WFBZFPCMVAVRKD-SNVBAGLBSA-N 302.113 2.188 50 40 DEGB CN1C(=O)/C(=N/NC(=O)c2cccc(Cl)c2)c2ccccc21 16916675 FRHHFFZUOGGZDW-NBVRZTHBSA-N 313.744 2.451 50 40 DEGB O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)NC1CCCCC1 20510022 AJNVNUPZEJWGIW-HUUCEWRRSA-N 301.390 2.453 50 40 DEGB CCOC(=O)N/N=C/c1cccc(I)c1 1712976 HUAVQDNVDVWJIC-KPKJPENVSA-N 318.114 2.371 50 40 DEGB CN1CCC(=NNC(=O)CSc2nc3ccccc3o2)CC1 57416888 MIFLUDUCXGAITC-UHFFFAOYSA-N 318.402 2.118 50 40 DEGB COCCOC(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1 6342046 QTUZPBNXYOQDSR-UXBLZVDNSA-N 310.693 2.345 50 40 DEGB Cc1ccn2c(C(=O)N/N=C\c3ccccc3O)c(C)nc2c1 5530273 YDKDRWHTSISSSS-ZDLGFXPLSA-N 308.341 2.421 50 40 DEGB CCOc1cccc(/C=N/NC(=O)c2ccccc2O)c1O 311264 ZWVYYIVKGJSUOG-LICLKQGHSA-N 300.314 2.260 50 40 DEGB COC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 6857774 XPMIAVHPMTYNRH-GFCCVEGCSA-N 322.723 2.299 50 40 DEGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccccc1O 7785161 XQNWLIOYMJNXFL-UHFFFAOYSA-N 322.723 2.188 50 40 DEGB N#C/C(=C/N1CC(=O)NC1=S)C(=O)c1ccc2ccccc2c1 17223422 PWDQPWXSFVZRNE-ZROIWOOFSA-N 321.361 2.147 50 40 DEGB C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccco1 20986380 YXVVVQYYOSDFHD-GZTJUZNOSA-N 304.375 2.319 50 40 DEGB O=C(N/N=C/C=C/c1ccc2c(c1)OCO2)[C@@H](O)c1ccccc1 4132034 FMCQSGUNTPFLCL-UVBVPNQFSA-N 324.336 2.264 50 40 DEGB CC(C)(C)OC(=O)N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21 7947323 PJPALLLKRLMPQV-UHFFFAOYSA-N 306.278 2.425 50 40 DEGB C/C(CCc1ccccc1)=N\NC(=O)C(=O)NC1CCCC1 59434286 JMFDCWXEEJUPFE-CPNJWEJPSA-N 301.390 2.170 50 40 DEGB Cn1cccc1C(=O)NNC(=O)c1cc2c(s1)CCCCC2 14250228 AUSMLRYHFIMVRM-UHFFFAOYSA-N 317.414 2.430 50 40 DEGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc(O)c1 409272800 SKVDJZZTQPZUDH-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB N#C/C(=C\c1ccc(N(CCCl)CCCl)cc1)C(N)=O 345125 FSVRWBUDLCXKPZ-FMIVXFBMSA-N 312.200 2.363 50 40 DEGB O=C(CNc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(F)cc1 41803 BJBOEQQCZOQOHF-GIJQJNRQSA-N 316.292 2.296 50 40 DEGB CCOC(=O)NNS(=O)(=O)c1ccc([C@@H](C)CC)cc1 12787922 IOUFSWWRPYYAOF-JTQLQIEISA-N 300.380 2.140 50 40 DEGB COC(=O)NCC(=O)NN(Cc1ccccc1)c1ccccc1 54853370 AMJQCHCEICYKHL-UHFFFAOYSA-N 313.357 2.080 50 40 DEGB COC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1ccc(C)cc1 59366646 ZGYIUUMMVNWFMU-QGOAFFKASA-N 318.373 2.259 50 40 DEGB COc1ccccc1/C=N/NC(=O)c1c(C)nc2sccn12 59459687 KKPYTKOREVSONG-CXUHLZMHSA-N 314.370 2.477 50 40 DEGB NNC(=O)c1ccc(OCc2cccnc2)c(Br)c1 226321238 TZAIECJVRYWMOP-UHFFFAOYSA-N 322.162 2.027 50 40 DEGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccccn1 409012188 JDOGAOGTZDZFPC-QGMBQPNBSA-N 313.748 2.455 50 40 DEGB Cc1cc(C)nc(NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 11333967 LTEJVDKYSIDEJS-UHFFFAOYSA-N 301.306 2.067 50 40 DEGB COc1ccc(CC(=O)N/N=C(/C)c2ccco2)cc1OC 24494492 QAPRCBXLKDGVKW-BOPFTXTBSA-N 302.330 2.380 50 40 DEGB C/C(=N\NC(N)=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 4503156 OCHZOQVGKBACQA-KEBDBYFISA-N 314.320 2.470 50 40 DEGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCOCC1 563894 BFZAPSQPOIVNTO-XFFZJAGNSA-N 321.720 2.014 50 40 DEGB CC(=O)N(NC(N)=O)[C@@H](C)CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C 13140538 HBHUWTINICXQSH-MJVIPROJSA-N 309.410 2.004 50 40 DEGB CCC/C(=N\NC(=O)CNC(=O)c1ccco1)c1ccccc1 14922078 VTWSLLHOBIUQRA-XMHGGMMESA-N 313.357 2.330 50 40 DEGB COc1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc1 6210467 RAFFUWXAZKHSRT-WOJGMQOQSA-N 308.341 2.415 50 40 DEGB C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccco1 577778 PJKQDLSQOKSJHG-SECBINFHSA-N 308.721 2.162 50 40 DEGB CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)C#N 104195969 MDLLTBLACCNBNJ-YEWWUXTCSA-N 316.401 2.288 50 40 DEGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c([N+](=O)[O-])cc1OC 111677350 NJCUZWFJILAEMO-WZUFQYTHSA-N 319.317 2.044 50 40 DEGB COc1ccc(O)c(/C=N/NC(=O)CNc2ccc(F)cc2)c1 252156 AOVVRFGISJXLSR-DJKKODMXSA-N 317.320 2.102 50 40 DEGB CN(C(=O)CCl)c1ccccc1C(=O)NCc1ccco1 9458157 FPZCYIRLKMXFRH-UHFFFAOYSA-N 306.749 2.411 50 40 DEGB C/C(=N\NC(=O)COc1ccccc1)c1ccc(O)cc1O 100008728 BKUAXYKUXFNYNI-GZTJUZNOSA-N 300.314 2.017 50 40 DEGB COc1ccc(OCC(=O)N/N=C(\C)c2ccc(N)cc2)cc1 587124 PJVOBNWPLNENMO-XDHOZWIPSA-N 313.357 2.197 50 40 DEGB C/C(N)=C(/C#N)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 4830272 DWTCYOSFUOXPKX-GXDHUFHOSA-N 302.374 2.071 50 40 DEGB C=CCNC(=S)NNC(=O)CCc1ccc(OC(C)C)cc1 2366154 PBIOUNZNANRFQV-UHFFFAOYSA-N 321.446 2.088 50 40 DEGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2O)cc1 408816139 IXRMSSFGSYXJOD-ZSOIEALJSA-N 324.336 2.330 50 40 DEGB O=C(CCc1ccccc1)NNC(=O)c1cc(Cl)ccc1O 378951 ZDMVAJUCIBAQPH-UHFFFAOYSA-N 318.760 2.439 50 40 DEGB CCCC[C@@H](CC)COC(=O)c1ccccc1OCC(=O)NN 72334030 DLGOGTYXCXCRHK-CYBMUJFWSA-N 322.405 2.429 50 40 DEGB CN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CCl 79392642 MGPNZELLGFXVAO-CQSZACIVSA-N 324.808 2.342 50 40 DEGB CCS(=O)(=O)[C@H](Br)[C@@H](O)c1cccc(F)c1 96519118 RGWATXYYNOYVGL-UWVGGRQHSA-N 311.172 2.015 50 40 DEGB O=C(C[n+]1ccccc1)N/N=C/c1c(Cl)cccc1Cl 2705173 UMXNJCOYDKECRG-RQZCQDPDSA-O 309.176 2.431 50 40 DEGB CC(=O)Nc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 1754292 LDUVWTBRMQMCRP-WOJGMQOQSA-N 311.341 2.174 50 40 DEGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1O 409243937 ZGNVKISWJRGRTO-ZDLGFXPLSA-N 302.305 2.233 50 40 DEGB CCCCNC(=O)C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 408997919 PEWBAXFXFBQPSI-DJKKODMXSA-N 315.295 2.072 50 40 DEGB O=C(N/N=C\C=C/c1ccccc1)NNC(=O)c1ccccc1 104064852 UPAMJTZMCKWTTO-MRJMLVAMSA-N 308.341 2.330 50 40 DEGB COc1ccccc1C(=O)NNC(=O)c1cccc(F)c1F 2755378 UIOCLGAVAJFOBG-UHFFFAOYSA-N 306.268 2.048 50 40 DEGB O=C(CCCCl)NC[C@H](c1cccs1)N1CCOCC1 25326262 FJNREDPEWOMLRD-GFCCVEGCSA-N 316.854 2.257 50 40 DEGB O=C(NNC(=O)c1csc(-c2ccccc2)n1)c1ccncc1 12877357 SYMPQZBTCVPRQT-UHFFFAOYSA-N 324.365 2.280 50 40 DEGB COc1ccc(OCC(=O)N/N=C(\C)c2cccc(N)c2)cc1 586863 FTTPMGHOEZHBMN-XDHOZWIPSA-N 313.357 2.197 50 40 DEGB COc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(F)cc1 7894974 TZYUXUJUUSIGFC-DJKKODMXSA-N 317.320 2.416 50 40 DEGB CCn1c(C)cc2c(c1=O)[C@@H](c1ccccc1)C(C#N)=C(N)O2 2341634 JCEQPDMYJQWWMV-HNNXBMFYSA-N 307.353 2.395 50 40 DEGB COCc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 5130074 OBWROHZXBQXBEH-LBPRGKRZSA-N 316.748 2.428 50 40 DEGB CCn1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)n1 17031741 ILDYVOBNPUYQSM-LFIBNONCSA-N 308.385 2.477 50 40 DEGB CN1C2=C(C#N)C(=C(C#N)C#N)N[C@H]2C(C)(C)c2ccccc21 8439398 URMLGWWWKYBVDQ-QGZVFWFLSA-N 301.353 2.465 50 40 DEGB CC(=O)Oc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 408771330 FXCLZOFWNYCVEG-WOJGMQOQSA-N 312.325 2.141 50 40 DEGB O=C(NNC(=O)c1ccccc1C(=O)O)c1cc2ccccc2o1 507177 RYZKNHCCYHTTMZ-UHFFFAOYSA-N 324.292 2.206 50 40 DEGB Cc1ccc(C(=O)N/N=C2\C(=O)N(C)c3ccccc32)c(C)c1 6683931 QOKORJBBBFFNMQ-MNDPQUGUSA-N 307.353 2.414 50 40 DEGB O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(F)cc1 59516048 FJRBXLSJLBRSRJ-WOJGMQOQSA-N 305.353 2.115 50 40 DEGB CC(C)Oc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1 408873220 OURCGFLUGGBZHD-GZTJUZNOSA-N 306.362 2.077 50 40 DEGB C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1ccc(C#N)cc1 5695504 OEBACQLPOUNHCR-YBFXNURJSA-N 323.381 2.350 50 40 DEGB Cc1ccc(N2C[C@@H](C(=O)NCCCCl)CC2=O)cc1C 4998940 KZYIBTMAGIJTHD-ZDUSSCGKSA-N 308.809 2.401 50 40 DEGB CN(CCC#N)c1ccc(/C=N/NC(=O)c2cccnc2)cc1 5737929 OECPEIWNXOFLKK-UDWIEESQSA-N 307.357 2.195 50 40 DEGB COc1ccc(O)c(/C=N/NC(=O)CNc2cccc(C)c2)c1 219691 OJQDWDUHEGVUOI-VXLYETTFSA-N 313.357 2.271 50 40 DEGB COc1ccc(/C=N/NC(=O)Cc2nc3ccccc3[nH]2)cc1 5400400 KTXXHCURRXCWIZ-WOJGMQOQSA-N 308.341 2.264 50 40 DEGB CC(C)(C)OC(=O)N1CCC([C@@H](Br)C(=O)O)CC1 79031477 MWAVNAXTNZBACD-SECBINFHSA-N 322.199 2.482 50 40 DEGB CSc1nsc(SC)c1C(=O)O/N=C(\N)CCl 4289117 XKPDJYRYSKDLJJ-UHFFFAOYSA-N 311.841 2.255 50 40 DEGB C/C(=N\NC(=O)COc1ccccc1C)c1ccc(O)cc1O 358034 VXBXFSIYDNTNCC-LDADJPATSA-N 314.341 2.325 50 40 DEGB NC(=O)N/N=C1/CC(=O)N(c2ccccc2)[C@@H]1c1ccccc1 104266703 UKIAXNMTOLINJG-BAACNHRGSA-N 308.341 2.189 50 40 DEGB CC12C[C@@H]3C[C@H](C1)CC(C(=O)NNC(=O)c1ccncc1)(C3)C2 12600147 QWNFAAIASNLREC-NLKGSNSHSA-N 313.401 2.449 50 40 DEGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1 4149338 WOHNISVLVOSZRX-UKRRQHHQSA-N 321.409 2.103 50 40 DEGB COc1cccc(C(=O)N/N=C\c2cc(OC)ccc2O)c1 83314756 WDGCPALSNZJQPP-YVLHZVERSA-N 300.314 2.173 50 40 DEGB COc1ccc(Cl)cc1C(=O)NNC(=O)/C=C/c1ccco1 3547469 NJCOCAKZYMEPDG-FNORWQNLSA-N 320.732 2.416 50 40 DEGB Cc1cc(C)c(O)c(C(=O)C[C@@H](Br)C(=O)O)c1 1672582 UJMAEMOARHMKSS-SECBINFHSA-N 301.136 2.430 50 40 DEGB COc1ccc(/C=C(/C#N)C(=O)Nc2nccs2)cc1O 33417148 NZQXNDWKGVGSDF-POHAHGRESA-N 301.327 2.403 50 40 DEGB O=C(NCc1cccc(C(F)(F)F)c1)NNc1ncccn1 43076648 ORFOJXHXZPHYJR-UHFFFAOYSA-N 311.267 2.322 50 40 DEGB COc1cc(Br)c(/C=C(\C#N)C(=O)O)cc1OC 81214 ZBOUKSASKUHFEE-FPYGCLRLSA-N 312.119 2.458 50 40 DEGB N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)N1CCOCC1 559960 KFMALEWAPKCTPU-OWBHPGMISA-N 315.373 2.036 50 40 DEGB C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(O)cc1O 408531980 PIALPZIJJCFCKS-XDHOZWIPSA-N 313.357 2.359 50 40 DEGB COC(=O)c1ccc(/C=N/NC(=O)CSC(C)(C)C)cc1 6950407 JYHQSPHQNGZNBW-CXUHLZMHSA-N 308.403 2.455 50 40 DEGB C[C@H]1CCc2sc(C(=O)NNC(=S)NC3CC3)cc2C1 14840450 NBOUTRKOXGIXKZ-QMMMGPOBSA-N 309.460 2.144 50 40 DEGB CCOc1ccc(CC(=O)NNC(=S)NC2CCCC2)cc1 6946596 RNIAXDPBSZURDD-UHFFFAOYSA-N 321.446 2.066 50 40 DEGB CCOc1ccc(/C(C)=N/NC(=O)CN2CCCCC2)cc1 20247959 MGPIOPBTRPNODI-NBVRZTHBSA-N 303.406 2.411 50 40 DEGB C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1 48572155 YSYDUVKXHREMAM-CPNJWEJPSA-N 323.352 2.340 50 40 DEGB O=C(N/N=C/c1cccc2ccccc12)C(=O)NC1CCCC1 59515577 YJMGVYHSQQCBLX-XDHOZWIPSA-N 309.369 2.349 50 40 DEGB CC1=NN(c2ccccc2)C(=O)[C@H]1I 100998461 AKXIMCHHMJFLOA-VIFPVBQESA-N 300.099 2.213 50 40 DEGB COc1ccc(/C(C)=N/NC(=O)CC#N)cc1Br 20244009 NDWNQPOTCAEIMN-OVCLIPMQSA-N 310.151 2.212 50 40 DEGB Cc1ccc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)s1 102596861 ZCYXXKXKBFDQPI-DCAQKATOSA-N 309.460 2.354 50 40 DEGB Cc1ccc(/C=N/NC(=O)CSc2nnc(C)s2)cc1 528592 KJXQOBVQTUWNMW-VGOFMYFVSA-N 306.416 2.397 50 40 DEGB CN(C[C@@H]1CCCN(C(=O)CCl)C1)C(=O)OC(C)(C)C 79408759 KNMFGWUQKONSOU-NSHDSACASA-N 304.818 2.331 50 40 DEGB O=C(NNc1ncnc2[nH]cnc12)c1ccc(Cl)cc1Cl 16758289 DJEIBQMARLJQTM-UHFFFAOYSA-N 323.143 2.417 50 40 DEGB Cc1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2c(C)nn(C)c2F)cc1 252504832 VMRZNNAHWCLGKQ-RELIOFMUSA-N 314.364 2.430 50 40 DEGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccnc2)c(O)c1 381413 HEUHCTYMFLTWAX-XDHOZWIPSA-N 312.373 2.397 50 40 DEGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccccc1[N+](=O)[O-] 51563 KYLSVELUMYAZJV-ZHACJKMWSA-N 311.297 2.069 50 40 DEGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc[nH]1 358462 WOPBEAPFFIPDRJ-LZYBPNLTSA-N 322.162 2.306 50 40 DEGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1C[C@@H]1CCCO1 24592938 YNUMOYVVQDVNKF-FVLHSZHDSA-N 313.401 2.470 50 40 DEGB COc1ccc(OC)c(/C=N/NC(=O)CNC2CCCCC2)c1 409381158 DHDMUHXAQXCOKW-YBFXNURJSA-N 319.405 2.076 50 40 DEGB Cc1cccc(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)c1C 40177588 VYUFXSJROSXUBV-GFCCVEGCSA-N 315.822 2.062 50 40 DEGB COc1ccc(NCC(=O)N/N=C/c2ccc(F)cc2)cc1 584102 OZTFKWYYAAVHSX-VXLYETTFSA-N 301.321 2.397 50 40 DEGB Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2Cl)cc1 5415894 YNCVPYCQNZCNPX-UHFFFAOYSA-N 324.789 2.272 50 40 DEGB C=CN/C(S)=N/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1 6487266 KCNFCADMWKOLGY-FMIVXFBMSA-N 307.400 2.153 50 40 DEGB C=CCNC(=O)[C@@]12CC[C@](C)(C(=O)[C@H]1Br)C2(C)C 100834616 JRRPIBNLDTXMLD-OWYVNGRQSA-N 314.223 2.448 50 40 DEGB Cn1cccc1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1 409102808 FDVSZGOJEXSKLR-OQLLNIDSSA-N 318.358 2.176 50 40 DEGB CCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)CCl 79392506 OGRFAEURYYCVII-NSHDSACASA-N 304.818 2.331 50 40 DEGB CC(=O)N/N=C1\C(=O)N(C2CSC2)c2ccc(C(C)C)cc21 223729279 IQWNTKHZILWGPN-SDXDJHTJSA-N 317.414 2.112 50 40 DEGB CCS(=O)(=O)[C@@H](Br)C(=O)c1ccc(OC)cc1 96517900 KLEWKBRMMHGJHT-LLVKDONJSA-N 321.192 2.034 50 40 DEGB O=C(Cc1cccc(F)c1)NNC(=O)c1ccc(Cl)cc1 8752186 AFYRHMITOAIQDE-UHFFFAOYSA-N 306.724 2.483 50 40 DEGB Cc1ccc(CSCC(=O)NN=C2CCN(C)CC2)cc1 58189437 IYWSMYMYOOSDRO-UHFFFAOYSA-N 305.447 2.426 50 40 DEGB CCc1sc(C(=O)NN[C@@H](C(N)=O)c2ccccc2)cc1C 26221796 XGFRFLYDTFUVKN-CQSZACIVSA-N 317.414 2.080 50 40 DEGB CCOc1ccc([N+](=O)[O-])cc1CNCCBr 95832219 YDSQNVQJZNBVNQ-UHFFFAOYSA-N 303.156 2.478 50 40 DEGB CC(C)N1CCC(=NNC(=O)c2ccccc2[N+](=O)[O-])CC1 55008641 ITQITRBNBBNUNY-UHFFFAOYSA-N 304.350 2.185 50 40 DEGB CCCCCCC(=O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 100555953 DHMGMSPCIHSYGX-UHFFFAOYSA-N 318.333 2.338 50 40 DEGB Cc1ccccc1C(=O)NNC(=O)[C@]1(C)CC1(Cl)Cl 44867124 CYEQHMVEJCIPSJ-LBPRGKRZSA-N 301.173 2.340 50 40 DEGB O=C(CCCl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 12505117 CDBWQKDGFNJGDT-UHFFFAOYSA-N 316.810 2.039 50 40 DEGB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCl)cc1 12504841 LJBLKENLIXLKSY-OAHLLOKOSA-N 310.825 2.499 50 40 DEGB in-vitro N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(N)=O 409200392 IAHGPMATNSOMOP-XFFZJAGNSA-N 310.269 2.174 50 40 DEGB CCOC(=O)c1sc(NC(=O)[C@H](C)Br)nc1C 41181209 ZKWNTOLRKYEXFK-YFKPBYRVSA-N 321.196 2.350 50 40 DEGB C/C(=N\NC(=O)CCC(=O)NCc1ccccc1)c1ccco1 4523908 JYGXPHKHBFYLTO-CPNJWEJPSA-N 313.357 2.216 50 40 DEGB COCCOC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1C 408548079 CZMNAGKBGFLLRP-MDWZMJQESA-N 305.330 2.109 50 40 DEGB N#C/C(=C\c1cccnc1)C(=O)NCc1ccc2c(c1)OCO2 6633404 WUCJAAQTCZHTKP-MKMNVTDBSA-N 307.309 2.034 50 40 DEGB CC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 27618740 OFNMOHFALWJAAP-UHFFFAOYSA-N 320.352 2.320 50 40 DEGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(O)cc3)n2c1 58885533 DVBUGEVHHPGRDR-GIJQJNRQSA-N 308.341 2.421 50 40 DEGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccccc2O)c1 3664989 RBMHFAOISODLKY-VCHYOVAHSA-N 311.341 2.098 50 40 DEGB CCOC(=O)/C(C#N)=C\Nc1ccc(NC(C)=O)c(OCC)c1 100797133 STFJATKWKPLWME-BENRWUELSA-N 317.345 2.426 50 40 DEGB CN(C)c1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2)c1 3360331 DXUYUGHSJPORKJ-UHFFFAOYSA-N 317.776 2.481 50 40 DEGB CCCCN1C(=O)/C(=N\NC(=O)c2ccncc2)c2ccccc21 5737877 GQGBBYMJVRTIEZ-SILNSSARSA-N 322.368 2.362 50 40 DEGB C/C(=N\NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(O)cc1 409146694 VHYAURJOOHFUEH-CXUHLZMHSA-N 315.285 2.160 50 40 DEGB COc1ccc(OC)c(NC(=O)C(=O)NN=C2CCCCC2)c1 5513192 RGWSCZNCIRCGNY-UHFFFAOYSA-N 319.361 2.079 50 40 DEGB COc1cccc(C(=O)NNC(=S)NCc2ccccc2)c1 15873336 CFDRKRHWPCTREL-UHFFFAOYSA-N 315.398 2.004 50 40 DEGB CNC(=S)NNC(=O)COc1ccc(C2CCCCC2)cc1 5510495 MOHFTQKURADAMR-UHFFFAOYSA-N 321.446 2.238 50 40 DEGB CC(=O)N[C@H](C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1 3121993 RSDWCQRIWUKMEZ-NSHDSACASA-N 310.202 2.035 50 40 DEGB O=C(COc1ccccc1)NNC(=O)c1cccc(Cl)c1 3555060 QDARIJCYLSKONJ-UHFFFAOYSA-N 304.733 2.180 50 40 DEGB COc1ccc(N[C@@H]2SC(=O)N(CCCl)C2=O)cc1 36626575 FUGFQCKLOFGBKO-SNVBAGLBSA-N 300.767 2.367 50 40 DEGB Cc1nc(NC(=O)CBr)[nH]c(=O)c1CCC(C)C 17025385 LTUDQAXUSZEOHB-UHFFFAOYSA-N 316.199 2.000 50 40 DEGB Nc1nccnc1C(=O)NN=C(c1ccccc1)c1ccccc1 21334032 UTUDJHAPYKVGMQ-UHFFFAOYSA-N 317.352 2.241 50 40 DEGB CCOC(=O)C/C(C)=N/NC(=O)CNc1ccccc1Cl 4394087 RMPNHIWHFQWDNZ-LICLKQGHSA-N 311.769 2.197 50 40 DEGB Cc1ccc(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)cc1 359326 QRFOUEWDKPRFBN-GIJQJNRQSA-N 314.341 2.244 50 40 DEGB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)Nc1ccccc1 32686395 XWYPQVKHSXRLRL-GFCCVEGCSA-N 324.340 2.178 50 40 DEGB CSc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1 59444345 AQUUAEDHBJQOPW-SFQUDFHCSA-N 319.430 2.261 50 40 DEGB CC(C)(C)CC(=O)N1CCC(=NNC(=O)c2ccccn2)CC1 60417767 NWTPVHPCQWERPV-UHFFFAOYSA-N 316.405 2.226 50 40 DEGB CCOC(=O)COc1ccccc1C(=O)CBr 71405331 WYDYPDHKJHGEBD-UHFFFAOYSA-N 301.136 2.206 50 40 DEGB CN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@H](c3ccccc3)[C@@H]2C1 13118167 PFPORCXOCGBIOO-KURKYZTESA-N 315.380 2.040 50 40 DEGB COc1cccc(OC)c1OCC(=O)N/N=C/c1ccccc1 508176 CRZAAVGRSUOJNI-WOJGMQOQSA-N 314.341 2.233 50 40 DEGB N#CC1=C(N)n2ncnc2N[C@@H]1c1ccccc1C(F)(F)F 18199181 XKODCTVRDICUIC-SNVBAGLBSA-N 306.251 2.115 50 40 DEGB C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N[C@H]1[C@@H](C)C(=O)O 196017845 NNANGMFTFSNDLW-RCWTZXSCSA-N 301.459 2.232 50 40 DEGB Cc1cc(C)n(CCC(=O)NN=C2CC(C)(C)NC(C)(C)C2)n1 6527871 IIMNOQRAWWLQJS-UHFFFAOYSA-N 319.453 2.303 50 40 DEGB CCCCN1C(=O)/C(=N\NC(=O)c2ccccn2)c2ccccc21 5737864 VXJQCNFMOOGGHU-SILNSSARSA-N 322.368 2.362 50 40 DEGB COc1ccc2cc(C(=O)NNC(=O)OC(C)(C)C)[nH]c2c1 63461069 VFJSKQHEVSUMLT-UHFFFAOYSA-N 305.334 2.346 50 40 DEGB O=C(O)Cn1cc(OCc2ccccc2)c(=O)cc1CCl 95095481 QPCRHCYMXWGNLZ-UHFFFAOYSA-N 307.733 2.251 50 40 DEGB Cn1nc(C(F)(F)F)cc1C(=O)N/N=C/c1ccc(F)s1 252489572 JUAJMOGRCLPPKV-FZSIALSZSA-N 320.271 2.403 50 40 DEGB COc1ccc(/C=N/NC(=O)CN2Cc3ccccc3C2)cc1 8116332 UFELQAHRGCJIBR-VXLYETTFSA-N 309.369 2.161 50 40 DEGB CN(C)c1ccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1 33088 KPOHQDBBBVAWAZ-WOJGMQOQSA-N 311.341 2.215 50 40 DEGB COc1ccc(C(=O)NNC(=O)c2ccccc2C)c(OC)c1 296363 OBUYOGLLJMHQED-UHFFFAOYSA-N 314.341 2.087 50 40 DEGB COc1ccccc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1O 4737855 LUDSDFUMWMZBJD-CXUHLZMHSA-N 315.285 2.073 50 40 DEGB CC(C)O/C=C/[C@@H](C)[C@@]1(C#N)C(N)=C(C=O)[C@H](C)C1(C#N)C#N 105294956 VCSVNOWZBQTMRK-IVZWMNDCSA-N 312.373 2.166 50 40 DEGB CCOc1ccc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1 100927372 QZRODFYDTMIVBA-GDNBJRDFSA-N 311.341 2.220 50 40 DEGB CC(C)c1ccc(S(=O)(=O)NNC(=O)c2ccco2)cc1 7519703 JGYGVYCCIULAMG-UHFFFAOYSA-N 308.359 2.026 50 40 DEGB C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1ccccc1O 5174074 IMNDQGADLGQRPD-NSHDSACASA-N 316.382 2.334 50 40 DEGB CCOC(=O)c1ccc(NC(=S)NNC(=O)CC(C)C)cc1 2784531 FOYKVWXFJMPGBV-UHFFFAOYSA-N 323.418 2.227 50 40 DEGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1cccs1 3228808 OKSPZUGFOJESKY-GIDUJCDVSA-N 302.281 2.114 50 40 DEGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccccc1 18178147 RNRWNAPKLAJQPS-PUMYGXPMSA-N 320.352 2.441 50 40 DEGB COc1ccnc(NNC(=O)c2cccnc2SC(C)C)n1 44977336 VPKOWSVUGJUWML-UHFFFAOYSA-N 319.390 2.138 50 40 DEGB CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cccc(F)c1 57509130 CPLLOAQFHWRMRT-LBPRGKRZSA-N 312.728 2.236 50 40 DEGB O=C(NC[C@H]1CCCN1C(=O)CCl)OCc1ccccc1 83318359 AWDOTEKUYVNHLC-CYBMUJFWSA-N 310.781 2.143 50 40 DEGB Cc1cc(C)nc(NNC(=O)CSc2ccc(F)cc2)n1 22233662 IBVJBCLBGAFXEU-UHFFFAOYSA-N 306.366 2.468 50 40 DEGB Cc1ccc(C(=O)N/N=C(\N)c2cc3ccccc3oc2=O)cc1 32601321 PNTVMHYTJLMLHQ-UHFFFAOYSA-N 321.336 2.152 50 40 DEGB COc1ccc(F)cc1C(=O)NNc1ccccc1[N+](=O)[O-] 32899399 VWLIFBOXCTVRMW-UHFFFAOYSA-N 305.265 2.499 50 40 DEGB COc1ccc(C(=O)NNC(=O)c2cccs2)cc1Cl 569145 DTBBNLNTKLGPKR-UHFFFAOYSA-N 310.762 2.485 50 40 DEGB CCOC(=O)c1csc(NNC(=O)Nc2ccccc2)n1 1415081 DRWZIEQUNOKMKR-UHFFFAOYSA-N 306.347 2.468 50 40 DEGB C[C@@H]1CN(c2ccc(CNC=C(C#N)C#N)cc2F)C[C@@H](C)O1 55008524 ZNMCDKLFYKCWEU-CHWSQXEVSA-N 314.364 2.460 50 40 DEGB O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 4117780 OZKXRMUSVRNVGR-UHFFFAOYSA-N 302.246 2.260 50 40 DEGB CC(C)COc1ccc(C(=O)NNC(=O)c2cccnc2)cc1 6582652 RHQKMOWDWZXTKK-UHFFFAOYSA-N 313.357 2.191 50 40 DEGB COC(=O)N(NC(=O)C(O)(C(C)C)C(C)C)c1ccccc1 1921329 GDQARZUJNGQGSG-UHFFFAOYSA-N 308.378 2.334 50 40 DEGB COc1cccc(C(=O)NNc2ccccc2[N+](=O)[O-])c1OC 15503890 MPJZFGWCKFKOFU-UHFFFAOYSA-N 317.301 2.369 50 40 DEGB CN(C)c1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1 252163 IONZAESNYSHAJU-RGVLZGJSSA-N 314.364 2.454 50 40 DEGB O=C(CNc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1 43233 HQTLFERUCPBZDZ-OVCLIPMQSA-N 304.331 2.219 50 40 DEGB O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 568815 WEEADFKTQPYFMI-UHFFFAOYSA-N 319.704 2.323 50 40 DEGB O=C(N/N=C/c1ccc(Cl)cc1)C(=O)N1CCCCCC1 4838965 ATGKBKDXOLFGOO-GZTJUZNOSA-N 307.781 2.193 50 40 DEGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cccnc1 59516191 WSTLMLGDDPAMPS-QGMBQPNBSA-N 313.748 2.455 50 40 DEGB CC(C)CC(=O)NNS(=O)(=O)c1ccc2ccccc2c1 7386685 KDHYBPLWSNLNPI-UHFFFAOYSA-N 306.387 2.195 50 40 DEGB CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1cc(CCl)nn1 80837477 KHCLBANYNDQTLW-LLVKDONJSA-N 300.790 2.416 50 40 DEGB COc1ccc([C@H]2NN(c3nc(C)cc(C)n3)C(O)=C2C#N)cc1 14162624 UCTSGXPIGQUCCJ-OAHLLOKOSA-N 323.356 2.461 50 40 DEGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(O)c(O)c2)c1 3148658 UFFHKSSNXNHGJZ-GIJQJNRQSA-N 314.341 2.244 50 40 DEGB CCN(CC)S(=O)(=O)c1ccc(NC=C(C#N)C#N)cc1 3368015 UMIJUEOXDUPELM-UHFFFAOYSA-N 304.375 2.060 50 40 DEGB COc1cc(C(=O)NNC(=O)c2ccco2)ccc1OC(C)C 12898318 MNQAMNUOBLXRJH-UHFFFAOYSA-N 318.329 2.150 50 40 DEGB COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(C)cc2)c1 3555172 QNNYWEDTWDKTJO-UHFFFAOYSA-N 314.341 2.087 50 40 DEGB C[C@H]1CN(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 27026199 RUPFHTLRSGLEJM-HSWNBIMASA-N 315.329 2.138 50 40 DEGB NC(=O)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1 408887508 OZDXPWULVSHUGH-GIJQJNRQSA-N 301.277 2.047 50 40 DEGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCC#N 408784633 VIVGFBCJZDKOMS-ZROIWOOFSA-N 313.357 2.419 50 40 DEGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)NC[C@@H]1CCCO1 3175984 JWYMYCOWZLBVSY-BCNIOPEESA-N 322.311 2.490 50 40 DEGB O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1ccccc1 24990886 WJKZWEQLGZGMDO-UHFFFAOYSA-N 324.315 2.086 50 40 DEGB CN(C)c1ccc([C@H](C#N)NNC(=O)Cc2ccccc2)cc1 1633708 QFOJYTRVAZKGRO-KRWDZBQOSA-N 308.385 2.181 50 40 DEGB Cc1occc1C(=O)N/N=C/c1ccn(CC(F)(F)F)n1 225390316 MAEOHRBTLTUVBU-OMCISZLKSA-N 300.240 2.111 50 40 DEGB COC(=O)/C(C#N)=C1/[C@@H]2CCC[C@H]1C(=O)C(C#N)=C2SC 5526083 ZOFVKWAZZQWJRN-AITUUCJRSA-N 302.355 2.119 50 40 DEGB CCCc1ccc(OCc2ccc(C(=O)NN)o2)c(OC)c1 551844 OYLJDKZZHNKQAX-UHFFFAOYSA-N 304.346 2.423 50 40 DEGB COc1ccc(-c2cc(C(=O)NN)nn2-c2cccc(C)c2)cc1 59472472 BWNUAVNZHGLRDO-UHFFFAOYSA-N 322.368 2.460 50 40 DEGB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Cl)CC2)cc1 94992612 QFJAPOBFOFLTSX-UHFFFAOYSA-N 301.795 2.161 50 40 DEGB COC(=O)/C(=N\Nc1ccc(F)c(Cl)c1)C(=O)CCl 16711641 KSDRCHMEJCUZPF-YBEGLDIGSA-N 307.108 2.228 50 40 DEGB CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C(C)C)[C@H]2C1 33936169 CBJHMVJKCOQIPV-HOTGVXAUSA-N 309.417 2.310 50 40 DEGB O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccco1 5521428 CQIJWCXBSTUEGL-UHFFFAOYSA-N 310.309 2.273 50 40 DEGB N#CC1=C(Br)N=C(c2ccccc2)[C@@H](C#N)[C@H]1N 78549779 YYYHKCSPQSDZGH-GXSJLCMTSA-N 301.147 2.086 50 40 DEGB O=C(N/N=C\c1ccccc1C(=O)O)c1ccc2[nH]cnc2c1 28351972 BKRRBSABIOHPGD-UWVJOHFNSA-N 308.297 2.025 50 40 DEGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1O 408965853 JEALASGXWWGZSO-DJKKODMXSA-N 313.288 2.175 50 40 DEGB CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)c1ccc(OC)cc1 12413465 RTCQZYQDEZTIQO-UDIPDBSGSA-N 304.346 2.144 50 40 DEGB CCOC(=O)[C@@H](Br)C(=O)c1cc(F)ccc1F 16158307 WZGZLLQOFLAHQM-VIFPVBQESA-N 307.090 2.474 50 40 DEGB Cn1cc(/C=N/NC(=O)c2ccc(O)cc2O)c2ccccc21 4063874 UXRSMHIDDGUDMX-GIJQJNRQSA-N 309.325 2.353 50 40 DEGB Cc1cc(OCC(=O)NNC(=O)c2ccccc2)ccc1Cl 504882 RXRMWFTWZCGQDP-UHFFFAOYSA-N 318.760 2.488 50 40 DEGB C/C(=N\NC(=O)COc1ccccc1C)c1cc(O)ccc1O 101494895 PFLNIQIXLVDYQU-LDADJPATSA-N 314.341 2.325 50 40 DEGB COc1ccccc1/C=N/NC(=O)c1sc(N)c(C#N)c1C 33580156 VRPNMVAWYOYKJC-QGMBQPNBSA-N 314.370 2.283 50 40 DEGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(F)cc1 409366331 UJDWNPFEUMGBNR-ODLFYWEKSA-N 314.316 2.290 50 40 DEGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccccn2)cc1 223173857 ZWZOILLFMFEELJ-RAXLEYEMSA-N 307.309 2.414 50 40 DEGB CC(C)NC(=S)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 7986467 RGDOGKCNCLYPPN-SECBINFHSA-N 311.476 2.390 50 40 DEGB Cc1cc2c(c(=O)n1C)[C@H](c1ccccc1F)C(C#N)=C(N)O2 2338803 WYEHVDQCIKHKSE-CQSZACIVSA-N 311.316 2.051 50 40 DEGB CCN(CC)CCOC(=O)c1ccc(NC(=O)CCl)cc1 54360568 LWURCDBDWUHOMD-UHFFFAOYSA-N 312.797 2.363 50 40 DEGB Cc1cc(C)nc(NNC(=O)c2cc(C)nc3onc(C)c23)n1 14514674 HILQESHECTUMPK-UHFFFAOYSA-N 312.333 2.003 50 40 DEGB CCC[C@@H]1[C@@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N 19853049 YJFXFXGJPWCQFN-HZPDHXFCSA-N 309.417 2.453 50 40 DEGB O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(F)cc1 371164 OASMKAKMSMSEOE-RQZCQDPDSA-N 317.276 2.263 50 40 DEGB O=C(NNC(=O)c1ccco1)c1ccc(Br)cc1 54838 LAUZVASLTUICTP-UHFFFAOYSA-N 309.119 2.117 50 40 DEGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1ccc(F)cc1 27062503 CWCQWPKYFWPGOD-PXNMLYILSA-N 303.249 2.203 50 40 DEGB Cc1ccc(OCC(=O)NN=Cc2cccc([N+](=O)[O-])c2)cc1 11582336 VOILCDWKWDGESI-UHFFFAOYSA-N 313.313 2.432 50 40 DEGB Cc1ccc(N2C[C@H](C(=O)NCCCCl)CC2=O)cc1C 4998939 KZYIBTMAGIJTHD-CYBMUJFWSA-N 308.809 2.401 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc2c(c1)OCCO2 111669109 GPWFHSIJHULSHG-ODLFYWEKSA-N 314.316 2.290 50 40 DEGB CCOC(=O)[C@H](Br)C1CN(C(=O)OC(C)(C)C)C1 953019005 DKEWRGSGGCJIJI-SECBINFHSA-N 322.199 2.180 50 40 DEGB CCN(CC)C1=NC(N)=C(C#N)[C@@]1(C#N)[C@]1(C)CCCCC1=O 78549822 FBQQSXMUTVCDRG-IAGOWNOFSA-N 313.405 2.094 50 40 DEGB O=C(N/N=C/c1ccccc1F)C(=O)Nc1ccccc1F 59386478 KUVGJEJUARZTJD-GIJQJNRQSA-N 303.268 2.054 50 40 DEGB COc1ccc(/C(C)=N/NC(=O)CNC2CCCCC2)cc1 409385316 HNGSEAXEVLGRRR-CPNJWEJPSA-N 303.406 2.458 50 40 DEGB Cn1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)cn1 25583689 WIAISJYVQSRLAU-ONNFQVAWSA-N 311.732 2.374 50 40 DEGB O=C(NNC(=S)NCc1ccccc1)c1ccccc1F 4670326 MJWLZOAFETUXKF-UHFFFAOYSA-N 303.362 2.135 50 40 DEGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)cc1 18137350 DWGQGBZRASMHMG-HNNXBMFYSA-N 323.352 2.300 50 40 DEGB COc1ccccc1-c1nnc(-c2ccc(C(=O)NN)cc2)o1 261828282 JGYPYSXRBXQXTG-UHFFFAOYSA-N 310.313 2.016 50 40 DEGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1O 35800505 PQVQCOMWWBKJON-MFOYZWKCSA-N 317.276 2.132 50 40 DEGB Cc1ccc(/C=N/NC(=O)CCNC(=O)c2ccccc2)cc1 1956741 YLAGDTISLXECBU-DEDYPNTBSA-N 309.369 2.265 50 40 DEGB CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)[C@H](OC)c1ccccc1 408719718 KQVXPYBHBIHHLE-RHILCZHPSA-N 318.373 2.210 50 40 DEGB Cc1cc(C)nc(NNC(=O)[C@H]2Cc3ccccc3S2)n1 22236069 JVYIWICJNWHHEN-CYBMUJFWSA-N 300.387 2.254 50 40 DEGB CC(C)C(=O)N/N=C\c1cc2c(cc1Br)OCO2 6951173 CDZRILVLIWLHAB-RZNTYIFUSA-N 313.151 2.284 50 40 DEGB C/C(=N\NC(=O)COc1cccc(C)c1)c1cc(O)ccc1O 102670452 GTUOXIICVJFAKV-LDADJPATSA-N 314.341 2.325 50 40 DEGB C[C@H]1CN(c2ccc(CNC(=O)CCl)cc2F)C[C@H](C)O1 82167770 JLJZYFJUQMMLCQ-QWRGUYRKSA-N 314.788 2.294 50 40 DEGB in-vitro COCCCNC(=O)/C(C#N)=C/c1ccc2c(c1)O[C@H](C)C2 8915278 QVMYZDFAQGCKGB-KMHUVPDISA-N 300.358 2.070 50 40 DEGB COc1ccc(C(=O)NN)cc1COc1cc(C)cc(C)c1 224188844 DJXQMDKZQNXABK-UHFFFAOYSA-N 300.358 2.495 50 40 DEGB CCCOc1ccc(C(=O)NNC(=O)c2ccoc2)cc1OC 12697259 OUGGMTYZAWAENS-UHFFFAOYSA-N 318.329 2.152 50 40 DEGB O=C(CCCC[C@H]1CCSS1)NCCN1CCOCC1 38298384 FQPSNWAKFXMTEI-ZDUSSCGKSA-N 318.508 2.149 50 40 DEGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 408966213 KNBSKSHIHFEPOU-CIAFOILYSA-N 321.311 2.473 50 40 DEGB Cc1cccc(OCC(=O)N/N=C2/C(=O)Nc3ccccc32)c1C 5981795 WVMCGIANXHICFA-UHFFFAOYSA-N 323.352 2.155 50 40 DEGB CCOC(=O)c1ccc[n+](/C(=C\C#N)C(=O)Nc2ccccc2)c1 16121791 WBCDKUQDCDUCPH-YBEGLDIGSA-O 322.344 2.154 50 40 DEGB CCS(=O)(=O)[C@H](Br)[C@H](O)c1ccc(C)cc1 96519104 HFKALVLTLHZKJA-MNOVXSKESA-N 307.209 2.184 50 40 DEGB COc1ccc(C(=O)NN/C(C)=C/C(=O)c2cccnc2)cc1 6013691 TVYWTBYQGZFKSQ-ZRDIBKRKSA-N 311.341 2.111 50 40 DEGB NC(=S)NNC(=O)CCn1c2ccccc2c2ccccc21 3010384 SRTZXYYOOJAOTJ-UHFFFAOYSA-N 312.398 2.049 50 40 DEGB O=S(=O)(O)S[n+]1c(-c2ccccc2)cn2ccccc21 1723865 NZLRYTZDKMNRSW-UHFFFAOYSA-O 307.376 2.193 50 40 DEGB Cc1nc(N2CCOCC2)sc1/C=C(\C#N)C(=O)OC(C)C 96405114 VCUNCPOXRBVTNN-XYOKQWHBSA-N 321.402 2.147 50 40 DEGB N#CC1=C(N)n2ncnc2N[C@H]1c1ccc(Cl)cc1Cl 18199160 LWLKXOPAABQJEI-JTQLQIEISA-N 307.144 2.403 50 40 DEGB N#CCOc1ccccc1/C=C(\C#N)C(=O)NCc1ccco1 22344692 WAEBNQPNQVKZHZ-GXDHUFHOSA-N 307.309 2.405 50 40 DEGB O=C(Cc1ccc(OC(F)(F)F)cc1)NNc1ncccn1 52409928 NVEOBJIMNGSPGE-UHFFFAOYSA-N 312.251 2.061 50 40 DEGB C/C(CC(=O)C(F)(F)F)=N\NC(=O)COc1cccc(C)c1 104207332 XWVRFRMEWKLEEV-VCHYOVAHSA-N 316.279 2.387 50 40 DEGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccs1 3292720 PRGLKNSUGYTUSN-UHFFFAOYSA-N 310.762 2.485 50 40 DEGB O=C(N/N=C/c1ccc(Cl)cc1)C(=O)NC1CCCCC1 59386574 VTZDWAKJAGRNDS-LICLKQGHSA-N 307.781 2.239 50 40 DEGB CC(C)(C)NC(=S)NNC(=O)c1cccc(-n2cccc2)c1 28716804 KLGAFWSCRZMOFR-UHFFFAOYSA-N 316.430 2.385 50 40 DEGB COc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2)c(O)c1 409390861 FZWZRXYFDIFRQZ-LICLKQGHSA-N 300.314 2.260 50 40 DEGB O=C(CSc1ccccc1F)NNC(=O)[C@H]1CC=CCC1 15763898 LQTIQNCKNUDZJU-NSHDSACASA-N 308.378 2.422 50 40 DEGB N#C/C(=C\c1cccc(Oc2nc(Cl)ncc2F)c1)C(N)=O 409075316 YSHGQLNUZUNAAF-RUDMXATFSA-N 318.695 2.454 50 40 DEGB CS(=O)(=O)[C@@H](Cl)C(=O)c1ccc(Br)cc1 96517748 ZLYHNACWQRJCHV-SECBINFHSA-N 311.584 2.241 50 40 DEGB CC(C)N1CCC(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 55079202 IOMCZCRXVOWQLD-UHFFFAOYSA-N 304.350 2.185 50 40 DEGB O=C(O)c1ccccc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 59160995 KYYSBBMVLGUVTD-CXUHLZMHSA-N 313.269 2.057 50 40 DEGB Cc1ccc(C)c(CC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1 409359274 BCTNDXZJQBWTAW-CXUHLZMHSA-N 301.302 2.497 50 40 DEGB CC(C)(C)NC(=S)NNC(=O)c1ccccc1-n1cccc1 33635030 RZGKKDOVXMLRDQ-UHFFFAOYSA-N 316.430 2.385 50 40 DEGB CCN1C(=O)/C(=N/NC(=O)Cc2ccccc2)c2ccccc21 100192433 VYSNVTONBXNQIQ-LVZFUZTISA-N 307.353 2.116 50 40 DEGB O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)NC1CCCCC1 20510030 AJNVNUPZEJWGIW-GJZGRUSLSA-N 301.390 2.453 50 40 DEGB CC1(C)Cc2nc3sc(C(=O)NN)c(N)c3cc2CS1 327605 IWMJXBBOGDPVAQ-UHFFFAOYSA-N 308.432 2.050 50 40 DEGB C=CCOc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1 59471532 ZRQHRNMKQGEVFM-AMRJIULGSA-N 310.353 2.435 50 40 DEGB COc1cccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)c1 216956302 DKQKAXQKFCMINZ-UHFFFAOYSA-N 323.352 2.250 50 40 DEGB C=CCc1cc(/C=N/NC(=O)c2ccncc2)cc(OC)c1O 41078030 SAUXDVNABABFQN-YBFXNURJSA-N 311.341 2.288 50 40 DEGB O=C(NNc1ccc(OC(F)(F)F)cc1)C1CCNCC1 228935477 WKLZXGXTEJAKNN-UHFFFAOYSA-N 303.284 2.028 50 40 DEGB COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2OC)c1 5357980 KBXFCZPMLDCIRG-WOJGMQOQSA-N 314.341 2.476 50 40 DEGB CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)COc1ccccc1C 4523809 OJBMNBIRBVYLEZ-VVTMIQRTSA-N 320.389 2.455 50 40 DEGB Cc1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1 7653111 JXDQYHUVBFLIOE-UHFFFAOYSA-N 313.357 2.010 50 40 DEGB C/C(=N\NC(=O)CNc1ccccc1C)c1cc(O)ccc1O 58355 HZEFVNLIWCUEGV-XDHOZWIPSA-N 313.357 2.359 50 40 DEGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 203817 GCODKRONMMOXPJ-MRXNPFEDSA-N 322.320 2.397 50 40 DEGB C/C(CC(=O)NC1CCCCC1)=N\NC(=O)c1cccnc1 100530212 BDYNNZAOXYFVCW-XDHOZWIPSA-N 302.378 2.026 50 40 DEGB C[C@@H]1Cc2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)ccc2O1 5419212 PVKPZNHLWBPEQL-UGKPKLDESA-N 312.369 2.212 50 40 DEGB Cc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 409368404 UHQKADHEEAIQLX-ADFUCPMPSA-N 313.313 2.087 50 40 DEGB O=C(CCCl)Nc1cc2[nH]c(=O)[nH]c2cc1Br 34990106 QKVSTWGDRVUFMY-UHFFFAOYSA-N 318.558 2.186 50 40 DEGB COC(=O)/C(C#N)=C\c1cc(C)c(/C=C(\C#N)C(=O)OC)cc1C 3174625 PBTTUDLOVYJVCP-BSHIDLADSA-N 324.336 2.463 50 40 DEGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccnc1 113607 FJYAQUOTZFKJKE-AWEZNQCLSA-N 317.304 2.406 50 40 DEGB N#C/C(=C\c1c[nH]c2ncccc12)C(=O)NCc1cccnc1 61719122 GTOSLJVWJDIGTI-NTUHNPAUSA-N 303.325 2.181 50 40 DEGB CC1=CC[C@@H](/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)CC1 4132484 IDYORHSHBBQAJR-XWAFYUISSA-N 324.388 2.189 50 40 DEGB C/C(=N\NC(=O)c1ccccn1)c1ccc(-n2ccnc2)cc1 5517004 VWMIALFZVBDZJJ-DEDYPNTBSA-N 305.341 2.421 50 40 DEGB CC(C)(C)[C@H](NC(=O)C1CCC(Cl)CC1)c1nc(=O)o[nH]1 1528509919 RNAIQYDAPKHMMT-UDNWOFFPSA-N 315.801 2.364 50 40 DEGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(C(=O)O)cc1 280839 AWLICOVMAMRCQX-VCHYOVAHSA-N 312.325 2.222 50 40 DEGB O=C1Nc2ccc(Cl)cc2/C1=N\NC(=O)c1ccccc1O 5731296 FREOFNFXTZKNNY-UHFFFAOYSA-N 315.716 2.132 50 40 DEGB N#CC1=C(N)NC(N)=C(C#N)C1c1ccc(Cl)c(Cl)c1 494702 BEMAPILSCPZMCX-UHFFFAOYSA-N 306.156 2.068 50 40 DEGB COc1ccc(COC(=O)NNC(=O)c2cccc(F)c2)cc1 6181895 MOANTAWPHZUIGW-UHFFFAOYSA-N 318.304 2.406 50 40 DEGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccco2)cc1 7783847 BJWFRUDDJFWPSZ-YBFXNURJSA-N 313.357 2.170 50 40 DEGB CN1CCC2(CC1)C(C#N)=C(O)NC1=C2C(=O)CC(C)(C)C1 20469921 HAAPSNNKJCJLIY-UHFFFAOYSA-N 301.390 2.238 50 40 DEGB C/C(CC(=O)N[C@@H](C)c1ccccc1)=N\NC(=O)c1ccncc1 4898879 BZQICQZMWCJIKO-HADWXUJASA-N 324.384 2.455 50 40 DEGB Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1ccco1 409072593 WFFCJHFBDUIARD-PDGQHHTCSA-N 313.357 2.189 50 40 DEGB CS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc(Cl)cc1 96519014 VGHVMPZFSASTAZ-IUCAKERBSA-N 313.600 2.139 50 40 DEGB Cc1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)c1 146521 MDDKEKAIXAAPPT-UHFFFAOYSA-N 318.760 2.488 50 40 DEGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1F 3148393 YZKOHYOHAMQHIN-YBFXNURJSA-N 313.332 2.477 50 40 DEGB O=C(CCCC[C@@H]1CCSS1)NCCN1CCOCC1 38298383 FQPSNWAKFXMTEI-CYBMUJFWSA-N 318.508 2.149 50 40 DEGB O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccccc1O 7977647 NZZAZDYMGQOGJK-UHFFFAOYSA-N 324.258 2.486 50 40 DEGB O=C(CCn1c(=O)oc2ccccc21)NN=Cc1ccccc1 8715024 KKBKEISTEOWMCG-UHFFFAOYSA-N 309.325 2.135 50 40 DEGB COc1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1 408728715 RVCPURNHGQSHAF-VCHYOVAHSA-N 312.325 2.117 50 40 DEGB C=CCOc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1 16440566 XEDZHCULSCPUSA-NTCAYCPXSA-N 300.358 2.311 50 40 DEGB CC(C)(C)NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl 59444284 FBJZMCGRAHLNEB-FRKPEAEDSA-N 316.188 2.358 50 40 DEGB C/C(N)=C(\C#N)C(=O)COC(=O)CCSc1ccccc1 103093746 YUBKZMAXESKMPL-QBFSEMIESA-N 304.371 2.037 50 40 DEGB O=C(Cc1c[nH]c2ccccc12)N/N=C1/C(=O)Nc2ccccc21 5934999 BZWCCZRCRNFJGS-UHFFFAOYSA-N 318.336 2.183 50 40 DEGB CCS(=O)(=O)[C@@H](Br)C(=O)c1ccccc1F 96517886 DUOGUWMGQWQBJT-SNVBAGLBSA-N 309.156 2.164 50 40 DEGB O[C@@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@H]4[C@H]1Br)[C@H]2[C@@H](Br)[C@H]53 261361232 NTSSKTSJOQWIIC-VQCMAEOSSA-N 320.024 2.016 50 40 DEGB Cc1cccc(/C=N/NC(=O)Cn2c(C)nc3ccccc32)n1 139120 FMFYUNYOKWMNOQ-VCHYOVAHSA-N 307.357 2.198 50 40 DEGB O=C(N/N=C/c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 3178066 HPMVZPXPIIJBCB-IYSPOMMRSA-N 307.353 2.190 50 40 DEGB O=C1[C@H](Br)C[C@H]2C[C@@H]1C[C@@H](Br)C2=O 169682406 ZTVHTPMZYCHYIA-DBRKOABJSA-N 309.985 2.082 50 40 DEGB Cc1occc1C(=O)NNC(=O)NCCSc1ccccc1 32795465 RIMAJAIOCOHCNQ-UHFFFAOYSA-N 319.386 2.324 50 40 DEGB CCS(=O)(=O)[C@H](Br)C(=O)c1ccc(OC)cc1 96517899 KLEWKBRMMHGJHT-NSHDSACASA-N 321.192 2.034 50 40 DEGB CCOc1ccccc1OCC(=O)N/N=C1/CCCC(=O)C1 102812396 XFCLDRIADFZHAW-ATVHPVEESA-N 304.346 2.079 50 40 DEGB COc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1O 3304015 NZQXNDWKGVGSDF-UXBLZVDNSA-N 301.327 2.403 50 40 DEGB O=C(NNC(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 8272871 XAQMGUYXOAAODB-UHFFFAOYSA-N 324.745 2.205 50 40 DEGB CN(C[C@H]1CCCN1C(=O)CCl)C(=O)OCc1ccccc1 79411817 BZYLGQLDCUSRTH-CQSZACIVSA-N 324.808 2.485 50 40 DEGB