smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)[C@@H]1O[C@@H](Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 6821694 GWTNLHGTLIBHHZ-RMPHRYRLSA-N 397.174 0.074 50 40 GCGB Nn1c(SCC(=O)NNC(=O)c2ccccc2F)nnc1-c1cccnc1 7007796 GRYLJZPOXNUYAK-UHFFFAOYSA-N 387.400 0.746 50 40 GCGB CCOC(=O)NNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 21772641 VULNNJLZCOFPOK-UHFFFAOYSA-N 397.457 0.534 50 40 GCGB CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O 195282482 GXJABQQUPOEUTA-NVXWUHKLSA-N 384.245 0.361 50 40 GCGB world O=S(=O)(O)SCCCNCCCNCCCSS(=O)(=O)O 31716997 CVFJRQWEYQSHSJ-UHFFFAOYSA-N 382.551 0.408 50 40 GCGB O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1ccccc1 5203960 YRBMEWJXUOJZCX-CQSZACIVSA-N 385.376 0.633 50 40 GCGB NNC(=O)C(=O)N/N=C1/CCC[C@H]1C(=O)CCC(=O)Nc1ccc(Cl)cc1 102948528 ORPVAENJEJFUAI-JEHRSMSHSA-N 393.831 0.890 50 40 GCGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1 408997670 SHXZVKDVTYYMDD-UDWIEESQSA-N 376.457 0.762 50 40 GCGB Cn1c(=O)n(CC(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 22078447 RHCFDKYSWZUQPI-MRXNPFEDSA-N 382.376 0.327 50 40 GCGB O=C(NNc1ccccc1)C(=O)NNS(=O)(=O)c1ccc(CCCl)cc1 4843922 NJMFPIVCPGHDRJ-UHFFFAOYSA-N 396.856 0.921 50 40 GCGB COC(=O)CN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 100282812 KJGRXTNRSLKRDK-AXNLMSORSA-N 395.371 0.867 50 40 GCGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 58873322 JKSXNXAXANFZRR-UFFVCSGVSA-N 386.408 0.950 50 40 GCGB COCCCN(C(=O)CCl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 3278210 LLJXFNYPLBSFNK-UHFFFAOYSA-N 380.832 0.775 50 40 GCGB CCNC(=S)NNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 6447203 UKNNVZSMXXIFLJ-UHFFFAOYSA-N 382.467 0.887 50 40 GCGB COC(=O)CN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 100282809 KJGRXTNRSLKRDK-QMWCZEAPSA-N 395.371 0.867 50 40 GCGB C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3O[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 102240196 JEQFXAMKNCQDHN-QRPGVBHQSA-N 397.019 0.369 50 40 GCGB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCC(=O)NN)c(OC)c1 6263512 QBMBDASVHHHKDQ-AWEZNQCLSA-N 380.426 0.030 50 40 GCGB N#Cc1c(N2CCN(C(=O)C(=O)NN)CC2)nc(-c2ccccc2)c2c1CCC2 20649866 MAUYLWVQUIJPBX-UHFFFAOYSA-N 390.447 0.747 50 40 GCGB CCCc1c(C(=O)N/N=C2\C(=O)Nc3ccccc32)nnn1-c1nonc1N 9499509 JBJRGKXOIRZUNT-UHFFFAOYSA-N 381.356 0.271 50 40 GCGB O=C(CN1CCOCC1)N/N=C\c1ccc(O)c(I)c1 28617691 MVWVPJVFVGGXPH-NVNXTCNLSA-N 389.193 0.779 50 40 GCGB O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccncc1 408686251 REHOGZFWPDMRRD-ZKSVUJDCSA-N 380.198 0.414 50 40 GCGB Cc1nn(CCC(=O)NNC(=O)CCn2ccc([N+](=O)[O-])n2)c(C)c1[N+](=O)[O-] 2739597 OQPJYQXORLAKEQ-UHFFFAOYSA-N 394.348 0.141 50 40 GCGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OC)cc2)c1 8091886 IYTDQYREGJJPCU-SRZZPIQSSA-N 384.392 0.909 50 40 GCGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(/C#N)C(=O)NC)CC1 26779657 VXWITBLZZLTUIT-QINSGFPZSA-N 380.452 0.798 50 40 GCGB COC(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 6602267 QLJCJVUEULRQCR-CQSZACIVSA-N 392.389 0.623 50 40 GCGB COc1cc(/C=N/NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)ccc1O 1741573 FQRQDJQYGXTXMK-JDYBYSMLSA-N 385.376 0.807 50 40 GCGB COc1ccc(-c2nnn(CC(=O)NNC(=O)c3ccccc3)n2)cc1OC 917815 BAMVIMOQXYFPKW-UHFFFAOYSA-N 382.380 0.819 50 40 GCGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)NNC(=O)c1ccccc1Cl 408669868 XHRWCQJJJUDKJS-QJTIQVHXSA-N 392.795 0.842 50 40 GCGB COc1ccc(/C=N\N2CN([C@@H](C)C(=O)O)[C@@](O)(CCl)NC2=N)cc1OC 31772344 SVTFDPFPLQRUFM-UHEHDMNUSA-N 399.835 0.495 50 40 GCGB C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC[C@H]1N1CCN(C)CC1 108147889 VSHQUWZIUSALEN-VQIMIIECSA-N 398.511 0.277 50 40 GCGB CC(=O)N1CCC2(CC1)[C@@H]1CN(C(C)=O)CC=C1C(C#N)=C(N)C2(C#N)C#N 20309717 GGAODQVBXHNLDY-QGZVFWFLSA-N 378.436 0.803 50 40 GCGB CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 21771162 CSDCLWJBGGMKBX-RYUDHWBXSA-N 385.442 0.875 50 40 GCGB CC(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 22699049 FFKLJZSDSBCOKE-CQSZACIVSA-N 383.470 0.951 50 40 GCGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccn2)cc1OC 6544846 BICCVEBDAJUWLT-YBFXNURJSA-N 392.437 0.870 50 40 GCGB C=CCN1C(=O)c2ccc(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc2C1=O 25042821 RJUXANJWQNWLOI-CYBMUJFWSA-N 391.449 0.575 50 40 GCGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(CC(N)=O)c1ccccc12 2232431 XTBYLPMTSWNQLW-IBGZPJMESA-N 382.376 0.317 50 40 GCGB COc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccncc2)C1=O 9318729 BDHHBBQXPAIUNM-ZRDIBKRKSA-N 381.348 0.492 50 40 GCGB CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)C1 102364552 OCHVHRWOGALFMU-AAVRWANBSA-N 388.559 0.732 50 40 GCGB Cn1ncc2c(=O)n(CC(=O)N/N=C/c3ccn(CC(F)(F)F)n3)cnc21 252489145 JHRQLYQHSMVHPZ-RMOCHZDMSA-N 382.306 0.039 50 40 GCGB Cn1c(=O)c2c(nc(NCc3ccccc3)n2C[C@H](O)CCl)n(C)c1=O 2243858 PLXYHMGILDRIJV-GFCCVEGCSA-N 377.832 0.646 50 40 GCGB CCOC(=O)C1CCN(C(=O)CCC(=O)NNC(=O)c2ccccn2)CC1 4696093 YRZDEFXRBVLWKE-UHFFFAOYSA-N 376.413 0.425 50 40 GCGB COCCN1C(=O)C[C@H](NNC(=O)c2ccc(Br)s2)C1=O 95351772 JPJQXHRUUGCJSJ-ZETCQYMHSA-N 376.232 0.519 50 40 GCGB COC(=O)CC1=C(C(=O)OC)[C@@]2(C(=O)Nc3c(C)cccc32)C(C#N)=C(N)O1 2353921 JADDKAPOHCBALS-IBGZPJMESA-N 383.360 0.899 50 40 GCGB COc1ccccc1N1C[C@@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 25042723 COAIOIWIWDRMQI-UONOGXRCSA-N 395.481 0.540 50 40 GCGB COCc1[nH]nc2c1[C@@H](c1ccc(OCC(N)=O)c(OC)c1)C(C#N)=C(N)O2 4452934 AZTXSMQUUOZYCQ-HNNXBMFYSA-N 385.380 0.647 50 40 GCGB N#CC1=C(N)n2c(s/c(=C/c3cccnc3)c2=O)=C(C#N)[C@@H]1c1cccnc1 850187 MLPJCGWOZLDHGC-DYFCPDHGSA-N 384.424 0.651 50 40 GCGB COc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)c(OC)c1 20210885 BAVUGOYWPBSQSZ-UHFFFAOYSA-N 398.485 0.668 50 40 GCGB Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 9882901 DMIBZLBKAVWVTL-UHFFFAOYSA-N 393.469 0.291 50 40 GCGB CCCCn1nc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)ccc1=O 26538713 DDZSGRULIMPSBA-UHFFFAOYSA-N 382.424 0.934 50 40 GCGB CS(=O)(=O)Nc1ccccc1C(=O)NCCCNS(=O)(=O)CCl 78976564 DSUNLJMTHDLFTH-UHFFFAOYSA-N 383.879 0.294 50 40 GCGB C=CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 4517136 TVKQJWTYXVWAGP-FQEVSTJZSA-N 394.387 0.341 50 40 GCGB COc1ccc(C(=O)NNC(=O)COCC(=O)Nc2ccc(C#N)cc2)cc1 4698954 VCRTYQNSGMATFV-UHFFFAOYSA-N 382.376 0.983 50 40 GCGB CC1(C)CC(=O)C2=C(C1)N(CC(N)=O)C(=O)[C@@]21C(C#N)=C(N)Oc2ccccc21 4517126 ATWRFNHRGCQUKI-NRFANRHFSA-N 392.415 0.981 50 40 GCGB CC(=O)N1C(=O)[C@]2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 12351657 FNFCFMCLZSQLKS-IBGZPJMESA-N 379.328 0.398 50 40 GCGB COc1cc(CN2CC[C@@H](NC(=O)c3ccc(B(O)O)cc3)C2)cc(OC)c1 584957148 GFFISMUEFNHDCV-QGZVFWFLSA-N 384.241 0.388 50 40 GCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OC)c1 8113075 KTFRPWGLIFWGSL-CIAFOILYSA-N 388.424 0.449 50 40 GCGB O=C(NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1 17379932 TZOPGKHFXSXYIM-UHFFFAOYSA-N 385.428 0.302 50 40 GCGB O=C(NNC1=NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(c2ccccc2)C1 1461792 UYJZGNTWBBVMPJ-GFCCVEGCSA-N 384.417 0.809 50 40 GCGB CCS(=O)(=O)N1CCC[C@@H](C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)C1 103084766 OCHVHRWOGALFMU-IGQOVBAYSA-N 388.559 0.732 50 40 GCGB Cc1ccc(S(=O)(=O)CCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1 12818796 XFMVBOFXPFTNQW-AWEZNQCLSA-N 388.511 0.651 50 40 GCGB CCOC(=O)C1=C(C)N(CC(=O)OC)C(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 4517060 SFEAMWLQFZHBPV-FQEVSTJZSA-N 397.387 0.863 50 40 GCGB Cn1nnnc1SCC(=O)NNC(=O)CSc1nc2ccccc2o1 9026814 WQMPPSPUTAMCDP-UHFFFAOYSA-N 379.427 0.383 50 40 GCGB O=C(Cc1nnc(NC(=O)c2nc[nH]n2)s1)N/N=C/c1ccc(Cl)cc1 408728969 ABFJNLUQBADAIY-UBKPWBPPSA-N 390.816 1.255 50 40 GCGB CC1(C)O[C@@H]2O[C@@H](C(=O)NNC(=O)c3ccccc3)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1 4539704 BGMTWABTHDGCHS-JQIDMEAISA-N 392.408 0.844 50 40 GCGB CC(=O)Nc1ccc(S(=O)(=O)NC/C(=N/NC(N)=O)c2ccccc2)cc1 18197859 KKBFEDYHCAPCGH-PGMHBOJBSA-N 389.437 0.996 50 40 GCGB NNC(=O)C(=O)N/N=C1/CCC[C@@H]1C(=O)CCC(=O)Nc1ccc(Cl)cc1 102948531 ORPVAENJEJFUAI-CJVAQADSSA-N 393.831 0.890 50 40 GCGB COc1ccccc1N1CCN(S(=O)(=O)c2cccc(C(=O)NN)c2)CC1 225501836 VLOFJIZMIMPLIL-UHFFFAOYSA-N 390.465 0.810 50 40 GCGB CS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1 28286815 GGQNPEWFXZCXTH-UHFFFAOYSA-N 399.772 0.517 50 40 GCGB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 100159289 CRKYKLQWHFYTOY-ZVOGJXPCSA-N 381.020 0.849 50 40 GCGB CCN(CC)c1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)c(O)c1 2380392 OUXWTYPCTMJMIS-DJKKODMXSA-N 399.415 0.857 50 40 GCGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1nc2ccccc2c(=O)[nH]1 9444021 CWWCKMRJMGRSPO-UHFFFAOYSA-N 378.304 0.918 50 40 GCGB COc1ccc(/C(C[C@]2(O)C(=O)Nc3ccccc32)=N/NC(=O)NN)cc1O 17176542 WEBKRLJBDXRZOI-MNOULKQQSA-N 385.380 0.508 50 40 GCGB O=C(NNC(=O)c1cnccn1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 879163 INNHQSTWJZDGHH-UHFFFAOYSA-N 389.437 0.726 50 40 GCGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccnc2)cc1 16321322 ZXKQKIBKHROOBR-YBFXNURJSA-N 389.437 0.811 50 40 GCGB NNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 136548847 WWNJPUOJTJBCCG-BBWFWOEESA-N 395.463 0.578 50 40 GCGB C[C@@]12CCC(=O)N1[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)CS2 6943667 SGWFRQIKGDTGKN-BJOHPYRUSA-N 383.451 0.506 50 40 GCGB N#CC1=C(N)n2c(s/c(=C\c3cccnc3)c2=O)=C(C#N)[C@H]1c1cccnc1 8965465 MLPJCGWOZLDHGC-UGIZUQJLSA-N 384.424 0.651 50 40 GCGB O[C@@H]1[C@H](CI)O[C@H](Oc2ccccc2F)[C@@H](O)[C@@H]1O 2140640 DOVMHDGVJXZRFX-KNZXXDILSA-N 384.141 0.447 50 40 GCGB biogenic CCOC(=O)N1CCN(C(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)CC1 9763204 ONYDZYXXFARFLK-OQLLNIDSSA-N 383.386 0.407 50 40 GCGB O=C(CNC(=O)NCc1ccccc1)NNC(=O)c1n[nH]c(=O)c2ccccc12 17195827 GTHQXVMNPOULGS-UHFFFAOYSA-N 394.391 0.184 50 40 GCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(O)c2)c1CN1CCCC1 2801514 SNEHZTQWSZJVPM-DJKKODMXSA-N 397.399 0.298 50 40 GCGB Cn1nc(C(=O)OCC(=O)NNC(=O)c2ccc(F)cc2)c2ccccc2c1=O 6223819 DHVVLYACNHJAOX-UHFFFAOYSA-N 398.350 0.691 50 40 GCGB COc1ccc(/C=N/NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3nc2C)cc1 1020617 BIQRKXLZZGLDER-KEBDBYFISA-N 381.392 0.713 50 40 GCGB biogenic O=C(CNC(=O)c1ccccc1)NCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1 3081537 FXQCKXAFQPRZCF-UFFVCSGVSA-N 383.364 0.591 50 40 GCGB C=CCc1cccc(/C=N/NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)c1O 5748956 LUADAFGJEMDKRJ-ZVBGSRNCSA-N 396.407 0.018 50 40 GCGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(OC)c1 8091896 URLRBASSRZRMSY-SRZZPIQSSA-N 384.392 0.909 50 40 GCGB Cn1nc(C(=O)NNC(=O)CNC(=O)Cc2ccccc2)c2ccccc2c1=O 12999654 LXNXOTNGKSZWTJ-UHFFFAOYSA-N 393.403 0.053 50 40 GCGB O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C\c1ccc(OCc2ccccc2)cc1 31776240 VZUCVUOXXYJANY-FBHDLOMBSA-N 394.391 0.599 50 40 GCGB Cc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)s1 9885473 CFHVNGJZDCOZOG-UHFFFAOYSA-N 385.409 0.223 50 40 GCGB C[C@](Cl)(Br)[C@H](Br)Cn1c(=O)[nH]c(=O)[nH]c1=O 2296358 BYJCJXXTLCCIAM-WVBDSBKLSA-N 377.420 0.338 50 40 GCGB COc1ccccc1/C=C/C=N/NC(=O)Cn1cnc2c(=O)n(C)c(=O)n(C)c21 5670012 PCGHCNJGSZMIBJ-BPZAUWNOSA-N 396.407 0.258 50 40 GCGB Cc1cc(C(=O)NNC(=O)[C@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C)o1 6784909 JYTZLZDCFFRWGK-JTQLQIEISA-N 390.421 0.785 50 40 GCGB CN(C)N(C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)[C@H]1CCS(=O)(=O)C1 12786213 CNEQENJMAULEMC-ZDUSSCGKSA-N 390.465 0.449 50 40 GCGB C/C(N)=C(\C#N)C(=O)CSc1nnc2ccc(S(=O)(=O)N(C)C)cn12 95944738 LFSZHCIJQJHDQU-LUAWRHEFSA-N 380.455 0.397 50 40 GCGB CNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)NCc1ccccc1 408608655 IBDCTCGSDUSRPQ-FSJBWODESA-N 398.419 0.587 50 40 GCGB COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1NC(C)=O 575426433 SVQQZEWUSIDUSA-ZYHUDNBSSA-N 396.874 0.336 50 40 GCGB CCCCOc1ccc(/C=N/NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 2606371 KNLPNIDPOFSBIJ-RQZCQDPDSA-N 377.426 0.880 50 40 GCGB Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1 4086436 URZJPWLJLUMWPC-VXLYETTFSA-N 392.437 0.718 50 40 GCGB Cn1cc(C(=O)NN)c(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)n1 57478205 UBAODSNZFOVWJB-UHFFFAOYSA-N 398.876 0.188 50 40 GCGB O=C1[C@H]2[C@H](C(=O)N1n1cnnc1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br 110545232 RHEXKHUSPUMDAD-JTMCIWCCSA-N 390.035 0.692 50 40 GCGB CN(NC(=O)Cn1cnc2ccccc2c1=O)C1=NS(=O)(=O)c2ccccc21 872513 ZPMKYWONWWIYHI-UHFFFAOYSA-N 397.416 0.509 50 40 GCGB O=C(CI)OCCOC(=O)CI 4429255 KBCCFFGCRDUANG-UHFFFAOYSA-N 397.934 0.943 50 40 GCGB Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)s1 2376452 MAXYBLJJUCUAOX-OMCISZLKSA-N 375.418 0.428 50 40 GCGB CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)N/N=C/c2ccco2)cc1 4079706 JROLPDGYLSNQBI-VCHYOVAHSA-N 378.410 0.410 50 40 GCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccco2)c2ccccc21 100282907 PVLGLFPTUCRQLR-LTGZKZEYSA-N 384.348 0.050 50 40 GCGB O=C(Cn1nnnc1-c1ccccc1)NNC(=O)c1ccc2c(c1)OCCO2 1124558845 YQLJJLURSVPIPJ-UHFFFAOYSA-N 380.364 0.573 50 40 GCGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc2c(c1)OCCO2 100522837 ITXLEAUZWDHXDX-RGVLZGJSSA-N 378.385 0.041 50 40 GCGB COc1ccc(NCCc2ccc(-n3ncc(C(=O)NN)c3N)nn2)cc1OC 1580562 JQZOAYNVUSIMNL-UHFFFAOYSA-N 398.427 0.520 50 40 GCGB Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccccc1 7384478 QXGUGQOMWJISKP-UHFFFAOYSA-N 382.467 0.911 50 40 GCGB COc1cc(/C=N/NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)ccc1O 1741579 FQRQDJQYGXTXMK-AAWXNRKFSA-N 385.376 0.807 50 40 GCGB C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 58146738 GHIJXEPCOSSNES-VIFPVBQESA-N 399.375 0.841 50 40 GCGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O 226856615 AKZOYANTNPQIPN-UHFFFAOYSA-N 395.349 0.925 50 40 GCGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408773013 OZICSOKJOAAIAX-ODLFYWEKSA-N 390.421 0.510 50 40 GCGB COC(=O)C[C@@H]1SC2=C(C(N)=O)[C@H](c3cccs3)C(C#N)=C(N)N2C1=O 3764201 YFMFSXOAAFEFNX-ONGXEEELSA-N 390.446 0.743 50 40 GCGB C=CCc1cc(/C=N/NC(=O)CN2CCOCC2)cc(OC)c1OCC(=O)O 59248967 MDPKQCKPMWFOQU-RGVLZGJSSA-N 391.424 0.669 50 40 GCGB NNC(=O)c1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(C(=O)NN)cc2)cc1 3214564 GBBWRMNFJQQBAW-QZTJIDSGSA-N 388.380 0.050 50 40 GCGB COC(=O)c1ccccc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 6602266 QLJCJVUEULRQCR-AWEZNQCLSA-N 392.389 0.623 50 40 GCGB CN(C)N(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 12748292 YVZGXDOACHUAGM-LLVKDONJSA-N 396.437 0.789 50 40 GCGB C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)[C@@H]1COc3ccccc3O1)CS2 24765817 LGYAINOXRJZLTD-PGQWDYDZSA-N 377.422 0.428 50 40 GCGB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@@](NC(=O)CCl)(C(F)(F)F)C(=O)N2 1851583 OJLIMRJBECOJSM-LBPRGKRZSA-N 382.726 0.257 50 40 GCGB CC(C)c1c(C(=O)N/N=C/c2ccccc2C(=O)O)nnn1-c1nonc1N 2399094 DLJJMZZNCNSXFD-CNHKJKLMSA-N 384.356 0.818 50 40 GCGB CCOC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O 2207200 RUUSNZPJDPHTEO-SDNWHVSQSA-N 395.419 0.866 50 40 GCGB Cc1ccc(S(=O)(=O)NC(=O)N(C)NC(=O)C(=O)NCc2ccco2)cc1 1573840 KJWAOPRNCSLNFS-UHFFFAOYSA-N 394.409 0.266 50 40 GCGB C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 72273603 NZRZDAVIXYFUSS-CYBMUJFWSA-N 391.449 0.818 50 40 GCGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc(OC)c(Cl)c1 100808791 PHHKQOLTZYIZSW-KEBDBYFISA-N 384.820 0.932 50 40 GCGB COc1cc(/C=N\NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)ccc1O 31879852 FQRQDJQYGXTXMK-VXPBSYOQSA-N 385.376 0.807 50 40 GCGB O=C(NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccc(Cl)cc1 68215946 XFBQRZMBQHVYDQ-UHFFFAOYSA-N 379.781 0.847 50 40 GCGB C[C@@H](Br)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 2570364 CWVWFKZVQRMWRJ-RXMQYKEDSA-N 380.040 0.980 50 40 GCGB CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)CCl 4899747 BFFGVNDZOIYMKV-OFQRWUPVSA-N 390.956 0.922 50 40 GCGB CCOc1cc(/C=N/NC(=O)C(=O)NCCOC)cc(Br)c1O 7813055 QMDIEKGQYPVKRA-CAOOACKPSA-N 388.218 0.766 50 40 GCGB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNC(=O)c1ccc[nH]c1=O 12891277 LYUGYQZAPKOGNG-UHFFFAOYSA-N 398.400 0.498 50 40 GCGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccncc2)cc1OC 6583098 XZXLEOCOLQITBB-VCHYOVAHSA-N 378.410 0.527 50 40 GCGB C/C(CC(=O)Nc1ccc(NC(=O)C/C(C)=N/NC(N)=O)cc1)=N\NC(N)=O 16957804 FLJOTYONAANWLC-VGENTYGXSA-N 390.404 0.432 50 40 GCGB O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 4499493 GPYXYVFQNLUWGY-KNSSQWPOSA-N 398.213 0.923 50 40 GCGB O=C(NCCN1CCOCC1)C(=O)N/N=C/c1cc(Br)ccc1O 59483230 WBRBEQOHERVJMS-VCHYOVAHSA-N 399.245 0.053 50 40 GCGB CN(CC(=O)NNC(=O)[C@@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 32262271 XUEBHWBIKRAUCG-LBPRGKRZSA-N 375.834 0.287 50 40 GCGB O=C(CCNC(=O)c1ccncc1)NNC(=O)c1cc(Br)c[nH]1 44956012 BANYCPWDQMZOQC-UHFFFAOYSA-N 380.202 0.753 50 40 GCGB N#CC1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(N)=O)[C@H]1c1ccco1 2056700 XIOOJUQFJYPVLA-FFXRNRBCSA-N 380.385 0.009 50 40 GCGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(OCC(N)=O)c2)[C@H]2COCC=C12 2193845 IHOGMGCCONQDMY-WMZOPIPTSA-N 375.388 0.991 50 40 GCGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)NNC(=O)c1ccccc1 165688823 YPDNLNRSXKLQRJ-PYTWLRIVSA-N 399.403 0.022 50 40 GCGB COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)CNC(=O)c2ccccc2)c1 6645958 DMIGCEHIDFAXPD-FOKLQQMPSA-N 398.419 0.700 50 40 GCGB Cn1c(=O)n2n(c1=O)[C@@H]1C=C[C@H]2[C@H]2[C@H](Br)[C@H](Br)[C@@H]21 5046228 OCZZABDVLFESSM-IQBJDPKBSA-N 377.036 0.787 50 40 GCGB COc1ccc(CC(=O)NCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1 6211796 WGYPWNYUOKFDAK-NMWGTECJSA-N 380.404 0.851 50 40 GCGB CCCOc1ccc(/C=N\NC(=O)[C@H](C)Nc2n[nH]c(=O)[nH]c2=O)cc1OC 31776254 ZCVYDPUXNLWCOY-OAOMGELKSA-N 390.400 0.206 50 40 GCGB Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NN=C2CCCCC2)cc1 4416535 LRACUYODWPOPTE-UHFFFAOYSA-N 380.470 0.826 50 40 GCGB O=C(CNC(=O)c1cccc(F)c1)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 4826781 WEKATZKHESGSHC-UHFFFAOYSA-N 385.311 0.936 50 40 GCGB CN(C)N(C(=O)Cc1ccc(N2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 12793471 LQEZNOQAAVQQFI-MRXNPFEDSA-N 379.482 0.848 50 40 GCGB COc1cccc(/C=N/NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)c1O 2278007 CMNLICIZQKESAI-MSGYXIIISA-N 385.376 0.807 50 40 GCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1 6326192 ZPEWWDDJDABYEM-CIAFOILYSA-N 390.440 0.147 50 40 GCGB Cn1nc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1=O 7379981 OMCKLACLAUJFDH-UHFFFAOYSA-N 376.369 0.696 50 40 GCGB Nn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nnc1C(F)(F)F 9690925 JDZNUEMKGDODKN-UHFFFAOYSA-N 378.311 0.703 50 40 GCGB Cc1nn(C)c(F)c1/C=N/NC(=O)c1n[nH]cc1I 252479011 AZIUQJZTGSZBBT-QLKAYGNNSA-N 376.133 0.959 50 40 GCGB O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCO2 7428708 DBWKCSXHYVGLBG-UHFFFAOYSA-N 378.362 0.810 50 40 GCGB Cc1[nH]c(=O)[nH]c(=O)c1/C=N/NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 2335890 MFLDSYFPRGCTTI-MEBUONCMSA-N 381.433 0.761 50 40 GCGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cn2nc(C)cc2C)cc1 9514165 PSHLQYPORYYLHW-UHFFFAOYSA-N 393.469 0.276 50 40 GCGB O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 4499492 GPYXYVFQNLUWGY-UTUJXRGNSA-N 398.213 0.923 50 40 GCGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2cccc(OC)c2O)s1 408732663 XDZVWWBAYNIRDD-LZYBPNLTSA-N 379.398 1.514 50 40 GCGB Cn1c(=O)oc2c(C(=O)NNC(=O)[C@@H]3C(=O)Nc4ccccc4C3=O)cccc21 1625004126 SWUKVGXSGWJOBY-ZDUSSCGKSA-N 394.343 0.344 50 40 GCGB COc1cccc(NCC(=O)NNC(=O)Cn2nnc3ccccc3c2=O)c1 12534567 DPFSRUACFSOYDX-UHFFFAOYSA-N 382.380 0.060 50 40 GCGB COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)Nc3ccccc32)cc1OC 5703405 DJHCMOSECXDWCC-UHFFFAOYSA-N 382.376 0.906 50 40 GCGB Cc1cc(C(=O)NNC(=O)[C@H]2CCS(=O)(=O)C2)c(C)n1Cc1ccco1 39995712 LTWJPMOOEWCYNF-ZDUSSCGKSA-N 379.438 0.942 50 40 GCGB CCOC(=O)COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OC 409217983 RWOQRNCFAZHUND-ODLFYWEKSA-N 379.413 0.419 50 40 GCGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cn3nnnc3N)o2)cc1 8843106 ZEURLOPDOLEHAS-DJKKODMXSA-N 383.368 0.842 50 40 GCGB CC1=CC(=O)N2N[C@H](C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CS[C@@H]2N1 33433991 AOEFOAPBMUGSOQ-FFWYJHOMSA-N 376.398 0.284 50 40 GCGB CC1=CC(=O)N2N[C@H](C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CS[C@H]2N1 33433995 AOEFOAPBMUGSOQ-HWNMEKSRSA-N 376.398 0.284 50 40 GCGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccccc1O 408531174 GILSBPJSMOIYND-NIGQVMKXSA-N 384.392 0.991 50 40 GCGB CN(NC(=O)CN1C(=O)c2ccccc2C1=O)C1=NS(=O)(=O)c2ccccc21 4681265 FNGFQOLPPXPHLI-UHFFFAOYSA-N 398.400 0.395 50 40 GCGB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 102403154 VCFIDCQXCYFAGG-OKILXGFUSA-N 388.380 0.921 50 40 GCGB Cc1ccc(S(=O)(=O)NNC(=O)CN2C(=O)COc3ccccc32)cc1 8707301 QWDQQJWIDQUYGI-UHFFFAOYSA-N 375.406 0.730 50 40 GCGB O=C(CN1CCOCC1)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O 59246909 XDUVLYRWDUVMHV-VIZOYTHASA-N 387.190 0.845 50 40 GCGB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(=O)CN2CCOCC2)CC1 409008610 YQKIKYKBGQGBQE-CPNJWEJPSA-N 390.444 0.129 50 40 GCGB CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](C)Nc1n[nH]c(=O)[nH]c1=O 953430 JLNJHGDWOPZQAF-JZOCJUILSA-N 396.407 0.961 50 40 GCGB CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)cc1 2365956 WEHCDLQFHROADC-DJKKODMXSA-N 399.415 0.457 50 40 GCGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(O)cc2)cc1OC 6583059 WZPIFXANWASGDN-VCHYOVAHSA-N 393.421 0.838 50 40 GCGB COc1cc(S(=O)(=O)NNC(=O)c2ccccc2O)ccc1NC(C)=O 13058342 OOQISJWTYOJETB-UHFFFAOYSA-N 379.394 0.983 50 40 GCGB O=C(CN1CCOCC1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 58915862 RAFOOILGRHMAAS-LDADJPATSA-N 377.401 0.214 50 40 GCGB CN(CC(=O)NNC(=O)c1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 17328873 YOCMNPVFYNDONK-UHFFFAOYSA-N 382.829 0.817 50 40 GCGB O=C(Nc1cccc(C(=O)N2CCC[C@H](CO)C2)c1)c1cccc(B(O)O)c1 584971305 OOOJKDBXEPCIJY-AWEZNQCLSA-N 382.225 0.463 50 40 GCGB CCCc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(=O)N/N=C/c1ccc(O)cc1 89960522 MOSIJDKHKDTYHG-DJKKODMXSA-N 384.396 0.232 50 40 GCGB Cc1cc(C)n(CC(=O)NNC(=O)CCN2C(=O)NC3(CCCCC3)C2=O)n1 15758406 YKAMSJSRDYKAFR-UHFFFAOYSA-N 390.444 0.292 50 40 GCGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1n1cnnc1 245284287 RHEXKHUSPUMDAD-NZJLWHDDSA-N 390.035 0.692 50 40 GCGB CC1=C(NC(=O)C(=O)NNC(=O)c2ccncc2)C(=O)c2ccccc2C1=O 1630186 JLLDAARTRYEGQW-UHFFFAOYSA-N 378.344 0.312 50 40 GCGB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C/c1ccccc1O 2689511 DLOPNEDHLAUMLN-VCHYOVAHSA-N 391.405 0.592 50 40 GCGB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NNC(N)=O)C1=O 408531535 OJISUELUHQSMGH-RMKNXTFCSA-N 396.201 0.651 50 40 GCGB COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCC(=O)O 408993264 VIRYEWNCCSNKGY-LSCVHKIXSA-N 385.804 0.594 50 40 GCGB O=C(N/N=C\c1ccccc1C(=O)O)C(=O)N/N=C/c1ccccc1C(=O)O 17313454 ZHQPUTANDXHQJG-KFSYKRRRSA-N 382.332 0.683 50 40 GCGB CC(=O)OC[C@H]1O[C@@H](N=C=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4202726 WOWNQYXIQWQJRJ-CAEXGNQWSA-N 389.382 0.172 50 40 GCGB COc1cc(OC)c(/C=N/NC(=O)Cn2nnc(N)n2)cc1Br 1247331 RYXJEVIJSXNOSX-PJQLUOCWSA-N 384.194 0.185 50 40 GCGB CCCc1c(C(=O)N/N=C/c2ccccc2C(=O)O)nnn1-c1nonc1N 1873778 QUMZWDDZSCRMTH-QGMBQPNBSA-N 384.356 0.647 50 40 GCGB CCCn1c(O)c(C(=O)NNC(=O)CC(=O)OCC)c(=O)c2ccccc21 5894462 SPWKWEYXBCIAMX-UHFFFAOYSA-N 375.381 0.831 50 40 GCGB CCCn1nc(C(=O)NNC(=O)NCC(=O)OCC)c2ccccc2c1=O 2652826 QMZNOJGIFOCVAC-UHFFFAOYSA-N 375.385 0.314 50 40 GCGB COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4521091 GWTNLHGTLIBHHZ-KQSJRHEJSA-N 397.174 0.074 50 40 GCGB CCOCOCN(c1noc(C)c1C)S(=O)(=O)c1ccccc1B(O)O 675082885 ZUVYGHNATRTFDL-UHFFFAOYSA-N 384.219 0.135 50 40 GCGB CCCc1c(C(=O)N/N=C/c2ccc(C(=O)OC)cc2)nnn1-c1nonc1N 9498726 VUGGDONFWFLGQL-DJKKODMXSA-N 398.383 0.736 50 40 GCGB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 13148561 VCFIDCQXCYFAGG-KBPBESRZSA-N 388.380 0.921 50 40 GCGB Cc1ccc(C(=O)NNC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)cc1 14135702 OPWPHXSTOYXBIL-UHFFFAOYSA-N 399.451 0.617 50 40 GCGB COc1ccc(O[C@@H]2O[C@H](CI)[C@@H](O)[C@H](O)[C@H]2O)cc1 4026733 JMQFPGJMCBIMAJ-UJPOAAIJSA-N 396.177 0.317 50 40 GCGB biogenic COCCOC(=O)CCC(=O)NC(=S)NNC(=O)Cc1ccc(OC)cc1 8568575 UXBZPRAZFQNIOK-UHFFFAOYSA-N 397.453 0.229 50 40 GCGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OCC(N)=O 8747904 PZMHKLKKSKARQN-INIZCTEOSA-N 399.359 0.223 50 40 GCGB COc1ccc(/C(=N\NC(N)=O)[C@@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 5808839 AOEOXWMQNTWQRN-HDAKKWKLSA-N 385.336 0.816 50 40 GCGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1 6953865 ZCVSCAOTRKOSGR-YDZHTSKRSA-N 382.420 0.968 50 40 GCGB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1ccc(F)cc1 7653015 GRWQKHLIIHPBDE-UHFFFAOYSA-N 390.396 0.716 50 40 GCGB O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1csc(N2CCOCC2)n1 12802492 BOZWTOZOKMVQBH-UHFFFAOYSA-N 377.382 0.963 50 40 GCGB COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 32990995 VXBLKMAXFRSTBD-GUYCJALGSA-N 379.438 0.919 50 40 GCGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)cc1)C(=O)N1CCOCC1 409021007 WSYLDABFGLKCFM-LGMDPLHJSA-N 385.420 0.690 50 40 GCGB CCn1nc(C(=O)NNC(=S)NC[C@@H]2CCCO2)c2ccccc2c1=O 7639940 GCIGAESOZKNRAQ-NSHDSACASA-N 375.454 0.704 50 40 GCGB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@H]1Cl 575426320 QZGUPZNILRZZTG-GHMZBOCLSA-N 396.874 0.336 50 40 GCGB CCn1nc(C(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C)c2ccccc2c1=O 32906334 PUAJUKGQOGKNOF-NSHDSACASA-N 387.440 0.728 50 40 GCGB COCCCNC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2ccccn2c1=O 2203164 IZZQHPUNWRURCT-FYWRMAATSA-N 397.435 0.591 50 40 GCGB COc1cccc(N2C(=O)/C(=C/NNC(=O)c3ccncc3)C(=O)NC2=S)c1 4812595 BLDFDBGJJYVYRP-GXDHUFHOSA-N 397.416 0.656 50 40 GCGB CC1(C)O[C@@H]2O[C@@H](C(=O)NNC(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1 4539701 BGMTWABTHDGCHS-RFJMFJJWSA-N 392.408 0.844 50 40 GCGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1n1cnnc1 4279306 RHEXKHUSPUMDAD-YXZCBUPGSA-N 390.035 0.692 50 40 GCGB Cc1csc(=O)n1CC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 12848192 AXWXJJROSXACIR-UHFFFAOYSA-N 394.365 0.131 50 40 GCGB CCOc1ncccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1 12803209 SMQDJTGLQMHMQQ-UHFFFAOYSA-N 377.426 0.848 50 40 GCGB NS(=O)(=O)c1ccc(CCN(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)cc1 40177591 VJGFPRTVJJOIFX-LBPRGKRZSA-N 394.902 0.131 50 40 GCGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1 4504289 OMYOPSANIZCSPS-ZFWWWQNUSA-N 393.359 0.897 50 40 GCGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 5500891 HMMSWRMWSFBFDR-NKFKGCMQSA-N 394.387 0.685 50 40 GCGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OCC(N)=O 8747908 PZMHKLKKSKARQN-MRXNPFEDSA-N 399.359 0.223 50 40 GCGB COc1cccc(C(=O)NCC(=O)NNC(=O)Cc2nc3ccccc3n2C)c1 5267551 LSDYVALFLCAASG-UHFFFAOYSA-N 395.419 0.702 50 40 GCGB CNC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O 2201523 ZDNNGCFWXGWTCV-JLHYYAGUSA-N 380.408 0.049 50 40 GCGB O=C(NNS(=O)(=O)c1ccc(F)cc1)c1csc(N2CCOCC2)n1 7384512 CNXCCFCMQWGGQI-UHFFFAOYSA-N 386.430 0.742 50 40 GCGB CC(=O)OC[C@@H]1O[C@H](N=C=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 256009348 WOWNQYXIQWQJRJ-JARUQAPTSA-N 389.382 0.172 50 40 GCGB O=C1N=C(O)N(CCc2ccccc2)C(=O)/C1=C\NNC(=O)c1ccncc1 17138544 WJGRSDARLVNQGH-QINSGFPZSA-N 379.376 0.725 50 40 GCGB Cc1ccc(S(=O)(=O)NC(=O)NNC(=O)C(=O)Nc2ccc(F)cc2)cc1 1574207 DONXPOYPJHKIIJ-UHFFFAOYSA-N 394.384 0.792 50 40 GCGB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]2C1=O)[C@H](Br)[C@@H]3Br 4017421 CRKYKLQWHFYTOY-MYDYCOGESA-N 381.020 0.849 50 40 GCGB Cc1nc2c(cc1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1)c(=O)n(C)c(=O)n2C 31871231 SBIYCHORJOJXNT-OCKHKDLRSA-N 396.363 0.613 50 40 GCGB Cc1ccc(OCC(=O)NNC(=O)C(=O)N2CCCC2)c(Br)c1 4691547 NCKIXZFRMYKXOT-UHFFFAOYSA-N 384.230 0.906 50 40 GCGB CCS(=O)(=O)N(C)CC(=O)NNC(=O)CSc1ccc(Cl)cc1 79018019 JDUUZHLISOCRAE-UHFFFAOYSA-N 379.891 0.861 50 40 GCGB C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 95449875 VSHQUWZIUSALEN-APWZRJJASA-N 398.511 0.277 50 40 GCGB O=C(NNS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccc([N+](=O)[O-])cc1 226859758 QJAGQZNSORPNOK-UHFFFAOYSA-N 390.333 0.102 50 40 GCGB COC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(/C=N/O)nc2)c2ccccc21 5793941 FQJSDTLVBDYLEA-GVIZQGAVSA-N 381.348 0.543 50 40 GCGB CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 21771165 CSDCLWJBGGMKBX-VXGBXAGGSA-N 385.442 0.875 50 40 GCGB COc1cc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C2C)cc(OC)c1OC(C)=O 100327037 CLKLYSMXTKQIPC-MEBUONCMSA-N 376.369 0.591 50 40 GCGB C[C@@H]1CC[C@]23CC[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]12C(C=O)=CC3(C)C 253389250 CPNJZUTZDMXCTF-KBCGOPLASA-N 396.480 0.533 50 40 GCGB biogenic,in-vitro Cc1occc1C(=O)NNC(=O)CCCC(=O)NNC(=O)c1ccoc1C 2134193 KSDKFNZKNOAGOJ-UHFFFAOYSA-N 376.369 0.882 50 40 GCGB CN(C)c1cccc(C(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 17250295 DTNIVJIRDKZTJG-UHFFFAOYSA-N 387.440 0.768 50 40 GCGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)COc2c(C)cccc2C)n(C)c1 29695931 REIAGTDGVMEFIM-UHFFFAOYSA-N 394.453 0.390 50 40 GCGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(C(F)(F)F)[nH]c1=O 8704132 LTSRQSDSPHHCTQ-UHFFFAOYSA-N 393.281 0.705 50 40 GCGB CCCOc1ccc(/C=N\NC(=O)[C@@H](C)Nc2n[nH]c(=O)[nH]c2=O)cc1OC 31776251 ZCVYDPUXNLWCOY-PQQLAPNWSA-N 390.400 0.206 50 40 GCGB CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)C)=C\c1ccco1 9456397 DNJOVXUVFSRMNW-IOCKYHLHSA-N 385.388 0.706 50 40 GCGB CN(CC(=O)NNC(=O)[C@H]1CCCO1)S(=O)(=O)c1ccc(Cl)cc1 32262272 XUEBHWBIKRAUCG-GFCCVEGCSA-N 375.834 0.287 50 40 GCGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccnc2)c1 35104957 LMYZKSYMFHECSW-ODLFYWEKSA-N 392.437 0.870 50 40 GCGB COC(=O)CC1=C(C(=O)OC)[C@]2(C(=O)Nc3c(C)cccc32)C(C#N)=C(N)O1 2353923 JADDKAPOHCBALS-LJQANCHMSA-N 383.360 0.899 50 40 GCGB Cc1nnc(SCC(=O)NNC(=O)CSc2nnc(N)s2)s1 13945457 CRAIXLQRDYQOHJ-UHFFFAOYSA-N 377.502 0.312 50 40 GCGB COc1cc(/C=N\NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)ccc1O 31879847 FQRQDJQYGXTXMK-INLLTYMYSA-N 385.376 0.807 50 40 GCGB CN1C(=O)C(=CNNC(=O)CSc2ccc(Cl)cc2)C(=O)N(C)C1=O 6541741 APJPZPAGZNTKCB-UHFFFAOYSA-N 382.829 0.987 50 40 GCGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 6578708 XNLDAQMYZIMXAG-SRZZPIQSSA-N 384.392 0.909 50 40 GCGB COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)cc1OC 100711683 AMQCFVZDMBHUHE-PTGBLXJZSA-N 396.403 0.931 50 40 GCGB CCN(CC)Cc1c(C(=O)N/N=C/c2cccnc2)nnn1-c1nonc1N 1821349 ZGXZCIFWNUESGI-DJKKODMXSA-N 384.404 0.233 50 40 GCGB CN(C)N(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 5298359 KQYNKHOKHVEAST-CYBMUJFWSA-N 389.499 0.043 50 40 GCGB Cn1nc(C(=O)NNS(=O)(=O)c2cccc(F)c2)c2ccccc2c1=O 7379986 ZHCUCDCIQDYRCT-UHFFFAOYSA-N 376.369 0.696 50 40 GCGB O=C(CCn1nc(-c2cccs2)oc1=O)NNC(=S)NC[C@@H]1CCCO1 15707340 XOJWEIGTZKVAQB-JTQLQIEISA-N 397.482 0.629 50 40 GCGB C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)C(=O)NCCO 14922680 VNSHQZIRVGZHQG-UFWORHAWSA-N 375.212 0.923 50 40 GCGB O=C(NNC(=O)c1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 891450 LSBBDWPMSNAGHT-UHFFFAOYSA-N 395.462 0.844 50 40 GCGB CN(CC(=O)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)C(N)=O 15667891 HVTHPDOVQKWEIX-UHFFFAOYSA-N 381.392 0.762 50 40 GCGB Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3CCC(C(N)=O)CC3)nc12 5562977 YMDOVUSZMJFQMT-UKTHLTGXSA-N 380.408 0.097 50 40 GCGB O=S(=O)(NC[C@H](O)CN1CCOCC1)c1ccc(CCCCl)cc1 84397983 NLOZZMKQWUYEGE-HNNXBMFYSA-N 376.906 0.829 50 40 GCGB CCOC(=O)CNC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1889020545 BUHMQGMPQAPVEC-CYBMUJFWSA-N 378.454 0.094 50 40 GCGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(C)o1 2242801 LQKWDSWGVWXVMZ-QGMBQPNBSA-N 387.404 0.740 50 40 GCGB O=C1[C@@H](Br)[C@H](N2CCN(CCO)CC2)C=NN1c1ccccc1 19899312 VVGHAPIZSJMFGO-CABCVRRESA-N 381.274 0.761 50 40 GCGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(OCC(N)=O)c2)[C@@H]2COCC=C12 20000575 IHOGMGCCONQDMY-SJLPKXTDSA-N 375.388 0.991 50 40 GCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1 58873410 CYKNTDRRRBQZNF-SSDVNMTOSA-N 384.392 0.727 50 40 GCGB O=C(O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)c1 575426087 MHLDANGXQGOPIU-DTWKUNHWSA-N 388.250 0.721 50 40 GCGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1 8103394 QJMNEQUWHFHMNE-FYJGNVAPSA-N 390.440 0.291 50 40 GCGB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)[C@@H]1COc2ccccc2O1 40143536 JMHJKAJZSRIOSD-LBPRGKRZSA-N 395.393 0.145 50 40 GCGB O=C1C[C@@]2(C[C@H](O)CO)C[C@@H](O1)[C@@H](I)CC21OCCO1 5600060 PBOWNWIIYAMDIG-UXCLJVHYSA-N 398.193 0.372 50 40 GCGB O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@H]1CCCO1 32257802 LGMKRQODBNLCND-BCFZYGEVSA-N 378.473 0.971 50 40 GCGB COc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccncc3)C2=O)cc1 2197922 IKKCAELIMPDXSJ-GXDHUFHOSA-N 381.348 0.492 50 40 GCGB O=C(CN1C(=O)COc2ccccc21)NNS(=O)(=O)c1ccc(F)cc1 7404321 LHVIQMNISQYBPW-UHFFFAOYSA-N 379.369 0.561 50 40 GCGB CC(C)(C)NC(=O)C(=O)NNC(=O)c1ccccc1I 3664696 AIVPHPXNJCEOIX-UHFFFAOYSA-N 389.193 0.967 50 40 GCGB Cn1c(=O)n2n(c1=O)[C@@H]1C=C[C@H]2[C@@H]2[C@@H]1[C@H](Br)[C@@H]2Br 5046229 OCZZABDVLFESSM-ZYWBIDCJSA-N 377.036 0.787 50 40 GCGB Cc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1 7384510 JEFVKVVMTZFXDE-UHFFFAOYSA-N 382.467 0.911 50 40 GCGB COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1 58884246 ZXSNWMFWNSIBHV-SSDVNMTOSA-N 384.392 0.326 50 40 GCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58873403 AJCZBWXYBKRIQF-RSFOSLOZSA-N 388.424 0.113 50 40 GCGB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OCC(=O)NN)c(OC)c1 6463344 ONZUCLKEMJVZBY-HNNXBMFYSA-N 378.385 0.255 50 40 GCGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(Br)cc1 59483803 COIDUXGCGHDLLW-XDHOZWIPSA-N 397.273 0.738 50 40 GCGB O=C1C[C@@]2(C[C@H](O)CO)C[C@H](O1)[C@H](I)CC21OCCO1 104227859 PBOWNWIIYAMDIG-MIZYBKAJSA-N 398.193 0.372 50 40 GCGB CCn1nc(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])nc2C)c2ccccc2c1=O 58023782 BGEGHEFNFLXPML-UHFFFAOYSA-N 399.367 0.291 50 40 GCGB CSCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 5269899 UGRKYBZTBIFIDE-LLVKDONJSA-N 376.442 0.628 50 40 GCGB O=C(CNC(=O)c1ccc2c(c1)OCCO2)N/N=C1\C(=O)Nc2ccccc21 101193088 LBKLPMKXDHTWFZ-UHFFFAOYSA-N 380.360 0.660 50 40 GCGB O=C(CC(=O)N/N=C1\C(=O)Nc2ccccc21)N/N=C1\C(=O)Nc2ccccc21 6062555 BYWDCAYDCNSYGV-UHFFFAOYSA-N 390.359 0.322 50 40 GCGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H]1Cc2ccccc2CN1S(C)(=O)=O 4013653 QDFDZOSFDQMPFZ-SZGZABIGSA-N 377.422 0.241 50 40 GCGB Cn1c(CC(=O)NNC(=O)CNC(=O)Cc2ccccc2)nc2ccccc21 5267585 RCZWHSGNJBEWKA-UHFFFAOYSA-N 379.420 0.622 50 40 GCGB N#Cc1c(N2CCN(C(=O)C(=O)NN)CC2)nc(-c2ccco2)c2c1CCCC2 20650024 HFGUTPXNBQKLJV-UHFFFAOYSA-N 394.435 0.731 50 40 GCGB COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccnn2C)cc1OC 2370636 MLNZRMPMOWUNBG-FNORWQNLSA-N 389.437 0.786 50 40 GCGB O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1n1cnnc1 101052567 RHEXKHUSPUMDAD-MPZDYKMXSA-N 390.035 0.692 50 40 GCGB CC(=O)N[C@H](C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)C(C)C 12944743 ULYUPGRVUBJGGC-HNNXBMFYSA-N 387.440 0.899 50 40 GCGB CCN(CC)c1ccc(C(=O)NNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 12590859 GNMWWSNSICJKMQ-UHFFFAOYSA-N 396.513 0.965 50 40 GCGB O=C(NNS(=O)(=O)c1cncc(F)c1)c1csc(N2CCOCC2)n1 58005190 XIYUESPJYJYCJC-UHFFFAOYSA-N 387.418 0.137 50 40 GCGB CCOc1cc(C#N)ccc1OCC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 8394498 AIVVMWRFIKDOHG-ZDUSSCGKSA-N 395.437 0.308 50 40 GCGB Cn1c(SCC(=O)NNC(=O)c2cccs2)nnc1-c1cnccn1 15023305 WWZWBTIEDQVBLY-UHFFFAOYSA-N 375.439 0.887 50 40 GCGB CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)cc1 2263481 JOJCJBDOYBHIKW-DJKKODMXSA-N 383.416 0.620 50 40 GCGB CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 3299428 NXUYUQZXSUVLPC-UHFFFAOYSA-N 391.405 0.213 50 40 GCGB CCS(=O)(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2C)C1 18192214 KYECUNXSFZFAEW-CYBMUJFWSA-N 389.499 0.366 50 40 GCGB O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccccc1O 408531169 GILSBPJSMOIYND-HSYGISITSA-N 384.392 0.991 50 40 GCGB COC(=O)c1ccccc1S(=O)(=O)NNC(=O)Nc1nc(C)cc(C)n1 584577928 YLSNISSWFDAYQY-UHFFFAOYSA-N 379.398 0.895 50 40 GCGB C[C@@](Cl)(Br)[C@@H](Br)Cn1c(=O)[nH]c(=O)[nH]c1=O 2296359 BYJCJXXTLCCIAM-NOWQDGDBSA-N 377.420 0.338 50 40 GCGB CC(C)Oc1ccc(C(=O)NNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)cc1 15915257 LASPNAIOZYCHSG-UHFFFAOYSA-N 396.403 0.938 50 40 GCGB COc1nc(N)nc(N2CCCC2)c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1 40050004 IZQDXDAEVDRWFP-LKKXKRCMSA-N 398.423 0.958 50 40 GCGB COCc1cc(C)n(CC(=O)NN=C2C(=O)Nc3ccccc32)c(=O)c1C#N 409222965 DWXAYRFWBXVXRQ-UHFFFAOYSA-N 379.376 0.647 50 40 GCGB CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)N1)C(C#N)=C(N)Oc1ccccc12 4517185 SJCQLNOFBVBMII-FQEVSTJZSA-N 397.387 0.911 50 40 GCGB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN)cc1OC 4980115 YKXVDIDLRCTOMJ-UHFFFAOYSA-N 393.465 0.927 50 40 GCGB O=C(Cn1cc(C(F)(F)F)ccc1=O)NNC(=O)[C@@H]1COc2ccccc2O1 25163393 MEWDAZFIMAUIBC-ZDUSSCGKSA-N 397.309 0.855 50 40 GCGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)n(C)c1 29709621 WEOWATILWVCHDF-UHFFFAOYSA-N 389.437 0.418 50 40 GCGB O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)c1ccc2c(c1)OCO2 9909942 DCHGJYBWJZJWPK-UHFFFAOYSA-N 397.434 0.606 50 40 GCGB COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1cc(Cl)ccc1OC 5287914 FKFYLFDKGKUJLE-KEBDBYFISA-N 384.820 0.932 50 40 GCGB Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)c3ccc(=O)n(C)n3)ccc12 7781574 NFICEAUGBJIAOT-UHFFFAOYSA-N 384.348 0.035 50 40 GCGB C/C(=N\NC(=O)c1nn(C)c(=O)c2ccccc12)c1ccc(OCC(N)=O)cc1 8428401 NHEBHUWQZLSHBJ-WSDLNYQXSA-N 393.403 0.952 50 40 GCGB O=C(CI)NCC(=O)Nc1ccc(C(=O)O)c(O)c1 1691125 NXWYHEQVRKTZRT-UHFFFAOYSA-N 378.122 0.580 50 40 GCGB COCCn1nc(C(=O)NNC(=O)COc2ccc3ccccc3c2)ccc1=O 40017281 XIFMCVOFNPUAMW-UHFFFAOYSA-N 396.403 0.883 50 40 GCGB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)NNC(=O)c1ccccc1Cl 408669875 XHRWCQJJJUDKJS-WTCRDEDPSA-N 392.795 0.842 50 40 GCGB O=C(NNS(=O)(=O)c1ccc2nc(O)oc2c1)c1ccc2c(c1)OCCO2 32869175 BBOMVRDYRRMSGS-UHFFFAOYSA-N 391.361 0.928 50 40 GCGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1 12858842 PZXWQTXJQBAUFF-UHFFFAOYSA-N 378.362 0.825 50 40 GCGB CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)COc2cccc(F)c2)cc1 3372327 JVBLQHDIBBVABD-UHFFFAOYSA-N 395.412 0.916 50 40 GCGB CCCn1c(O)c(C(=O)NNC(=O)CCC(=O)OC)c(=O)c2ccccc21 6511032 ZRALREIARQTRNP-UHFFFAOYSA-N 375.381 0.831 50 40 GCGB CC(=O)N[C@H](CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 9376538 UHDCINVHVJDVEH-QGZVFWFLSA-N 393.407 0.691 50 40 GCGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1ccc(C(=O)O)cc1 1782454 HLNODIYSHAJOAF-BCUFPXHISA-N 383.360 0.791 50 40 GCGB COc1cccc(/C=N\NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)c1O 8615635 HGGFKPNZBFGOHM-KFSYKRRRSA-N 386.364 0.715 50 40 GCGB C[C@@H]1CC[C@]23CC[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]12C(C=O)=CC3(C)C 35455677 CPNJZUTZDMXCTF-WRAVTXEPSA-N 396.480 0.533 50 40 GCGB biogenic,in-vitro Cn1c(CC(=O)NNC(=O)Cc2n[nH]c(=O)c3ccccc23)nc2ccccc21 9219981 NIRYTMHOVYHPAW-UHFFFAOYSA-N 390.403 0.742 50 40 GCGB Cc1ccc(N2C[C@@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)cc1 24969269 AZRWKWDRCGIXGE-GOEBONIOSA-N 379.482 0.840 50 40 GCGB Cc1cc(C(=O)NNC(=O)CC[C@H]2NC(=O)NC2=O)c(C)n1-c1ccccc1 40161053 PFOIGJDQPJWITF-OAHLLOKOSA-N 383.408 0.843 50 40 GCGB O=C(C[C@@H]1CCS(=O)(=O)C1)NNS(=O)(=O)c1ccc(F)cc1Cl 12871034 TUFZQQWCIZNFOR-QMMMGPOBSA-N 384.838 0.613 50 40 GCGB O=C(NCCCl)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 2208180 XPRDDHMYWLZCOI-UHFFFAOYSA-N 389.846 0.632 50 40 GCGB Cc1nn2cc(Br)cnc2c1S(=O)(=O)NNC(=O)C(C)C 585138447 QZXDBLHTALBNDH-UHFFFAOYSA-N 376.236 0.766 50 40 GCGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c1O 2394153 QWXANWQBAUZPQB-CNHKJKLMSA-N 386.372 0.834 50 40 GCGB O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccccc1 4493005 BKAHJJAGYKWZLR-UHFFFAOYSA-N 380.360 0.470 50 40 GCGB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2cccn2C)cc1 14197241 JHFVTQHUFQRENU-INIZCTEOSA-N 390.465 0.948 50 40 GCGB CC(=O)N1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21 12351664 FNFCFMCLZSQLKS-LJQANCHMSA-N 379.328 0.398 50 40 GCGB CN(C)N(C(=O)CCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 12818805 IPWCBPRZSQOQHD-LBPRGKRZSA-N 379.438 0.165 50 40 GCGB CN(C)N(C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)[C@@H]1CCS(=O)(=O)C1 12786208 CNEQENJMAULEMC-CYBMUJFWSA-N 390.465 0.449 50 40 GCGB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2cccn2C)cc1 14197240 JHFVTQHUFQRENU-MRXNPFEDSA-N 390.465 0.948 50 40 GCGB CCCc1n[nH]c2c1[C@@]1(C(=O)N(CC(N)=O)c3ccccc31)C(C#N)=C(N)O2 5884017 UQSMNUPUZVKZCE-IBGZPJMESA-N 378.392 0.566 50 40 GCGB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccccc1 6171665 QSTFRNBPYVWPRI-ZIAGYGMSSA-N 387.392 0.166 50 40 GCGB O=C1C[C@@]2(C[C@H](O)CO)C[C@H](O1)[C@@H](I)CC21OCCO1 104227853 PBOWNWIIYAMDIG-QFOLPQNPSA-N 398.193 0.372 50 40 GCGB Cc1ccc(NCC(=O)NNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cc1 12609081 WEZCTANJSMBQKP-UHFFFAOYSA-N 384.392 0.713 50 40 GCGB CN(C)Cc1c(C(=O)N/N=C/c2ccc(F)cc2F)nnn1-c1nonc1N 2233024 CSMQPGJAMZSRDA-KPSZGOFPSA-N 391.342 0.336 50 40 GCGB COC(=O)c1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1 5719964 JJQKNJTZPZTSBM-WOJGMQOQSA-N 375.406 0.902 50 40 GCGB O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)COc1ccccc1F 6560061 NAUALNWPRVGAFA-UHFFFAOYSA-N 395.412 0.721 50 40 GCGB O=C(CN1C(=O)CCOc2ccccc21)NNC(=O)[C@@H]1COc2ccccc2O1 39982772 RTYPBEAFRQFVOT-KRWDZBQOSA-N 397.387 0.790 50 40 GCGB CCOC(=O)Cc1n[nH]c2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 5248755 RALVVJVZAAKSIX-LJQANCHMSA-N 379.376 0.864 50 40 GCGB COCCNS(=O)(=O)c1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1 14514660 HJFZZVZKNXTTHU-UHFFFAOYSA-N 379.442 0.775 50 40 GCGB CCCCCn1nc(C(=O)NNC(=O)Cn2cncn2)c2ccccc2c1=O 32904271 RVMOZYCUCKHMTK-UHFFFAOYSA-N 383.412 0.639 50 40 GCGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccn2)c1 16187517 SQMOKODWJXJNOI-ODLFYWEKSA-N 392.437 0.870 50 40 GCGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)co1 89392320 HJBLNYIBQIUNPT-UHFFFAOYSA-N 383.382 0.280 50 40 GCGB C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)[C@H]1COc3ccccc3O1)CS2 105665284 LGYAINOXRJZLTD-JUKMUDQWSA-N 377.422 0.428 50 40 GCGB CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)C1 103084763 OCHVHRWOGALFMU-XDQVBPFNSA-N 388.559 0.732 50 40 GCGB COC(=O)C[C@H]1SC2=C(C(N)=O)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O 3764204 YFMFSXOAAFEFNX-MWLCHTKSSA-N 390.446 0.743 50 40 GCGB Cc1ccc(N2C[C@@H](C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)cc1 24969277 AZRWKWDRCGIXGE-HOCLYGCPSA-N 379.482 0.840 50 40 GCGB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1O 5119661 CDXKVUBRMBUXQT-NTEUORMPSA-N 398.350 0.928 50 40 GCGB O=C(CN1CCOCC1)NNCC(=O)Nc1nc(-c2ccccc2)cs1 66091665 GZQGMNZRJORCDB-UHFFFAOYSA-N 375.454 0.702 50 40 GCGB C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)C(=O)NCCO 100032669 GLZNRXUWFYJJGE-GIJQJNRQSA-N 385.218 0.378 50 40 GCGB O[C@@H]1[C@H](CI)O[C@@H](Oc2ccccc2F)[C@H](O)[C@@H]1O 4042335 DOVMHDGVJXZRFX-VSSNEEPJSA-N 384.141 0.447 50 40 GCGB Cn1c(=O)c2c(nc(NCc3ccccc3)n2C[C@@H](O)CCl)n(C)c1=O 4277663 PLXYHMGILDRIJV-LBPRGKRZSA-N 377.832 0.646 50 40 GCGB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1n1cnnc1 245284286 RHEXKHUSPUMDAD-NUJDXYNKSA-N 390.035 0.692 50 40 GCGB O=C(CN1CCOCC1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 408735008 IZGPNQFAWKDPSU-VIZOYTHASA-N 387.190 0.845 50 40 GCGB CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)C 2366757 PYBXGRUDMXPKDW-DJKKODMXSA-N 399.415 0.457 50 40 GCGB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 409237361 IIGQFNVQDSNLCJ-JYRVWZFOSA-N 387.421 0.843 50 40 GCGB C[C@@H]1CC[C@]23CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]12C(C=O)=CC3(C)C 253389251 CPNJZUTZDMXCTF-MNHLHMGBSA-N 396.480 0.533 50 40 GCGB biogenic,in-vitro Cn1cc(C(=O)NNC(=O)C2CCC3(CC2)NC(=O)NC3=O)c2ccccc21 65563061 KXGUNWRAXLLJNW-UHFFFAOYSA-N 383.408 0.708 50 40 GCGB COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1 6579923 VNGVZMLGNXEQPE-LPYMAVHISA-N 398.419 0.917 50 40 GCGB C[C@@](Cl)(Br)[C@H](Br)Cn1c(=O)[nH]c(=O)[nH]c1=O 2296357 BYJCJXXTLCCIAM-NFNCENRGSA-N 377.420 0.338 50 40 GCGB COc1ccc(/C(=N/NC(N)=O)[C@@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 17176525 AOEOXWMQNTWQRN-LCJWNIEWSA-N 385.336 0.816 50 40 GCGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC(=O)OC 409002149 YISBDFXQSPRYRH-ODLFYWEKSA-N 379.413 0.419 50 40 GCGB CCNC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2ccccn2c1=O 2205416 XYPRSBGTAAYXMN-SDNWHVSQSA-N 394.435 0.439 50 40 GCGB Cc1nc2c(cc1C(=O)N/N=C/c1ccc(N(C)C)cc1)c(=O)n(C)c(=O)n2C 3073589 CKRJDOOFHNPJNE-SRZZPIQSSA-N 394.435 0.771 50 40 GCGB CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)N/N=C/c2cccs2)cc1 4079708 WHBAJXYNWFWNDQ-VCHYOVAHSA-N 394.478 0.879 50 40 GCGB CCn1nc(C(=O)NNC(=O)CNC(=O)c2cccs2)c2ccccc2c1=O 6558051 FWAKGXQKNSQGOV-UHFFFAOYSA-N 399.432 0.669 50 40 GCGB CN1CCN(CN2C(=O)/C(=N\NC(=O)c3ccccn3)c3ccccc32)CC1 20220172 QZEASIBQDSAGPP-PYCFMQQDSA-N 378.436 0.767 50 40 GCGB COCCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2O)cc1 25056850 GCGGIPYGJKVJEA-UHFFFAOYSA-N 393.421 0.392 50 40 GCGB COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 4521090 GWTNLHGTLIBHHZ-OOCWMUITSA-N 397.174 0.074 50 40 GCGB COc1ccc(CC(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 24460585 IIKHSKYESANIDB-RCBQFDQVSA-N 385.420 0.725 50 40 GCGB CN(C)Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2)nnn1-c1nonc1N 2195124 RWGSFQBZHIWLNO-CNHKJKLMSA-N 389.807 0.711 50 40 GCGB CC(=O)N[C@@H](C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)C(C)C 12944738 ULYUPGRVUBJGGC-OAHLLOKOSA-N 387.440 0.899 50 40 GCGB Nc1nnn(CC(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)n1 31870168 AXMILOXPNLMJGC-OCKHKDLRSA-N 396.367 0.893 50 40 GCGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCl)c1 3225611 SSZALKOAVQOQQU-UHFFFAOYSA-N 376.866 0.900 50 40 GCGB CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)N1)C(C#N)=C(N)Oc1ccccc12 4517187 SJCQLNOFBVBMII-HXUWFJFHSA-N 397.387 0.911 50 40 GCGB CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 6326183 ZWTSJQPIBHCWTO-CIAFOILYSA-N 390.440 0.147 50 40 GCGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)[C@@H]1COc2ccccc2O1 13021243 RHIQXXJREHVJOQ-INIZCTEOSA-N 399.359 0.133 50 40 GCGB CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](F)[C@H](n2ccc(O)nc2=O)OC1(CO)CO 606302912 FQCJMRIFHYTBRI-FRRDWIJNSA-N 390.484 0.930 50 40 GCGB COc1cccc(NCC(=O)NNC(=O)Cc2c(C)nc3nc(N)nn3c2C)c1 12534267 YIVDREYLTYJENQ-UHFFFAOYSA-N 398.427 0.134 50 40 GCGB COc1cc(/C=N/NC(=O)C(N)=O)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C 6047137 ASDYGZRQCVCYAX-KVTIEPLESA-N 390.440 0.799 50 40 GCGB Nc1nonc1/N=N/N(CC(=O)N/N=C/c1ccccc1F)c1nonc1N 16449034 RFESGDNTHFQEAN-WKSDWFHKSA-N 389.311 0.412 50 40 GCGB COc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2cccc(C)c2)cc1 32939986 FOBYGKCVISHMBA-UHFFFAOYSA-N 399.403 0.738 50 40 GCGB CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc21 100260498 HZWJBNWOUPZEHG-OQKWZONESA-N 380.360 0.642 50 40 GCGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 9281571 DMLYUPPXVIRORR-KRWDZBQOSA-N 382.288 0.365 50 40 GCGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1ccc2c(c1)OCO2 1952873 NYLTWNJASUTXOV-CDPSESLZSA-N 383.360 0.822 50 40 GCGB CCOC(=O)NNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1 21770434 FSDOCXWJNPTONE-GFCCVEGCSA-N 375.472 0.864 50 40 GCGB N#CC(C#N)=C1c2cc(S(N)(=O)=O)ccc2-c2ccc(S(N)(=O)=O)cc21 2353247 PILCGZCFXRDLSJ-UHFFFAOYSA-N 386.414 0.811 50 40 GCGB O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1 8411983 HJUCULFDKCTDPU-UHFFFAOYSA-N 381.344 0.287 50 40 GCGB COCCNC(=O)C(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 1787955 GZHQFOVLNFJJEQ-QMMMGPOBSA-N 378.212 0.671 50 40 GCGB COc1ccccc1N1C[C@@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 25042736 COAIOIWIWDRMQI-KBPBESRZSA-N 395.481 0.540 50 40 GCGB COc1cccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccncc3)C2=O)c1 4856362 PZWCUANTVFHDEB-GXDHUFHOSA-N 381.348 0.492 50 40 GCGB COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1n[nH]c2c1CCCC2 12547671 MMAIZGKVEDUSIL-UHFFFAOYSA-N 394.409 0.619 50 40 GCGB NCC(=O)O[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CO)NC(=O)C(Cl)Cl 85482505 SYZNAJOJFQHEPT-MWLCHTKSSA-N 380.184 0.419 50 40 GCGB C[C@@H]1C[C@](O)([C@@H](C)Cl)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 85950786 CKPJPJSVQMEGBC-HRKZPBNPSA-N 387.860 0.605 50 40 GCGB CN1C(=O)/C(=C/NNC(=O)c2ccncc2)C(=O)N(c2ccccc2)C1=S 34236359 UQQIHXSFDHNKIZ-KAMYIIQDSA-N 381.417 0.990 50 40 GCGB O=C(CCC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O 1956053 QFKKKJBROSRVFG-LQGKIZFRSA-N 386.364 0.890 50 40 GCGB N#Cc1ccc(OCC(=O)NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9372907 KIRPFGIYCQQXGY-UHFFFAOYSA-N 376.350 0.855 50 40 GCGB CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 3437903 UAGSOTOEJJPKBE-GWCFXTLKSA-N 388.428 0.260 50 40 GCGB CCOc1ccc(/C=N/NC(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1OC 13543980 CALWUFDIPPGOMX-FRKPEAEDSA-N 379.398 0.108 50 40 GCGB CC1(C)O[C@@H]2O[C@@H](C(=O)NNC(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 4539700 BGMTWABTHDGCHS-LYUDMSCLSA-N 392.408 0.844 50 40 GCGB COc1cc(/C=N/NC(N)=O)cc(I)c1OCC(=O)O 4575886 MOWWVSTZRGBPRJ-LNKIKWGQSA-N 393.137 0.765 50 40 GCGB COc1ccc(OCC(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 12976270 NYXNZDKEBZOUBD-CXAGYDPISA-N 379.438 0.675 50 40 GCGB COCC1=C(C(=O)OC)[C@@]2(C(=O)N(C(C)=O)c3ccccc32)C(C#N)=C(N)O1 4452141 COSYNIBJGPQQQW-IBGZPJMESA-N 383.360 0.615 50 40 GCGB C[C@@H](C(=O)NNC(=O)c1ccncc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 9126566 WGENCHVYPZZMSF-VIFPVBQESA-N 383.320 0.436 50 40 GCGB CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C)[nH]c(=O)[nH]c1=O 16039274 UAJGKFWZRWQGKH-SXGUVYOMSA-N 399.473 0.468 50 40 GCGB C/C(=N\NC(=O)c1c(CN2CCCC2)nnn1-c1nonc1N)c1cccnc1 33407383 ZUBRPIVUQXZWOE-RGVLZGJSSA-N 396.415 0.377 50 40 GCGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1 58873835 HOQXGLAHFOKQRF-PPAWOMOGSA-N 390.440 0.335 50 40 GCGB COc1ccc(OCC(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 12976268 NYXNZDKEBZOUBD-SUMWQHHRSA-N 379.438 0.675 50 40 GCGB CC(C)c1c(C(=O)N/N=C/c2ccc3c(c2)OCO3)nnn1-c1nonc1N 2356232 VDWUDELOQGIBNY-NGYBGAFCSA-N 384.356 0.849 50 40 GCGB O=C(CCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)c1ccccc1O 12763223 PSTFWRDQVWVOHB-UHFFFAOYSA-N 381.385 0.661 50 40 GCGB CN(C)N(C(=O)CCCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 12804311 GNWHLVBOIDCZQO-ZDUSSCGKSA-N 393.465 0.555 50 40 GCGB COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=O)CNc1ccccc1 12527658 BOIHLZTWKBAASC-UHFFFAOYSA-N 378.410 0.216 50 40 GCGB Cn1cc(Br)cc1C(=O)NNC(=O)c1cnc2sccn2c1=O 58380974 MWYKWMFLSVUVQY-UHFFFAOYSA-N 396.226 0.932 50 40 GCGB CC[C@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C\c1c(O)ccc2ccccc12 4464138 ZSCLFRHRIVZMOD-ATDWHHCWSA-N 382.380 0.658 50 40 GCGB CN(C)Cc1c(C(=O)N/N=C/c2ccccc2Cl)nnn1-c1nonc1N 2376113 AJXLPXCAISMLKG-CNHKJKLMSA-N 389.807 0.711 50 40 GCGB Cc1cc(C(=O)NNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c(C)o1 40143522 YFKSLFBHTDHRRS-UHFFFAOYSA-N 382.376 0.929 50 40 GCGB C=CCNC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408867642 JJDJWXQQAUXBJM-UUYOSTAYSA-N 397.391 0.287 50 40 GCGB C/C(=N\NC(=O)Cn1c(-c2nonc2N)nc2ccccc21)c1nonc1C 6177685 VKMZSBIZLURWHB-UFWORHAWSA-N 381.356 0.900 50 40 GCGB COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC(C)C)cc1 58873073 PRQQRIMDLHREFN-MTJSOVHGSA-N 392.456 0.583 50 40 GCGB O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O 29748520 CRKYKLQWHFYTOY-FWTZRWJPSA-N 381.020 0.849 50 40 GCGB COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1 58873532 LTPRWAUVIKZPRL-RGVLZGJSSA-N 378.429 0.193 50 40 GCGB C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)C(=O)N1CCOCC1 100523025 UQNWOVBQPDXCRY-DEDYPNTBSA-N 375.429 0.432 50 40 GCGB COc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1[N+](=O)[O-] 32118808 WSWLHSVDRXVZHS-UHFFFAOYSA-N 375.366 0.948 50 40 GCGB CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O 169993369 GXJABQQUPOEUTA-WBVHZDCISA-N 384.245 0.361 50 40 GCGB in-vitro CC(=O)OC[C@H]1O[C@@H](N=C=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4202728 WOWNQYXIQWQJRJ-NIFZNCRKSA-N 389.382 0.172 50 40 GCGB Cn1ncc2c(=O)n(CC(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)cnc21 12484020 BQPKNADTDVNSBV-UHFFFAOYSA-N 398.467 0.884 50 40 GCGB O=C1Cc2cc(S(=O)(=O)NNC(=O)c3cncn3-c3ccccc3)ccc2N1 12506633 ALQNDDHEQDEEBG-UHFFFAOYSA-N 397.416 0.990 50 40 GCGB COCCn1nc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)ccc1=O 49574640 MOKNALXHLQBCHR-UHFFFAOYSA-N 395.375 0.888 50 40 GCGB COCCNC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2c(C)cccn2c1=O 2203176 ISRNXYZKDXSLSH-NTCAYCPXSA-N 397.435 0.509 50 40 GCGB Cn1cccc1/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccn1C)C=2C#N 1084881 WRNFBIXERJMISB-NDCSFFLDSA-N 388.456 0.538 50 40 GCGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OCC)c1 6953850 FYTVDCPCOTYXML-CIAFOILYSA-N 390.440 0.673 50 40 GCGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2O)cc1OC 6583081 IGROFRSYNOJRLS-VCHYOVAHSA-N 393.421 0.838 50 40 GCGB COc1nc(N)nc(N2CCCC2)c1/C=N/NC(=O)[C@H]1COc2ccccc2O1 40050005 IZQDXDAEVDRWFP-SBUZPKSBSA-N 398.423 0.958 50 40 GCGB CCCCOc1ccc(/C=N/NC(=O)C(=O)NCCN2CCOCC2)cc1 20507355 AZANOMJYAQEYQW-RCCKNPSSSA-N 376.457 0.764 50 40 GCGB C=CCN1C(=O)[C@H](CN2CCOCC2)S/C1=N/NC(=O)c1ccncc1 100981881 GQATUZZRIQWFAR-SHUBJWRZSA-N 375.454 0.545 50 40 GCGB O=C(N/N=C\c1ccccc1C(=O)O)C(=O)N/N=C\c1ccccc1C(=O)O 31636953 ZHQPUTANDXHQJG-QJUDHZBZSA-N 382.332 0.683 50 40 GCGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1n[nH]c(=O)[nH]c1=O 948199 NWQRNKRWJVLMGD-AWQFTUOYSA-N 382.380 0.572 50 40 GCGB O=C(CN1CCN(C(=O)NNC(=O)c2ccccc2)CC1)NCc1ccccc1 36392870 OFURJYCGCVAMDD-UHFFFAOYSA-N 395.463 0.975 50 40 GCGB O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccncc1 408686248 REHOGZFWPDMRRD-JKCCIXDMSA-N 380.198 0.414 50 40 GCGB O=C(C[C@H]1CCS(=O)(=O)C1)NNS(=O)(=O)c1ccc(F)cc1Cl 12871041 TUFZQQWCIZNFOR-MRVPVSSYSA-N 384.838 0.613 50 40 GCGB COc1ccc(OC)c(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)c1 20211189 XJSBPFYFGHKEIB-UHFFFAOYSA-N 398.485 0.668 50 40 GCGB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cccs1 102384499 GMUPSAQYFRELAE-PHIMTYICSA-N 393.421 0.228 50 40 GCGB CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)CCC(=O)N2CCOCC2)cc1 199417903 ORLAZLLMSLLIPO-UHFFFAOYSA-N 397.497 0.933 50 40 GCGB CCCc1c(C(=O)N/N=C/c2ccc(O)c(OC)c2)nnn1-c1nonc1N 2444939 HPEPOFRYHMFART-QGMBQPNBSA-N 386.372 0.663 50 40 GCGB CO[C@H]1O[C@H](CBr)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5712043 JEEGQLMJZGMZSR-MLGHIDQZSA-N 383.191 0.548 50 40 GCGB N#Cc1ccccc1OCC(=O)NNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 9254460 PMVHXLZZQDRPIH-UHFFFAOYSA-N 397.347 0.423 50 40 GCGB O=C(N/N=C\c1ccc2c(c1)OCO2)C(=O)N/N=C\c1ccc2c(c1)OCO2 31637600 RQETWKWXXXICOJ-DWVBSFERSA-N 382.332 0.744 50 40 GCGB C/C(N)=C(\C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc(F)c(F)c1F 104472036 MKNGKRSXNSIHCF-FPLPWBNLSA-N 391.327 0.251 50 40 GCGB O=C(NNC1=NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(c2ccccc2)C1 1461791 UYJZGNTWBBVMPJ-LBPRGKRZSA-N 384.417 0.809 50 40 GCGB COc1ccc(CC(=O)NNC(=O)COCC(=O)Nc2ccc(C#N)cc2)cc1 4698605 BSRBTTXBAAIYJO-UHFFFAOYSA-N 396.403 0.912 50 40 GCGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(-n2cncn2)cc1 16495732 OAMCRDXBSWTLQP-UHFFFAOYSA-N 375.348 0.579 50 40 GCGB CS(=O)(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1 32916926 MBYOXDNXJDEQQV-ZDUSSCGKSA-N 378.410 0.527 50 40 GCGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)NNC(=O)c1ccc(Cl)cc1 408656396 MCBOMCQSOHQJKA-ONAWRNRTSA-N 392.795 0.842 50 40 GCGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccnc1 2520753 LGRSTJFNYCVKRH-DJKKODMXSA-N 384.404 0.233 50 40 GCGB Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3ccc(O)cc3)ccc21 41091398 KSICCMDNAHFNIZ-UHFFFAOYSA-N 376.394 0.206 50 40 GCGB CC1=CC(=O)N2N[C@@H](C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CS[C@H]2N1 33433993 AOEFOAPBMUGSOQ-MRACTREQSA-N 376.398 0.284 50 40 GCGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2c(C)cccn2c1=O 2200494 XAUMIBULRBKYEI-DTQAZKPQSA-N 392.463 0.964 50 40 GCGB CS(=O)(=O)SCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 38599462 CQPWMXNDGWWWHG-JBLDHEPKSA-N 381.545 0.521 50 40 GCGB in-vitro Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cc1n[nH]c(=O)[nH]c1=O 941212 CVTJXRBJYIROQS-QGMBQPNBSA-N 387.787 0.299 50 40 GCGB O=C1C[C@H](C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c2ccc(F)cc2N1 14118349 FPIYSFOLGDJMPC-ZDUSSCGKSA-N 395.350 0.949 50 40 GCGB Cc1ccccc1OCC(=O)NCC(=O)N/N=C1\C(=O)N(C)c2ccccc21 6208342 MMMLMJCCYSJAGS-NMWGTECJSA-N 380.404 0.987 50 40 GCGB Cc1noc(C)c1CC(=O)NNC(=O)Cc1csc(N2CCOCC2)n1 9951146 RCKNDNFGMOVBPH-UHFFFAOYSA-N 379.442 0.517 50 40 GCGB O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)[C@@H]1CCCO1 32257801 LGMKRQODBNLCND-ZBUUCQELSA-N 378.473 0.971 50 40 GCGB O=C(CCl)OCCOCCN(C(=O)CCl)[C@H]1CCS(=O)(=O)C1 217380928 IFSIOHMGLGZNFG-JTQLQIEISA-N 376.258 0.040 50 40 GCGB COCc1cc(C)n(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c(=O)c1C#N 8333230 AHQCPAGUCSLCNL-PTGBLXJZSA-N 393.403 0.672 50 40 GCGB O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NNC(=O)c1ccccn1 4682608 HXLNZAPOZNISPR-UHFFFAOYSA-N 381.436 0.972 50 40 GCGB COc1ccc(/C(=N\NC(N)=O)[C@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 5808841 AOEOXWMQNTWQRN-TYSUYXETSA-N 385.336 0.816 50 40 GCGB O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)c1ccccc1O 17576395 KRJMEDYXGBYVGZ-UHFFFAOYSA-N 399.375 0.800 50 40 GCGB COC(=O)CN1C(=O)/C(=N/NC(=O)Cn2nnc3ccccc32)c2ccccc21 7778512 HUQMZEZISAVJJW-RELWKKBWSA-N 392.375 0.471 50 40 GCGB CCN(CC)Cc1c(C(=O)N/N=C(\C)c2ccncc2)nnn1-c1nonc1N 8442777 QCZRIKQRGTVBLC-RGVLZGJSSA-N 398.431 0.623 50 40 GCGB CCOc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 409086960 SEYVHRKGFQDKDZ-AWEZNQCLSA-N 383.408 0.743 50 40 GCGB Cc1ccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1 6199421 DHZXPFAURSMQKX-NMWGTECJSA-N 380.404 0.987 50 40 GCGB CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc21 13476725 HZWJBNWOUPZEHG-XLNRJJMWSA-N 380.360 0.642 50 40 GCGB Cc1occc1C(=O)NNC(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 40068970 HUIMFWPTAUHLOC-UHFFFAOYSA-N 399.451 0.876 50 40 GCGB O=C(N/N=C/c1ccc(OS(=O)(=O)N2CCOCC2)cc1)c1ccccn1 255187797 GUWYCOBOBBLSQQ-CPNJWEJPSA-N 390.421 0.801 50 40 GCGB CC(C)NC(=O)C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408867330 KLCKTSOGDAXTJJ-NHDPSOOVSA-N 399.407 0.509 50 40 GCGB CCOc1cc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)ccc1OC 409086931 XKVDKCRAFQJJAB-AWEZNQCLSA-N 383.408 0.743 50 40 GCGB N#CC1=C(N)n2c(s/c(=C/c3cccnc3)c2=O)=C(C#N)[C@H]1c1cccnc1 13282864 MLPJCGWOZLDHGC-BNSMALCHSA-N 384.424 0.651 50 40 GCGB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl 575426323 QZGUPZNILRZZTG-WDEREUQCSA-N 396.874 0.336 50 40 GCGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccnc2)cc1OC 6583087 IJMUETUNZALQJP-VCHYOVAHSA-N 378.410 0.527 50 40 GCGB Cn1c(=O)c2c(nc(Br)n2CCCBr)n(C)c1=O 2083323 ZEPZVTPSJITTNJ-UHFFFAOYSA-N 380.040 0.981 50 40 GCGB COC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2c(C)cccn2c1=O 2216717 CEFYVYHGWVKXFZ-GXDHUFHOSA-N 395.419 0.785 50 40 GCGB COc1ccc(S(=O)(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 7379972 SUOXCGUQRHUUPG-UHFFFAOYSA-N 388.405 0.565 50 40 GCGB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)NN)c(OC)c1 6263536 QBMBDASVHHHKDQ-CQSZACIVSA-N 380.426 0.030 50 40 GCGB CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OC)c1 6953828 XCZRHXUKVWCYQD-RGVLZGJSSA-N 376.413 0.283 50 40 GCGB O=C(CN1C(=O)COc2ccccc21)NNS(=O)(=O)c1cccc(F)c1 7404322 FTJSVPXNMZQIJM-UHFFFAOYSA-N 379.369 0.561 50 40 GCGB COc1ccc(CC(=O)NNC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 102997072 IIKHSKYESANIDB-KCXAZCMYSA-N 385.420 0.725 50 40 GCGB Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2c[nH]c3ccccc23)n(C)c1=O 949984 GBPLWEPNEAATTC-ODCIPOBUSA-N 379.380 0.065 50 40 GCGB Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl 2542056 DFAUHEQAPGDMRQ-FZSIALSZSA-N 391.735 0.866 50 40 GCGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2ccc(/C=N/O)nc2)c2ccccc21 6843655 YRWKCVQOCADMAA-LIGQUWCQSA-N 395.375 0.934 50 40 GCGB CCOc1cc(/C=N/NC(=O)Cn2[nH]nnc2=N)c(Br)cc1O 408978885 ODUFSQNAXWRXNW-PJQLUOCWSA-N 384.194 0.103 50 40 GCGB COC(=O)CN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 5700466 KJGRXTNRSLKRDK-XMMQZVGTSA-N 395.371 0.867 50 40 GCGB O=C(NNc1ncnc(NNC(=O)c2ccncc2)c1[N+](=O)[O-])c1ccncc1 9086828 KBLATCQCKWNAAJ-UHFFFAOYSA-N 395.339 0.689 50 40 GCGB COC(=O)c1cc(C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc([N+](=O)[O-])c1 24763303 YWCCBGNOONWQNG-LBPRGKRZSA-N 385.398 0.487 50 40 GCGB COc1ccc(S(=O)(=O)NNC(=O)Cc2csc(C)n2)cc1[N+](=O)[O-] 9466513 ITHLZJGVZKIDIF-UHFFFAOYSA-N 386.411 0.921 50 40 GCGB CN(C)c1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3nc[nH]n3)s2)cc1 408732267 SYMJOQGFTMTFNV-QGMBQPNBSA-N 399.440 0.667 50 40 GCGB COc1ccc(C(=O)NNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1 14056012 IAGNNBYNODGWLU-UHFFFAOYSA-N 382.376 0.822 50 40 GCGB O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1n1cnnc1 101052566 RHEXKHUSPUMDAD-JQVLLDJOSA-N 390.035 0.692 50 40 GCGB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/NNC(=O)c1ccccc1O 4837025 WPFODSCKJJLNGU-PKNBQFBNSA-N 384.323 0.933 50 40 GCGB Cn1cccc1/C=c1/sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccn1C)C=2C#N 1084883 WRNFBIXERJMISB-JDZKTDJGSA-N 388.456 0.538 50 40 GCGB O[C@@H]1[C@H](Oc2ccccc2F)O[C@@H](CI)[C@@H](O)[C@H]1O 4042341 DOVMHDGVJXZRFX-MTVMDMGHSA-N 384.141 0.447 50 40 GCGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 5314992 VIZIXPNOZXVXQX-HNRFISLBSA-N 392.433 0.791 50 40 GCGB CCOC(=O)COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1OC 59246705 RAPVKQZHRDINSL-ODLFYWEKSA-N 379.413 0.419 50 40 GCGB CN1CCC(=NNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1 409028373 MLNNOXKUVSSACT-UHFFFAOYSA-N 383.430 0.559 50 40 GCGB Cc1cc(C)n(CC(=O)NNC(=O)Cn2c(S)nnc2-c2cccs2)n1 12666809 AQPJECIYMWQHOI-UHFFFAOYSA-N 391.482 0.956 50 40 GCGB O=C(COC(=O)Cn1cnc2ccccc2c1=O)NNC(=O)c1cccs1 6544378 IOMFAKOSOVMVON-UHFFFAOYSA-N 386.389 0.462 50 40 GCGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccncc2)cc1OC 6545131 ZYXMKQGRCOPKHP-YBFXNURJSA-N 392.437 0.870 50 40 GCGB CC(=O)OC[C@H]1O[C@@H](N=C=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 33496188 WOWNQYXIQWQJRJ-GZBLMMOJSA-N 389.382 0.172 50 40 GCGB CC1(C)NC(=O)N(CC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)C1=O 6654543 TWJPGAAWUGVFNQ-UHFFFAOYSA-N 383.364 0.702 50 40 GCGB COC(=O)CC1=C(C(=O)OC)[C@]2(C(=O)Nc3ccc(F)cc32)C(C#N)=C(N)O1 4476282 CPVINONWEGHHJB-GOSISDBHSA-N 387.323 0.730 50 40 GCGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccco2)C1 28277990 BPDDSVJRRGJOJJ-LRDDRELGSA-N 385.376 0.616 50 40 GCGB O=C(CNC(=O)C1=C[C@H]2OCCO[C@H]2C=C1)N/N=C/c1ccc2c(c1)OCO2 13893486 KSPOAWJTNCHEEY-KMLYMRFJSA-N 385.376 0.262 50 40 GCGB Nc1nnnn1CC(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1764219 NZXYUWOMCLJVDJ-DJKKODMXSA-N 396.367 0.893 50 40 GCGB COCCCNC(=O)C(=O)N/N=C/c1cc2c(cc1Br)OCO2 2076822 JYIWGKXYMGLRPX-REZTVBANSA-N 386.202 0.781 50 40 GCGB CCCCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)n[nH]c1=O 12855861 FMXRBPYYNIAISK-UHFFFAOYSA-N 379.442 0.933 50 40 GCGB O=C(CN1C(=O)CCOc2ccccc21)NNC(=O)[C@H]1COc2ccccc2O1 39982773 RTYPBEAFRQFVOT-QGZVFWFLSA-N 397.387 0.790 50 40 GCGB Cc1cc(C)n(CC(=O)NNC(=O)COc2ccc(N3CCCC3=O)cc2)n1 15758387 AQOVPDBXXHATFX-UHFFFAOYSA-N 385.424 0.853 50 40 GCGB O=C(N/N=C\c1ccc2c(c1)OCO2)C(=O)N/N=C/c1ccc2c(c1)OCO2 30731528 RQETWKWXXXICOJ-NORIJPHCSA-N 382.332 0.744 50 40 GCGB COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1 8103425 WTVRCEARWLSVBT-FYJGNVAPSA-N 390.440 0.291 50 40 GCGB CCn1nc(C(=O)NNC(=O)CN2CCCCCC2=O)c2ccccc2c1=O 14013765 JXUJIZWCXVPDSB-UHFFFAOYSA-N 385.424 0.580 50 40 GCGB Cn1c(=O)c2c(ncn2CC(=O)/C(C#N)=C2/Nc3ccccc3S2)n(C)c1=O 100825874 GUFYZDCCIWPILV-YBEGLDIGSA-N 394.416 0.956 50 40 GCGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 409162770 HOBUMDIJTQMCKN-WSDLNYQXSA-N 386.374 0.994 50 40 GCGB CN1C(=O)C(=CNNC(=O)c2ccc(Br)cc2)C(=O)N(C)C1=O 6082811 DJIOFWBHZUIMSR-UHFFFAOYSA-N 381.186 0.618 50 40 GCGB O=C1[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1n1cnnc1 195528755 RHEXKHUSPUMDAD-NTXXKDEISA-N 390.035 0.692 50 40 GCGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CC[C@H]1NC(=O)NC1=O 15469383 JOUUKYKHCABNCE-LLVKDONJSA-N 387.421 0.868 50 40 GCGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 5314985 VIZIXPNOZXVXQX-AAWPKVBNSA-N 392.433 0.791 50 40 GCGB O=C(COc1c(F)c(F)cc(F)c1F)NNC(=O)C[C@H]1CCS(=O)(=O)C1 8391032 OXRHGAOYNNXYMF-SSDOTTSWSA-N 398.334 0.594 50 40 GCGB COc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(=O)N=C2O)c1 17179768 PZWCUANTVFHDEB-UVTDQMKNSA-N 381.348 0.696 50 40 GCGB Cn1cccc/c1=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 24777926 FXXQLQRIVJFLQA-FBMGVBCBSA-N 376.438 0.292 50 40 GCGB Cn1c(=O)n2n(c1=O)[C@@H]1C=C[C@@H]2[C@H]2[C@H](Br)[C@H](Br)[C@@H]21 104282085 OCZZABDVLFESSM-MVEQLIQHSA-N 377.036 0.787 50 40 GCGB O=C(C[C@@H]1C(=O)NCCN1C(=O)CBr)OCCc1ccccc1 35605012 BXDCLQYTQKBVSX-CYBMUJFWSA-N 383.242 0.884 50 40 GCGB C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58873406 AJCZBWXYBKRIQF-CNPYVQQSSA-N 388.424 0.113 50 40 GCGB CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1 6647928 HGYCIVLDMHZUMW-FYJGNVAPSA-N 390.440 0.291 50 40 GCGB O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1 408672013 YPDNLNRSXKLQRJ-WRFANHODSA-N 399.403 0.022 50 40 GCGB NNC(=O)C1=NO[C@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@@H]12 8733542 FCBDESYNIKADEI-KGLIPLIRSA-N 391.384 0.299 50 40 GCGB COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4521088 GWTNLHGTLIBHHZ-ROHXPCBUSA-N 397.174 0.074 50 40 GCGB Cc1cccc(OCC(=O)NNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c1 5178123 MPLYMZSXKLRWGU-UHFFFAOYSA-N 382.376 0.225 50 40 GCGB COCCCNC(=O)C(=O)N/N=C/c1cc(Br)c(O)c(OC)c1 8103349 VAIRBFHUCYMBRL-CAOOACKPSA-N 388.218 0.766 50 40 GCGB C[C@@H](NC(=O)Cn1c([P@](=O)(O)c2ccccc2)nc2ccccc21)C(=O)O 98046993 NMKRUJUNVCGABL-GFCCVEGCSA-N 387.332 0.847 50 40 GCGB O=C(COC(=O)CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccccc1 8412098 ACUVDQYFVPGIIG-UHFFFAOYSA-N 395.371 0.677 50 40 GCGB CCCn1nc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)ccc1=O 9457047 CPQUCNCZSQRSFD-UHFFFAOYSA-N 392.441 0.021 50 40 GCGB COc1ccc(CC(=O)NNC(=O)[C@@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 33028204 IIKHSKYESANIDB-WQVCFCJDSA-N 385.420 0.725 50 40 GCGB CCOC(=O)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccncc3)C2=O)cc1 100980251 IDJNFMSJDMCQLJ-OAHLLOKOSA-N 382.376 0.825 50 40 GCGB O=C(COc1nsnc1N1CCOCC1)N/N=C/c1ccccc1[N+](=O)[O-] 16740565 YEWLBQFMDOFTHR-CXUHLZMHSA-N 392.397 0.812 50 40 GCGB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\NC(=S)NNC(C)=O 104304273 OZVJREWBNOESSH-XFXZXTDPSA-N 375.410 0.351 50 40 GCGB O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccc2c(c1)OCCO2 12803917 LRYKSOICUKVRID-UHFFFAOYSA-N 390.421 0.826 50 40 GCGB O=C(O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 13278765 CUGOSNGWKVATQM-UHFFFAOYSA-N 378.362 0.779 50 40 GCGB CN(C)Cc1c(C(=O)N/N=C/c2cc(F)ccc2F)nnn1-c1nonc1N 3640469 CQVAYOHOEWESOZ-KPSZGOFPSA-N 391.342 0.336 50 40 GCGB C[C@](Cl)(Br)[C@@H](Br)Cn1c(=O)[nH]c(=O)[nH]c1=O 2296360 BYJCJXXTLCCIAM-CLTAVNFZSA-N 377.420 0.338 50 40 GCGB O=C(CCNC1=NS(=O)(=O)c2ccccc21)NNC(=O)c1cccs1 9882842 SBRJUULXSWFJGP-UHFFFAOYSA-N 378.435 0.638 50 40 GCGB CCOC(=O)COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1OCC 59246892 AARUZIUSBQMCCZ-NDENLUEZSA-N 393.440 0.810 50 40 GCGB Cc1[nH]c(N2CCOCC2)nc(=O)c1CCC(=O)NNC(=O)c1ccoc1C 8749457 UHEBEGSEPRVXPC-UHFFFAOYSA-N 389.412 0.210 50 40 GCGB C/C(N)=C(\C#N)C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1 104800960 HMOIEEPJXOLTTK-VBKFSLOCSA-N 387.417 0.987 50 40 GCGB COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1C 4517089 AWPCFKYTMODGON-LJQANCHMSA-N 383.360 0.473 50 40 GCGB COc1ccc(C(=O)NCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1 7678230 OAGIWGLEAVPIOF-UHFFFAOYSA-N 385.376 0.429 50 40 GCGB Cc1nnc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)s1 138518619 WSYXOQIAZIJZLC-UHFFFAOYSA-N 391.409 0.570 50 40 GCGB O=C(CN1CCOCC1)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 409006711 KHIGJZLPTVMARM-PDGQHHTCSA-N 377.401 0.214 50 40 GCGB C#CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCCOC)=C1C 4517144 SBYCLTQJAVJAAS-OAQYLSRUSA-N 393.399 0.950 50 40 GCGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 12652007 ZOOYOXXCWRNMIR-HNRFISLBSA-N 391.449 0.506 50 40 GCGB CC1=C(C#N)C(=O)NC(=O)/C1=C\NNC(=O)c1cc(Br)ccc1O 16694055 QZJIBTXUSOYXFT-WDZFZDKYSA-N 391.181 0.769 50 40 GCGB O=C(NNS(=O)(=O)c1cccc(F)c1)c1csc(N2CCOCC2)n1 7384513 ZYPJWUUDTNRYKW-UHFFFAOYSA-N 386.430 0.742 50 40 GCGB CO[C@H]1O[C@H](CBr)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5664607 JEEGQLMJZGMZSR-VEGXAWMVSA-N 383.191 0.548 50 40 GCGB O=C(CN1C(=O)COc2ccccc21)NNS(=O)(=O)c1cc(F)ccc1F 8108978 NHNWENWZTRTTKA-UHFFFAOYSA-N 397.359 0.700 50 40 GCGB CN(NC(=O)c1cccc[n+]1[O-])C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 95939662 JPIXAIWXWFHVKJ-UHFFFAOYSA-N 379.417 0.569 50 40 GCGB CCS(=O)(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2C)C1 18192217 KYECUNXSFZFAEW-ZDUSSCGKSA-N 389.499 0.366 50 40 GCGB CCCc1c(C(=O)N/N=C/c2ccc3c(c2)OCO3)nnn1-c1nonc1N 2446210 DALYCHUPFPFRLW-CNHKJKLMSA-N 384.356 0.678 50 40 GCGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1 58873964 AWFRTGXLCDHXKV-FSJBWODESA-N 397.435 0.752 50 40 GCGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C\c1ccc(C(=O)O)cc1 31870533 HLNODIYSHAJOAF-JRLSWLOKSA-N 383.360 0.791 50 40 GCGB O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccncc1 12502229 GZNFSSBCRBXTQT-UHFFFAOYSA-N 390.337 0.847 50 40 GCGB O=C(Cn1cc(C(F)(F)F)ccc1=O)NNC(=O)[C@H]1COc2ccccc2O1 25163399 MEWDAZFIMAUIBC-CYBMUJFWSA-N 397.309 0.855 50 40 GCGB C=CCN1C(=O)[C@@H](CN2CCOCC2)S/C1=N/NC(=O)c1ccncc1 100981885 GQATUZZRIQWFAR-SYLQMPFCSA-N 375.454 0.545 50 40 GCGB COC(=O)c1ccc(COc2ccc(/C=N/NC(=O)C(N)=O)cc2OC)cc1 3282743 FFFHEHRCVAOFHM-UFFVCSGVSA-N 385.376 0.996 50 40 GCGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1 4523567 KABAKQNAKCXJHT-LSHDLFTRSA-N 388.811 0.971 50 40 GCGB C[C@@H]1CC[C@]23CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]12C(C=O)=CC3(C)C 253389252 CPNJZUTZDMXCTF-PAAXGQLSSA-N 396.480 0.533 50 40 GCGB biogenic,in-vitro O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1ccccc1 5203963 YRBMEWJXUOJZCX-AWEZNQCLSA-N 385.376 0.633 50 40 GCGB Cn1c(CC(=O)NNC(=O)CNC(=O)COc2ccccc2)nc2ccccc21 9219572 MXISEOICJRKNBF-UHFFFAOYSA-N 395.419 0.458 50 40 GCGB O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)c1n[nH]c(=O)c2ccccc12 15941604 KIBSQVUUTCFCFJ-UHFFFAOYSA-N 383.320 0.671 50 40 GCGB CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 575421341 JDMNBSJUGCXWOR-QWHCGFSZSA-N 380.875 0.005 50 40 GCGB O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 8746627 OYRIMJGNFJMQRB-UHFFFAOYSA-N 396.407 0.702 50 40 GCGB Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2[C@H]2[C@H](Br)[C@H](Br)[C@@H]21 104282090 OCZZABDVLFESSM-RKOJMGJASA-N 377.036 0.787 50 40 GCGB N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 9281570 DMLYUPPXVIRORR-QGZVFWFLSA-N 382.288 0.365 50 40 GCGB CN1CCN(CC(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 20840225 SFBGYHBKYRSUIM-UHFFFAOYSA-N 382.464 0.317 50 40 GCGB O=C1[C@H](Br)[C@H](N2CCN(CCO)CC2)C=NN1c1ccccc1 19899310 VVGHAPIZSJMFGO-HUUCEWRRSA-N 381.274 0.761 50 40 GCGB CN1C(=O)/C(=N\NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 4825309 KNFKPOAUVKHAKE-CYMZXICGSA-N 394.387 0.440 50 40 GCGB O=C(/C=C/c1ccco1)NCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 9331011 UVPHHUZWKVMZBO-GQCTYLIASA-N 383.320 0.790 50 40 GCGB Cc1ccc(C(=O)NNC(=O)Cn2nnn(-c3ccccc3Cl)c2=O)cc1 31790753 PQLGSLOBXOUJPM-UHFFFAOYSA-N 386.799 0.852 50 40 GCGB Cn1c(=O)oc2c(C(=O)NNC(=O)[C@H]3C(=O)Nc4ccccc4C3=O)cccc21 1625004116 SWUKVGXSGWJOBY-CYBMUJFWSA-N 394.343 0.344 50 40 GCGB C[C@H](C(=O)O)N1C(=O)[C@H]2[C@H]3O[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102240186 JEQFXAMKNCQDHN-DYUJGCGTSA-N 397.019 0.369 50 40 GCGB CC1=C(C(=O)OC(C)C)[C@]2(C(=O)N(CC(N)=O)c3ccccc32)C(C#N)=C(N)O1 2497116 QBTJWHHHDNPIGC-HXUWFJFHSA-N 396.403 0.706 50 40 GCGB CCCOc1ccc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc1 6880827 RDKQWPRFRRWRQX-RCCKNPSSSA-N 376.457 0.764 50 40 GCGB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/NNC(=O)c1ccccc1O 9333781 IEZXLCALFMZFLW-GXDHUFHOSA-N 380.360 0.789 50 40 GCGB C=C1C(=O)O[C@@H]2/C=C(/C=O)[C@@H]3O[C@@H]3[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12 104229817 DQEWTAGBSOHJQY-QYRGZVSHSA-N 390.388 0.389 50 40 GCGB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NC(=S)NNC=O)C2=O)c(C)c1 408533445 SHJQQXIQJIKFOP-IZZDOVSWSA-N 375.410 0.204 50 40 GCGB COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21 989161 PITBQQDSFFTZJZ-IBGZPJMESA-N 383.360 0.615 50 40 GCGB COc1ccc(OC)c(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)c1 8207618 CUOZNTVJZKHLID-UHFFFAOYSA-N 379.438 0.885 50 40 GCGB C[C@H](C(=O)NNC(=O)c1ccncc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 9126567 WGENCHVYPZZMSF-SECBINFHSA-N 383.320 0.436 50 40 GCGB C/C(NNC(=O)c1cc(C(F)(F)F)n(C)n1)=C1/C(=O)NC(=O)SC1=O 101540478 MXGXNWFNJMBEKO-QPJJXVBHSA-N 377.304 0.457 50 40 GCGB COc1ccccc1OCC(=O)NNC(=O)Cc1nc2nc(C)cc(C)n2n1 5483936 RXAJIGRDUJTNTI-UHFFFAOYSA-N 384.396 0.519 50 40 GCGB O=C(NNC(=O)C1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 2655803 FDLMXPGAGSZMFP-UHFFFAOYSA-N 381.454 0.659 50 40 GCGB O=C(CNC(=O)c1ccccc1F)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 5035018 RWWJFXZRBPKTOO-UHFFFAOYSA-N 385.311 0.936 50 40 GCGB Cc1cc(C)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)c(C)c1 2397317 NMXHSPYCIYEGRH-DNTJNYDQSA-N 397.443 0.983 50 40 GCGB COc1cc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)ccc1OCC(N)=O 1081724 KOVPAZQXDGOXCU-DNTJNYDQSA-N 397.395 0.378 50 40 GCGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(CC(N)=O)c1ccccc12 2231151 YDWHRKATPTXNSH-FQEVSTJZSA-N 394.387 0.484 50 40 GCGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccncc2)cc1 2284036 VLXWIZNAKVVTNT-YBFXNURJSA-N 389.437 0.811 50 40 GCGB CCOC(=O)Cc1n[nH]c2c1[C@@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 5248754 RALVVJVZAAKSIX-IBGZPJMESA-N 379.376 0.864 50 40 GCGB O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)cc1)NNC(=O)c1ccccc1 8410864 LRDJRUHPRYABMA-UHFFFAOYSA-N 395.371 0.958 50 40 GCGB CC(=O)OC[C@@H]1O[C@H](N=C=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 256009350 WOWNQYXIQWQJRJ-ZQNQSHIBSA-N 389.382 0.172 50 40 GCGB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C)[nH]c(=O)[nH]c1=O 13511142 KUUVFDURTPLUQW-MWSRNYLFSA-N 381.433 0.761 50 40 GCGB COC(=O)CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccccc2)c2ccccc21 100282898 JCMBQHKKKZSVDH-PTGBLXJZSA-N 394.387 0.457 50 40 GCGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1 58873779 QUKMDNGZFVBTDA-UFFVCSGVSA-N 386.408 0.950 50 40 GCGB CCOC(=O)C1CCN(C(=O)CCC(=O)NNC(=O)Cc2ccccc2)CC1 4696088 VIGBWILTXVZKSX-UHFFFAOYSA-N 389.452 0.958 50 40 GCGB CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(I)c1O 6958919 QDKCOOFAVKAGQO-GIDUJCDVSA-N 391.165 0.592 50 40 GCGB COc1ccc(OCC(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 12976266 NYXNZDKEBZOUBD-GUYCJALGSA-N 379.438 0.675 50 40 GCGB Cc1nc(CSCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)no1 32936126 XYURKZGWOFSODI-UHFFFAOYSA-N 398.470 0.366 50 40 GCGB O=C(CN1CCCCC1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 408720139 TYCZQXAVTJHNFX-KGENOOAVSA-N 388.468 0.860 50 40 GCGB CCOC(=O)N1CCN(C(=O)C(=O)N/N=C/c2ccc(OC)cc2OC)CC1 4550629 HTQDKXBRQIOVFQ-XDHOZWIPSA-N 392.412 0.455 50 40 GCGB COCCNS(=O)(=O)c1cc(C(=O)NNC(=O)CC(C)C)ccc1OC 21972473 AHBGQYLWZNLIMM-UHFFFAOYSA-N 387.458 0.427 50 40 GCGB CC(=O)OC[C@@H]1O[C@@H](N=C=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4202729 WOWNQYXIQWQJRJ-AIEDFZFUSA-N 389.382 0.172 50 40 GCGB O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 13690795 KKOHNNVPYFEGKD-UHFFFAOYSA-N 397.347 0.449 50 40 GCGB Cc1ccc(CNC(=O)NCC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1 14161034 KPOUNJIMGYHFCV-UHFFFAOYSA-N 395.419 0.892 50 40 GCGB CCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1 44844769 XVHLTEVBFOQGRR-UHFFFAOYSA-N 392.437 0.805 50 40 GCGB CS(=O)(=O)SCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 6794358 CQPWMXNDGWWWHG-JFGNBEQYSA-N 381.545 0.521 50 40 GCGB in-vitro COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)ccc1OCC(N)=O 4544256 VLLVKZAVYALIRS-AUEPDCJTSA-N 398.419 0.748 50 40 GCGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409388940 YIKNYOWXFHXQAD-CTYUOQFJSA-N 387.392 0.840 50 40 GCGB O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)[C@@H]1COc2ccccc2O1 12898610 SSEHQGNUWSGVKI-HNNXBMFYSA-N 380.364 0.328 50 40 GCGB NNC(=O)[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 16031426 WWNJPUOJTJBCCG-IXDOHACOSA-N 395.463 0.578 50 40 GCGB biogenic CCCc1c(C(=O)N/N=C/c2ccc(NC(C)=O)cc2)nnn1-c1nonc1N 9498540 ZEYRLOACGXKZCM-DJKKODMXSA-N 397.399 0.907 50 40 GCGB Cc1noc(C)c1S(=O)(=O)NNC(=O)c1c[nH]c2c(F)cccc2c1=O 71280531 SCYHWAMWHRTRSU-UHFFFAOYSA-N 380.357 0.895 50 40 GCGB Cn1c(=O)c2ncn(CC(=O)N/N=C/c3c[nH]c4ccccc34)c2n(C)c1=O 5198936 RNWOVXNMMRGDRD-ODCIPOBUSA-N 379.380 0.065 50 40 GCGB COC(=O)c1cc(C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc([N+](=O)[O-])c1 24763297 YWCCBGNOONWQNG-GFCCVEGCSA-N 385.398 0.487 50 40 GCGB CCOc1cc(/C=N/NC(=O)CSc2nncn2C)ccc1OCC(N)=O 2335592 JKLPMJSDYFVEDJ-CNHKJKLMSA-N 392.441 0.320 50 40 GCGB COC(=O)[C@@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 4521089 GWTNLHGTLIBHHZ-HGCLJGPKSA-N 397.174 0.074 50 40 GCGB COc1cc(C(=O)NNC(=O)CNC(=O)c2cccs2)cc(OC)c1OC 7785313 QFDCIXHMTDLWNB-UHFFFAOYSA-N 393.421 0.965 50 40 GCGB CC(=O)N1CCC2(CC1)[C@H]1CN(C(C)=O)CC=C1C(C#N)=C(N)C2(C#N)C#N 20309719 GGAODQVBXHNLDY-KRWDZBQOSA-N 378.436 0.803 50 40 GCGB C[C@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1cccc(Br)c1 942886 UDUQQMVVNZXOOE-CKLBDGOISA-N 381.190 0.171 50 40 GCGB Cc1nc2c(cc1C(=O)N/N=C1/C(=O)Nc3ccccc31)c(=O)n(C)c(=O)n2C 6073406 OIFKJSBGSRCEFX-UHFFFAOYSA-N 392.375 0.027 50 40 GCGB biogenic O=C(O)CCc1ccc(S(=O)(=O)NNC(=O)c2n[nH]c3c2CCCC3)cc1 12550625 VJLYEPLACCZEPB-UHFFFAOYSA-N 392.437 0.929 50 40 GCGB CN(C)N(C(=O)Cc1ccc(N2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 12793474 LQEZNOQAAVQQFI-INIZCTEOSA-N 379.482 0.848 50 40 GCGB Cc1ccccc1OCC(=O)NNC(=O)CN1C(=O)NC2(CCCCC2)C1=O 8718574 ITPNRTLGHAGYTJ-UHFFFAOYSA-N 388.424 0.776 50 40 GCGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(Cc2ccco2)C1 28277993 BPDDSVJRRGJOJJ-MLGOLLRUSA-N 385.376 0.616 50 40 GCGB O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1n1cnnc1 195528753 RHEXKHUSPUMDAD-XEFZRCJWSA-N 390.035 0.692 50 40 GCGB O=C(CCNC(=O)c1ccccc1)NNC(=O)c1ccc(-n2cnnn2)cc1 7653835 JVAHDFMNXQYYQW-UHFFFAOYSA-N 379.380 0.243 50 40 GCGB O=C(CSc1nc2ccccc2s1)NNC=C1C(=O)NC(=O)NC1=O 13139168 FIVRMVJIZJMIOG-UHFFFAOYSA-N 377.407 0.259 50 40 GCGB CC(=O)OCc1c(B(O)O)ccnc1N1CCn2c(cc3ccccc32)C1=O 1857793443 KOXOJWUGCVZPJJ-UHFFFAOYSA-N 379.181 0.440 50 40 GCGB COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccco2)c2ccccc21 5793925 PVLGLFPTUCRQLR-PGMHBOJBSA-N 384.348 0.050 50 40 GCGB O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)NNC(=O)C(Cl)Cl 106338861 NVLFZRRHWHFCGR-UHFFFAOYSA-N 395.055 0.774 50 40 GCGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408973675 OEYWYJODZAQDQK-SYZQJQIISA-N 393.272 0.772 50 40 GCGB COCCNC(=O)C(=O)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 1787957 GZHQFOVLNFJJEQ-MRVPVSSYSA-N 378.212 0.671 50 40 GCGB COc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccccc2O)cc1 17576616 ZLCFKDJXFPQWKO-UHFFFAOYSA-N 393.421 0.530 50 40 GCGB CCOC(=O)NNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 21771159 CSDCLWJBGGMKBX-TXEJJXNPSA-N 385.442 0.875 50 40 GCGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1 27071838 CPTXGVXRJRVPFX-UHFFFAOYSA-N 394.497 0.911 50 40 GCGB CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1 6953945 LCBLUTSIKQYEGG-YDZHTSKRSA-N 382.420 0.968 50 40 GCGB CCc1sc(C(=O)NNC(=O)c2cc(S(=O)(=O)NC)cn2C)cc1C 29708811 XRDUCSXRKCSIGI-UHFFFAOYSA-N 384.483 0.940 50 40 GCGB Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1 6928588 XBUAIDAOEXNZRX-UHFFFAOYSA-N 378.454 0.820 50 40 GCGB CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)N1CCCC1 6960728 RTCQWZUAIOCILL-RGVLZGJSSA-N 376.413 0.283 50 40 GCGB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)NN)c(OC)c1 6463339 ONZUCLKEMJVZBY-OAHLLOKOSA-N 378.385 0.255 50 40 GCGB COc1ccccc1C(=O)NCCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 12950574 OUNLDFCWRJJEIZ-QGZVFWFLSA-N 399.403 0.803 50 40 GCGB Cc1nc2c(cc1C(=O)NN=Cc1ccc([N+](=O)[O-])cc1)c(=O)n(C)c(=O)n2C 13137088 SBIYCHORJOJXNT-UHFFFAOYSA-N 396.363 0.613 50 40 GCGB O=C(CNC(=O)C1=C[C@@H]2OCCO[C@@H]2C=C1)N/N=C/c1ccc2c(c1)OCO2 13893477 KSPOAWJTNCHEEY-YBVRXRFYSA-N 385.376 0.262 50 40 GCGB CCOc1cc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)ccc1OC 409086934 XKVDKCRAFQJJAB-CQSZACIVSA-N 383.408 0.743 50 40 GCGB Cn1nc(C(=O)NNC(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc2c1=O 12944605 CKEQPOBVFOSBOJ-UHFFFAOYSA-N 389.371 0.850 50 40 GCGB C#CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCCOC)=C1C 4517143 SBYCLTQJAVJAAS-NRFANRHFSA-N 393.399 0.950 50 40 GCGB COc1cc(C(=O)NNS(=O)(=O)c2c(C)n[nH]c2C)cc(OC)c1OC 8726587 RNRMYFVDABWGTF-UHFFFAOYSA-N 384.414 0.676 50 40 GCGB CCn1c(NNC(=O)C2CCN(S(C)(=O)=O)CC2)nc2ccccc2c1=O 14367759 JRSCFMIHJKEPBG-UHFFFAOYSA-N 393.469 0.531 50 40 GCGB COc1ccccc1C(=O)NCC(=O)NNC(=O)[C@H]1COc2ccccc2O1 12950776 OYMPSMACQPPBBG-MRXNPFEDSA-N 385.376 0.412 50 40 GCGB COCc1c(C(=O)N/N=C(\C)c2cccc(OC)c2)nnn1-c1nonc1N 9059341 BIZYZKGSSNVWDE-GIJQJNRQSA-N 386.372 0.542 50 40 GCGB COCCNC(=O)CC(=O)N/N=C/c1cc2c(cc1Br)OCO2 3089062 PRHXCEPOQTWIMP-REZTVBANSA-N 386.202 0.781 50 40 GCGB Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)C(=O)NC1CC1 7726252 PAOIHIDGIUXBJD-UHFFFAOYSA-N 376.232 0.346 50 40 GCGB Cc1cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)no1 408684564 NUAVOZYRLXVDMB-ZNOWBECESA-N 399.197 1.036 50 40 GCGB O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 839073 CCFCIJQQBZUXNQ-UHFFFAOYSA-N 389.433 0.782 50 40 GCGB COc1ccccc1N1C[C@H](C(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 25042743 COAIOIWIWDRMQI-KGLIPLIRSA-N 395.481 0.540 50 40 GCGB CN(C)S(=O)(=O)NNC(=O)c1cc(O)c(OCc2ccccc2)c(O)c1 2216370 VZCADNGIPWREKX-UHFFFAOYSA-N 381.410 0.718 50 40 GCGB CCOC(=O)c1ccc(N2C(=O)C[C@H](NNC(=O)c3ccncc3)C2=O)cc1 2225621 IDJNFMSJDMCQLJ-HNNXBMFYSA-N 382.376 0.825 50 40 GCGB O=C(CCCCC(=O)NNC(=O)c1ccncc1)NNC(=O)c1ccncc1 102621187 HUHCWGNNRBUZCL-UHFFFAOYSA-N 384.396 0.259 50 40 GCGB O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1n1cnnc1)[C@@H](Br)[C@@H]3Br 195528752 RHEXKHUSPUMDAD-JZHWRPJLSA-N 390.035 0.692 50 40 GCGB Cc1occc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 3416238 GVUHINDVMPWSLV-UHFFFAOYSA-N 393.421 0.684 50 40 GCGB OB(O)c1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1 2362804248 BSNZNWMNMFUZAL-UHFFFAOYSA-N 380.328 0.744 50 40 GCGB CCOc1ccccc1OCC(=O)NNC(=O)c1cnc2ccccn2c1=O 12779223 NHTTYDXIJANANY-UHFFFAOYSA-N 382.376 0.933 50 40 GCGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc3c(c2)OCO3)s1 408729171 BAPMLKLUXCHSAI-FRKPEAEDSA-N 377.382 1.528 50 40 GCGB C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3O[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 102240181 JEQFXAMKNCQDHN-LOQMKZRZSA-N 397.019 0.369 50 40 GCGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409388946 YIKNYOWXFHXQAD-QEPJRFBGSA-N 387.392 0.840 50 40 GCGB NC(=O)NNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 25397441 TXKSWHWERIORQS-UHFFFAOYSA-N 393.878 0.231 50 40 GCGB CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 4517132 QCWWAEVNVSYMCG-LJQANCHMSA-N 382.376 0.175 50 40 GCGB CCCCn1nc(C(=O)NNC(=O)c2ccc[nH]c2=O)c2ccccc2c1=O 12794276 FOEIRDYQMBRQMQ-UHFFFAOYSA-N 381.392 0.960 50 40 GCGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1 4504301 OMYOPSANIZCSPS-HIFRSBDPSA-N 393.359 0.897 50 40 GCGB CCCc1c(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])nnn1-c1nonc1N 1883951 OJYNMLRRRYJWQK-CAOOACKPSA-N 385.344 0.857 50 40 GCGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(OCC(N)=O)c2)[C@H]2COCC=C12 2193847 IHOGMGCCONQDMY-FUHWJXTLSA-N 375.388 0.991 50 40 GCGB Cc1cc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)no1 408684557 NUAVOZYRLXVDMB-AJCKKNKHSA-N 399.197 1.036 50 40 GCGB CC(C)Cn1c2c(c(=O)[nH]c1=O)[C@](NC(=O)CCl)(C(F)(F)F)C(=O)N2 1851585 OJLIMRJBECOJSM-GFCCVEGCSA-N 382.726 0.257 50 40 GCGB CS(=O)(=O)SCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 6794357 CQPWMXNDGWWWHG-SCVCMEIPSA-N 381.545 0.521 50 40 GCGB in-vitro CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1 409272754 SFVHORQPUCBNQK-PVGUKEHMSA-N 390.440 0.289 50 40 GCGB C[C@H](Br)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 4277095 CWVWFKZVQRMWRJ-YFKPBYRVSA-N 380.040 0.980 50 40 GCGB C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)Cc1ccccc1 12753435 ALFBYNILCRORGS-GFCCVEGCSA-N 379.413 0.883 50 40 GCGB CN(C)N(C(=O)CCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 12804305 GNWHLVBOIDCZQO-CYBMUJFWSA-N 393.465 0.555 50 40 GCGB COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 5915102 HRXYGSCSFIGBJQ-LPYMAVHISA-N 398.419 0.917 50 40 GCGB COCCn1nc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)ccc1=O 21924830 SYPLULUQMSPDCY-AWEZNQCLSA-N 388.424 0.735 50 40 GCGB COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1 25060440 NEIYSQLUJCHBSU-UHFFFAOYSA-N 392.389 0.868 50 40 GCGB COc1ccccc1NCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12 12543642 XEVAUGYGPJEVGD-UHFFFAOYSA-N 381.392 0.815 50 40 GCGB NNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 225501788 PPPSOSWBQILRNB-UHFFFAOYSA-N 378.429 0.940 50 40 GCGB CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N1CC(N)=O)C(C#N)=C(N)Oc1ccccc12 4517134 YXFWYCKIQVRGHX-FQEVSTJZSA-N 396.403 0.564 50 40 GCGB O=C(NNC(=O)c1cc(Cn2cnc([N+](=O)[O-])n2)on1)c1ccc(Cl)cc1 66089351 FGJOJDYOYNSQFF-UHFFFAOYSA-N 391.731 0.951 50 40 GCGB Cc1nc2c(cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c(=O)n(C)c(=O)n2C 1649534 SBIYCHORJOJXNT-DJKKODMXSA-N 396.363 0.613 50 40 GCGB N#CC1=C(N)n2c(s/c(=C/c3ccncc3)c2=O)=C(C#N)[C@@H]1c1ccncc1 17729313 SWOLGLRRWYBWSV-JDZKTDJGSA-N 384.424 0.651 50 40 GCGB NC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1 409376858 DMLQYDYGPRFUTG-CAOOACKPSA-N 385.218 0.689 50 40 GCGB COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)ccc1O 2193282 RYVZZOODWPCDAV-CNHKJKLMSA-N 386.372 0.834 50 40 GCGB COc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1OC 20211389 QFMKLYJRBLHIAJ-UHFFFAOYSA-N 398.485 0.668 50 40 GCGB O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cc(Br)ccc1O 943665 MFEBOESOXQDKKO-GIDUJCDVSA-N 382.174 0.009 50 40 GCGB CCN(CC)Cc1c(C(=O)N/N=C/c2cccs2)nnn1-c1nonc1N 1835544 YGHQEONYUFHGJI-CAOOACKPSA-N 389.445 0.900 50 40 GCGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc(O)c2)cc1OC 6583069 DQOFCLBFRQYWRR-VCHYOVAHSA-N 393.421 0.838 50 40 GCGB O=C(NNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CC1 7726121 XIPLUJCKIAJINB-UHFFFAOYSA-N 385.751 0.947 50 40 GCGB CCOC(=O)CNC(=S)NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1889020546 BUHMQGMPQAPVEC-ZDUSSCGKSA-N 378.454 0.094 50 40 GCGB CC1=C(C(=O)OC(C)C)[C@@]2(C(=O)N(CC(N)=O)c3ccccc32)C(C#N)=C(N)O1 2219660 QBTJWHHHDNPIGC-FQEVSTJZSA-N 396.403 0.706 50 40 GCGB CCCc1c(C(=O)N/N=C/c2cccc(OC)c2O)nnn1-c1nonc1N 1866780 CJNLVCASUQYANI-QGMBQPNBSA-N 386.372 0.663 50 40 GCGB COC(=O)CC1=C(C(=O)OC)[C@@]2(C(=O)Nc3ccc(F)cc32)C(C#N)=C(N)O1 4476283 CPVINONWEGHHJB-SFHVURJKSA-N 387.323 0.730 50 40 GCGB O=C(Cc1nnc(NC(=O)c2cc(=O)[nH]c(O)n2)s1)N/N=C/c1ccccc1 33700400 AXOCYCIORHFFAW-CAOOACKPSA-N 399.392 0.272 50 40 GCGB COCCNC(=S)NNC(=O)c1ccc(I)c(O)c1 408588728 YFLKXNOIPYFGEV-UHFFFAOYSA-N 395.222 0.752 50 40 GCGB COc1cccc(/C=N/NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c1O 2278009 CMNLICIZQKESAI-BCUFPXHISA-N 385.376 0.807 50 40 GCGB Cc1cc(S(=O)(=O)NCCCl)c(S(=O)(=O)NCCCl)cc1N 255190325 WMDSYCWHSGPFEM-UHFFFAOYSA-N 390.314 0.611 50 40 GCGB CCOC(=O)N1CCN(C(=O)C(=O)N/N=C/c2ccc(O)c(OC)c2)CC1 4689539 BEDGTIQGJHAQLE-WOJGMQOQSA-N 378.385 0.152 50 40 GCGB CN(C)N(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)[C@H]1CCS(=O)(=O)C1 5298361 KQYNKHOKHVEAST-ZDUSSCGKSA-N 389.499 0.043 50 40 GCGB COCCNC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2ccccn2c1=O 5577167 GSXFSELCNIAXQU-FYWRMAATSA-N 396.451 0.116 50 40 GCGB CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OC)cc1 8091894 VZVZWCNRBDTNOM-SRZZPIQSSA-N 384.392 0.909 50 40 GCGB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)CN1CCCc2ccccc21 103048110 QNHHWLDCUIZJIE-HOTGVXAUSA-N 396.447 0.538 50 40 GCGB O=C(CCn1nc(-c2cccs2)oc1=O)NNC(=S)NC[C@H]1CCCO1 15707344 XOJWEIGTZKVAQB-SNVBAGLBSA-N 397.482 0.629 50 40 GCGB COc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 32115720 OOWXOXVESPCTJX-UHFFFAOYSA-N 392.437 0.839 50 40 GCGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 6065358 NUVZFIOPRGXZOT-MAUPQMMJSA-N 378.406 0.449 50 40 GCGB N#Cc1cc(C#N)c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nc1N 18240964 UOHSWYKRSCDQIL-UHFFFAOYSA-N 397.376 0.869 50 40 GCGB COc1ccc(/C(C[C@@]2(O)C(=O)Nc3ccccc32)=N/NC(=O)NN)cc1O 17176541 WEBKRLJBDXRZOI-ZFJBLLOBSA-N 385.380 0.508 50 40 GCGB COC(=O)CN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 5700472 KJGRXTNRSLKRDK-JIQGDJCJSA-N 395.371 0.867 50 40 GCGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1cccc([N+](=O)[O-])c1 409028624 QNKGDYIMBVCQAE-LICLKQGHSA-N 377.382 0.906 50 40 GCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1 409272753 SFVHORQPUCBNQK-MQMKENTISA-N 390.440 0.289 50 40 GCGB COCc1[nH]nc2c1[C@H](c1ccc(OCC(N)=O)c(OC)c1)C(C#N)=C(N)O2 4452935 AZTXSMQUUOZYCQ-OAHLLOKOSA-N 385.380 0.647 50 40 GCGB COC(=O)[C@@H]1O[C@@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 44167763 GWTNLHGTLIBHHZ-VSSNEEPJSA-N 397.174 0.074 50 40 GCGB in-vitro CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)NNC(=O)c1ccccc1 4539705 BGMTWABTHDGCHS-REVBEMBVSA-N 392.408 0.844 50 40 GCGB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)CN1CCCc2ccccc21 8780208 QNHHWLDCUIZJIE-IYBDPMFKSA-N 396.447 0.538 50 40 GCGB C=CCN1C(=O)c2ccc(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc2C1=O 25042828 RJUXANJWQNWLOI-ZDUSSCGKSA-N 391.449 0.575 50 40 GCGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)n(C)c1 29692409 RBKIYMVGCXTXPR-UHFFFAOYSA-N 396.425 0.025 50 40 GCGB CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NNC(=O)c2ccccc2)C1=O 6599281 SEXDMDJLFMPLKK-UHFFFAOYSA-N 390.396 0.101 50 40 GCGB NC(=O)[C@@H]1CC(C(=O)NNC(=O)c2ccccc2O)=NN1c1ccc(F)cc1 30571933 UCIIBBIHLVMIQP-AWEZNQCLSA-N 385.355 0.413 50 40 GCGB CN(C)Cc1c(C(=O)N/N=C/c2cccc(Cl)c2)nnn1-c1nonc1N 2272972 UDYWSQVXWBLFQO-CNHKJKLMSA-N 389.807 0.711 50 40 GCGB COc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1NC(C)=O 575426430 SVQQZEWUSIDUSA-CMPLNLGQSA-N 396.874 0.336 50 40 GCGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1 58873896 JUTSJLNVQMZBBZ-FOKLQQMPSA-N 397.435 0.752 50 40 GCGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)[C@H]1COc2ccccc2O1 12761730 DGNZKMGVRAVRMU-CQSZACIVSA-N 392.389 0.843 50 40 GCGB O=C(CI)NCCNC(=O)CI 4748387 RLFPCLMBTQOMLI-UHFFFAOYSA-N 395.966 0.089 50 40 GCGB in-vitro C[C@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)NNC(=O)c1ccccc1 20066932 ZPKVJIJNMDQPCG-LBPRGKRZSA-N 380.364 0.669 50 40 GCGB Cc1ccc(N2C[C@H](C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)cc1 24969285 AZRWKWDRCGIXGE-ZBFHGGJFSA-N 379.482 0.840 50 40 GCGB CC[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C\c1c(O)ccc2ccccc12 4464139 ZSCLFRHRIVZMOD-JFPGXGMNSA-N 382.380 0.658 50 40 GCGB CCOC(=O)C1=C(C)S/C(=C/C(C#N)=C(/N)N2CCN(CCO)CC2)C1=O 1249257 KOHVLMJRJIALHV-JTOAUJHISA-N 392.481 0.327 50 40 GCGB Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NNC(=O)c1ccccc1 8984280 DSXDTQQPHKXBNS-UHFFFAOYSA-N 385.424 0.309 50 40 GCGB CC(C)(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 9883837 DQFCXXWMJYMZEK-UHFFFAOYSA-N 383.470 0.905 50 40 GCGB O=C(Cc1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 17138866 VWYSXANUUCKQPE-UHFFFAOYSA-N 381.348 0.726 50 40 GCGB Cn1c(=O)n(C)c2cc(/C=N/NC(=O)Cn3nnc(-c4ccccc4)n3)ccc21 408721712 XJTPOFLSAODGTE-RGVLZGJSSA-N 390.407 0.681 50 40 GCGB O=C(Cc1csc(N2CCOCC2)n1)N/N=C/c1ccc(O)c(O)c1O 3233057 JCHNLKWQETXWGW-CAOOACKPSA-N 378.410 0.789 50 40 GCGB NC(=O)[C@H]1CC(C(=O)NNC(=O)Cc2ccccc2)=NN1c1ccc(F)cc1 32770830 RBFVHZQNTSOEIW-MRXNPFEDSA-N 383.383 0.636 50 40 GCGB CN(C)N(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 5298387 BBWHOGIMFFJZGT-ZDUSSCGKSA-N 389.499 0.043 50 40 GCGB COc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2F)cc1S(N)(=O)=O 58015280 MTRFDCJGDKAPSR-VQHVLOKHSA-N 393.396 0.956 50 40 GCGB C/C(=N/NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1ccc(Br)cc1 5012102 IFVFNKLPZJGKKV-IUXPMGMMSA-N 380.202 0.694 50 40 GCGB CCn1nc(C(=O)NNC(=O)CN(C)C(=O)c2ccco2)c2ccccc2c1=O 12741424 LEOKBONCVLVOMY-UHFFFAOYSA-N 397.391 0.543 50 40 GCGB O=C(NNC(=O)c1ccc[nH]c1=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 12945735 KWGDHTYMMUUZSL-UHFFFAOYSA-N 393.403 0.886 50 40 GCGB CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2)cc1 4079701 VLWNPQJCJOBSDK-UDWIEESQSA-N 388.449 0.817 50 40 GCGB O=C(CN1CCOCC1)N/N=C\c1cc(Br)c(O)c([N+](=O)[O-])c1 408989032 GOYJVZQBRDGKEX-CHHVJCJISA-N 387.190 0.845 50 40 GCGB C[C@]12CCC(=O)N1[C@H](C(=O)OCC(=O)NNC(=O)c1cccs1)CS2 6943677 SGWFRQIKGDTGKN-VFZGTOFNSA-N 383.451 0.506 50 40 GCGB COc1cc(/C=N/NC(=O)CCc2nnc(O)nc2O)cc(OC)c1OC 8683235 QKFHJRMZBXQCGO-CAOOACKPSA-N 377.357 0.392 50 40 GCGB Cc1ccc(Cl)cc1S(=O)(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1 31667652 ICEQAJNCIOSBOL-SNVBAGLBSA-N 380.875 0.783 50 40 GCGB CCOC(=O)C1=C(C)N(CC(=O)OC)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 4517059 SFEAMWLQFZHBPV-HXUWFJFHSA-N 397.387 0.863 50 40 GCGB Nc1ncnc(NNC(=O)CNC(=O)COc2ccc(Cl)cc2)c1[N+](=O)[O-] 9391682 OTKJPTQZUZMLIJ-UHFFFAOYSA-N 395.763 0.259 50 40 GCGB O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1nn(-c2ccccc2)cc1O 9516551 KGARSMHJLDPHGM-UHFFFAOYSA-N 390.359 0.889 50 40 GCGB O=C1[C@@H](Br)[C@@H](N2CCN(CCO)CC2)C=NN1c1ccccc1 19899313 VVGHAPIZSJMFGO-GJZGRUSLSA-N 381.274 0.761 50 40 GCGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(OCC(N)=O)c2)[C@@H]2COCC=C12 20000579 IHOGMGCCONQDMY-AEFFLSMTSA-N 375.388 0.991 50 40 GCGB COc1ccc(N2CCN(S(=O)(=O)c3cccc(C(=O)NN)c3)CC2)cc1 225501883 WHAYLPDMJGLJPX-UHFFFAOYSA-N 390.465 0.810 50 40 GCGB O=C(NNC(=O)c1cccc(Cl)c1)C1=CC=CN2CCS(=O)(=O)N=C12 7704708 LYFUPAHVJLHQLP-UHFFFAOYSA-N 380.813 0.599 50 40 GCGB O=C(Cc1nnc(NC(=O)c2cc(O)nc(O)n2)s1)N/N=C/c1ccco1 408730532 HLUZNPLQSBBKTA-GIDUJCDVSA-N 389.353 0.277 50 40 GCGB O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccccc1C(F)(F)F 409175984 WLLGXHCNRKXIKE-WSDLNYQXSA-N 386.374 0.994 50 40 GCGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)NNC(=O)c1ccc(Cl)cc1 408656395 MCBOMCQSOHQJKA-FJZRYDKGSA-N 392.795 0.842 50 40 GCGB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1cccc([N+](=O)[O-])c1 102403157 VCFIDCQXCYFAGG-ZIAGYGMSSA-N 388.380 0.921 50 40 GCGB COc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)cc1OC 4980114 QDNSRYIQFMANSE-UHFFFAOYSA-N 379.438 0.885 50 40 GCGB O=C(CN1C(=O)COc2ccccc21)NNS(=O)(=O)c1ccc(F)c(F)c1 7404326 GJCGBCAGAYYSMG-UHFFFAOYSA-N 397.359 0.700 50 40 GCGB COc1ccccc1C(=O)NCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12950771 OYMPSMACQPPBBG-INIZCTEOSA-N 385.376 0.412 50 40 GCGB Cn1cccc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@@H](c1cccn1C)C=2C#N 13739488 WRNFBIXERJMISB-VHEJECIDSA-N 388.456 0.538 50 40 GCGB Cc1cc2nc3c(=O)n(CSS(C)(=O)=O)c(=O)nc-3n(C)c2cc1C 77302235 NAWJRCAJQCDQBB-UHFFFAOYSA-N 380.451 0.862 50 40 GCGB in-vitro CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](C)Nc1n[nH]c(=O)[nH]c1=O 953432 JLNJHGDWOPZQAF-KKBVUKDESA-N 396.407 0.961 50 40 GCGB O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)[C@H]1COc2ccccc2O1 15795358 RMQVKMKGJSYCLA-OAHLLOKOSA-N 381.344 0.270 50 40 GCGB COc1ccc(C(=O)NNC(=O)CCC(=O)O)cc1I 2132045 OOCDEIQLNKLBFC-UHFFFAOYSA-N 392.149 0.926 50 40 GCGB COCCN1C(=O)/C(=C\NNC(=O)c2cc(Cl)ccc2O)C(=O)NC1=S 6550748 NHZOSAMEQCKTAP-YFHOEESVSA-N 398.828 0.054 50 40 GCGB CS(=O)(=O)N1CCN(c2ccc(N3C[C@H](C(=O)Cl)CC3=O)cc2)CC1 45958022 IALLLGFHKZFKRG-GFCCVEGCSA-N 385.873 0.887 50 40 GCGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 104863322 YIZKXFORFMGMPU-PBBNAPBQSA-N 385.376 0.679 50 40 GCGB CC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)s1 408732559 WUHLQHYYJDBIPH-PJQLUOCWSA-N 392.353 0.826 50 40 GCGB COCC(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 3365459 ZKWWPJHACPVWJQ-UHFFFAOYSA-N 393.421 0.903 50 40 GCGB COc1ccccc1N1C[C@H](C(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)CC1=O 25042731 COAIOIWIWDRMQI-ZIAGYGMSSA-N 395.481 0.540 50 40 GCGB NNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2092583 WWNJPUOJTJBCCG-IKGGRYGDSA-N 395.463 0.578 50 40 GCGB biogenic O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccccc1O 12918056 OBUVFSGULZJNGX-UHFFFAOYSA-N 382.170 0.939 50 40 GCGB O=C(CN1C(=O)COc2ccc(Cl)cc21)NNC(=O)c1cc([N+](=O)[O-])c[nH]1 22414738 HXGNNOYCLBBWBL-UHFFFAOYSA-N 393.743 0.763 50 40 GCGB NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 58882152 PWFJSHPXTMIEME-DJKKODMXSA-N 385.336 0.548 50 40 GCGB NNC(=O)C1=NO[C@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@H]12 8733718 FCBDESYNIKADEI-KBPBESRZSA-N 391.384 0.299 50 40 GCGB O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)Cn1ncc2ccccc2c1=O 44599354 FSRSAXQLVXVJDT-UHFFFAOYSA-N 397.347 0.531 50 40 GCGB CCO[Si](CCCOC(=O)[C@@H]1C[C@@H](O)CN1C(C)=O)(OCC)OCC 203951982 LCTLEQOXRWKQJK-CABCVRRESA-N 377.510 0.950 50 40 GCGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@@H](c3ccccc3)C(C(N)=O)=C2S1 3771934 BHKRQMLMCLWEFM-CYBMUJFWSA-N 382.401 0.807 50 40 GCGB O=C(COc1c(F)c(F)cc(F)c1F)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 8391030 OXRHGAOYNNXYMF-ZETCQYMHSA-N 398.334 0.594 50 40 GCGB COc1cc(C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc(OC)c1OC 4749944 IYQRZGCDUUDHDD-SNVBAGLBSA-N 386.426 0.298 50 40 GCGB COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 32991001 VXBLKMAXFRSTBD-CXAGYDPISA-N 379.438 0.919 50 40 GCGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CC(=O)N(Cc2ccco2)C1 28277996 BPDDSVJRRGJOJJ-BLLLJJGKSA-N 385.376 0.616 50 40 GCGB COc1ccc(OCC(=O)NNC(=O)Cn2c(=O)cnc3ccccc32)cc1 32971058 ADRQWEORUIFDQN-UHFFFAOYSA-N 382.376 0.632 50 40 GCGB COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)cc1OC 102783129 AMQCFVZDMBHUHE-NKFKGCMQSA-N 396.403 0.931 50 40 GCGB O=C(N/N=C/c1c(N2CCOCC2)nc2ccccn2c1=O)c1ccncc1 1301272 HWYXEPRVXVFQIN-FYJGNVAPSA-N 378.392 0.690 50 40 GCGB Cc1[nH]c(=O)[nH]c(=O)c1/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C 1890737 WKURSCMHKPDASJ-VXLYETTFSA-N 381.433 0.907 50 40 GCGB CNC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2c(C)cccn2c1=O 2390690 GYLKRRKEGOFDGT-GXDHUFHOSA-N 394.435 0.358 50 40 GCGB Nc1nonc1C(=O)N/N=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 9307804 JERZLRMIQVCOBG-REZTVBANSA-N 376.354 0.323 50 40 GCGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12761727 DGNZKMGVRAVRMU-AWEZNQCLSA-N 392.389 0.843 50 40 GCGB O=C(CSc1nc2ccccc2o1)NNC(=O)C[C@H]1SC(=O)NC1=O 2689027 BPKJUWMPPNAGEH-SECBINFHSA-N 380.407 0.809 50 40 GCGB O=C(OCCCl)n1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21 2190717 WPIJECGSVFBBSA-UHFFFAOYSA-N 390.801 0.839 50 40 GCGB CCCCC(=O)NN(C)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 4722151 IOLKACUXNFMMPW-UHFFFAOYSA-N 379.465 0.202 50 40 GCGB CN1C(=O)/C(=N\NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 4825335 KNFKPOAUVKHAKE-PDNPPFGYSA-N 394.387 0.440 50 40 GCGB COc1ccccc1/C=C\C=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 35129135 PXARSLUFRVKKSR-CVJAFTOQSA-N 396.407 0.258 50 40 GCGB C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nnn(-c2nonc2N)c1C 12372686 IRWYNTRFKKDXMF-CAOOACKPSA-N 385.344 0.532 50 40 GCGB O=C(CN1C(=O)c2ccccc2C1=O)NNC1=NS(=O)(=O)c2ccccc21 977601 IJPZQEGABRNUQT-UHFFFAOYSA-N 384.373 0.053 50 40 GCGB C=CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12 4517137 TVKQJWTYXVWAGP-HXUWFJFHSA-N 394.387 0.341 50 40 GCGB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)NNC(=O)c1ccncc1 32118671 AWMQPKPRRLXNKB-UHFFFAOYSA-N 375.366 0.704 50 40 GCGB Cc1nc(S(=O)(=O)NNC(=O)c2cnc3c(F)cccc3c2O)cn1C 71279849 YVQXQBHYBBJMMY-UHFFFAOYSA-N 379.373 0.745 50 40 GCGB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNC(=O)CN1CCCc2ccccc21 103338210 QNHHWLDCUIZJIE-HZPDHXFCSA-N 396.447 0.538 50 40 GCGB COCCN1C(=O)C[C@@H](NNC(=O)c2ccc(Br)s2)C1=O 3408260 JPJQXHRUUGCJSJ-SSDOTTSWSA-N 376.232 0.519 50 40 GCGB COC(=O)C[C@H]1SC2=C(C(N)=O)[C@H](c3cccs3)C(C#N)=C(N)N2C1=O 3764202 YFMFSXOAAFEFNX-KOLCDFICSA-N 390.446 0.743 50 40 GCGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)NNC(=O)c1ccc(Cl)cc1 7939656 MCBOMCQSOHQJKA-IUBWNAFWSA-N 392.795 0.842 50 40 GCGB NC(=O)[C@@H]1CC(C(=O)NNC(=O)Cc2ccccc2)=NN1c1ccc(F)cc1 32770828 RBFVHZQNTSOEIW-INIZCTEOSA-N 383.383 0.636 50 40 GCGB CN(CCC#N)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c(=O)n3C)cc1 3263447 ONFGGQIWIRBFRI-OAHLLOKOSA-N 392.419 0.652 50 40 GCGB Cc1cc(=O)oc2cc(OCC(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)ccc12 8884470 QINPSCUFSHVSML-CYBMUJFWSA-N 394.449 0.973 50 40 GCGB O=C(CN1CCOCC1)N/N=C/c1ccc(O)c(I)c1 19851788 MVWVPJVFVGGXPH-OVCLIPMQSA-N 389.193 0.779 50 40 GCGB Cc1ccc(Cl)cc1S(=O)(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 31667651 ICEQAJNCIOSBOL-JTQLQIEISA-N 380.875 0.783 50 40 GCGB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccncc1 32119187 DPHWPMXKNKIHEZ-UHFFFAOYSA-N 375.366 0.704 50 40 GCGB COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)ccc1OCC(N)=O 1066652 PRPWYROKZUAIQX-AWQFTUOYSA-N 382.380 0.454 50 40 GCGB CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 12652003 ZOOYOXXCWRNMIR-AAWPKVBNSA-N 391.449 0.506 50 40 GCGB CN1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)CC(C)(C)C)cc2)CC1 12746164 HVRBTKFPQXFMMR-UHFFFAOYSA-N 396.513 0.820 50 40 GCGB C[C@H](NC(=O)Cn1c([P@](=O)(O)c2ccccc2)nc2ccccc21)C(=O)O 98046992 NMKRUJUNVCGABL-LBPRGKRZSA-N 387.332 0.847 50 40 GCGB CC(=O)Nc1ccn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)c(=O)n1 169748270 WVZROKQICURVJD-NMFUWQPSSA-N 399.520 0.843 50 40 GCGB O=NN(CC(=O)N/N=C/c1ccccc1O)CC(=O)N/N=C/c1ccccc1O 8613219 NCHWFUJCPSDCAD-LQGKIZFRSA-N 398.379 0.682 50 40 GCGB O=C(NNC(=O)c1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1 9909053 UUBHNWARPRKOOU-UHFFFAOYSA-N 379.394 0.375 50 40 GCGB COc1ccc(OCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3553320 NASPTOCOVAPMGX-UHFFFAOYSA-N 382.376 0.782 50 40 GCGB Cc1cc(C(=O)NNC(=O)[C@@H]2CCS(=O)(=O)C2)c(C)n1Cc1ccco1 39995711 LTWJPMOOEWCYNF-CYBMUJFWSA-N 379.438 0.942 50 40 GCGB O=C(CCC(=O)NNC(=O)Cc1ccccc1)NNC(=O)Cc1ccccc1 97959890 OKTFZKOYZARATR-UHFFFAOYSA-N 382.420 0.547 50 40 GCGB C[C@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)NNC(=O)c1cccs1)CS2 6943686 SGWFRQIKGDTGKN-PSLIRLAXSA-N 383.451 0.506 50 40 GCGB O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C\c1ccc(OCc2ccccc2)cc1 36074008 IZAQSBMXKDUKEZ-JAIQZWGSSA-N 379.376 0.730 50 40 GCGB NC(=O)C1CCN(C(=O)CCC(=O)NNC(=O)Cn2ccc3ccccc32)CC1 199405611 WGCLIGWIHVLEHH-UHFFFAOYSA-N 399.451 0.293 50 40 GCGB C[C@H](OC(=O)C(C)(CO)CO)C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12 2060999830 WNDFBJPJGOZKCT-JTQLQIEISA-N 378.337 0.971 50 40 GCGB O=C(CN1C(=O)COc2ccccc21)NNS(=O)(=O)c1ccccc1F 7404334 FFRVKOXICYHYOI-UHFFFAOYSA-N 379.369 0.561 50 40 GCGB Cc1ccc2c(c1)CCCN2CC(=O)NNC(=O)C[C@@H]1CCS(=O)(=O)C1 12527179 AUGUNFIFQREVIN-AWEZNQCLSA-N 379.482 0.720 50 40 GCGB CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)ccc1OC 3095416 PPGHNXFVAHMYHP-QGMBQPNBSA-N 386.372 0.712 50 40 GCGB CN(C)Cc1c(C(=O)N/N=C/C=C/c2ccccc2)nnn1-c1nonc1N 3640420 XAOTXJKNWFQEID-AVSIYSEJSA-N 381.400 0.723 50 40 GCGB Cc1cc(=O)oc2cc(OCC(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)ccc12 8884473 QINPSCUFSHVSML-ZDUSSCGKSA-N 394.449 0.973 50 40 GCGB O=C(COc1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 17180637 SNGQAAHSRJVOON-UHFFFAOYSA-N 397.347 0.562 50 40 GCGB O=C(C[C@H]1C(=O)NCCN1C(=O)CBr)OCCOc1ccccc1 35604984 SNNYPHFXBHUDRO-ZDUSSCGKSA-N 399.241 0.721 50 40 GCGB COc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3O)C2=O)cc1 2237441 IIZUUBHZYYUVCI-GXDHUFHOSA-N 396.359 0.802 50 40 GCGB CC1(CC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)OCCO1 408832684 YNTOWNLEBCIPQG-DEDYPNTBSA-N 391.424 0.527 50 40 GCGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409388944 YIKNYOWXFHXQAD-NMLBAAHISA-N 387.392 0.840 50 40 GCGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@H](C)n2ccnc2)cc1 7738143 MGNDRRFMYMKXTG-AWEZNQCLSA-N 393.469 0.611 50 40 GCGB O=C(CN1CCCc2ccccc21)NNC(=O)Cn1c(=O)cnc2ccccc21 21900199 GVZRQGAZWJSTAD-UHFFFAOYSA-N 391.431 0.997 50 40 GCGB CCN(CC)Cc1c(C(=O)N/N=C/c2ccccn2)nnn1-c1nonc1N 2188291 YEJWUOJMSAHWJM-DJKKODMXSA-N 384.404 0.233 50 40 GCGB CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)CCO)cc1 16693906 QQHVSIGUFXDSOC-GDNBJRDFSA-N 375.406 0.587 50 40 GCGB CN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc3c(c2)OCCO3)c2ccccc21 101210878 HMMSWRMWSFBFDR-PTGBLXJZSA-N 394.387 0.685 50 40 GCGB NNC(=O)c1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(C(=O)NN)cc2)cc1 3214565 GBBWRMNFJQQBAW-ROUUACIJSA-N 388.380 0.050 50 40 GCGB NNC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)cc1 6161426 CXMJTEONERNFNF-UHFFFAOYSA-N 376.376 0.243 50 40 GCGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(CC(N)=O)c1ccccc12 2497114 XTBYLPMTSWNQLW-LJQANCHMSA-N 382.376 0.317 50 40 GCGB O=C(Cn1cnc2ccccc2c1=O)NNC(=O)[C@H]1COc2ccccc2O1 15795458 OVXZUHMNYNIHEO-MRXNPFEDSA-N 380.360 0.384 50 40 GCGB CS(=O)(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cc(-c2ccccc2)on1 32916923 MBYOXDNXJDEQQV-CYBMUJFWSA-N 378.410 0.527 50 40 GCGB COC(=O)[C@H]1O[C@@H](Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 98177454 GWTNLHGTLIBHHZ-WTPMCQDGSA-N 397.174 0.074 50 40 GCGB Nc1ncnc(NNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] 9391666 VMVAVAPSEWHLKA-UHFFFAOYSA-N 389.416 0.743 50 40 GCGB CC1=CC(=O)N2N[C@@H](C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CS[C@@H]2N1 33433989 AOEFOAPBMUGSOQ-XORBJAIISA-N 376.398 0.284 50 40 GCGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1 4504277 OMYOPSANIZCSPS-DZGCQCFKSA-N 393.359 0.897 50 40 GCGB O=C(O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O 169615992 CRKYKLQWHFYTOY-BBRRGZOISA-N 381.020 0.849 50 40 GCGB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccncc2)C1=O 2273934 BAUBKDXDHPGWKY-ACCUITESSA-N 395.375 0.882 50 40 GCGB COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 32990999 VXBLKMAXFRSTBD-SUMWQHHRSA-N 379.438 0.919 50 40 GCGB CCOC(=O)C1=C(C)N(CC(N)=O)C(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12 4517133 QCWWAEVNVSYMCG-IBGZPJMESA-N 382.376 0.175 50 40 GCGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CC(=O)N(CC(F)(F)F)C1 72276901 TWUXIOUMSYGZGW-JOYOIKCWSA-N 387.314 0.385 50 40 GCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2O)c1CN1CCCC1 8826715 WFRRJKIBJDFWAP-DJKKODMXSA-N 397.399 0.298 50 40 GCGB Cn1cccc1/C=c1\sc2n(c1=O)C(N)=C(C#N)[C@H](c1cccn1C)C=2C#N 13739487 WRNFBIXERJMISB-STKCSNAVSA-N 388.456 0.538 50 40 GCGB CC(C)c1c(C(=O)N/N=C2\C(=O)Nc3ccccc32)nnn1-c1nonc1N 2394368 YZFHDCPKMPSYII-UHFFFAOYSA-N 381.356 0.442 50 40 GCGB COc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2O)C1=O 4857097 HNKYNSUZWDPIHS-ZRDIBKRKSA-N 396.359 0.802 50 40 GCGB Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 408735694 VHPKGQWODGPKGB-AYSLTRBKSA-N 376.285 0.887 50 40 GCGB NNC(=O)c1c[nH]nc1S(=O)(=O)N1CCN(c2ccccc2Cl)CC1 72265072 FBHCKQAIMPSQGY-UHFFFAOYSA-N 384.849 0.178 50 40 GCGB CCOC(=O)NNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 12811067 NKPLSAFYFYQIBW-UHFFFAOYSA-N 385.442 0.417 50 40 GCGB COC(=O)CC1=C(C(=O)OC)[C@@]2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1 989155 KCCAWKKEIAPNEX-IBGZPJMESA-N 383.360 0.615 50 40 GCGB CC(=O)OC[C@@H]1O[C@@H](N=C=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 4202727 WOWNQYXIQWQJRJ-YYFQZIEXSA-N 389.382 0.172 50 40 GCGB Cc1cc(SCC(=O)NN)nc(CN(C)S(=O)(=O)c2ccc(F)cc2)n1 223459261 OJZLEIORTXJHFP-UHFFFAOYSA-N 399.473 0.827 50 40 GCGB COc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 408767895 AFAFZQCFGKJAIX-UHFFFAOYSA-N 395.437 0.898 50 40 GCGB Cc1c(NC(=S)NNC(=O)CCC(=O)O)c(=O)n(-c2ccccc2)n1C 5751880 CMNYRQVYYIYSID-UHFFFAOYSA-N 377.426 0.667 50 40 GCGB CCn1ncc(/C=N/NC(=O)c2ccn(Cn3cnc([N+](=O)[O-])n3)n2)c1F 252491708 LRGXMQOZVHCCQB-FZSIALSZSA-N 376.312 0.008 50 40 GCGB COc1cc(CN2CC[C@H](NC(=O)c3ccc(B(O)O)cc3)C2)cc(OC)c1 584957147 GFFISMUEFNHDCV-KRWDZBQOSA-N 384.241 0.388 50 40 GCGB C=CCc1cccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1O 1240769 HSMJFZSYHWMZGB-ZVBGSRNCSA-N 396.407 0.018 50 40 GCGB Nc1nonc1-n1nnc(CN2CCOCC2)c1C(=O)NN=C1CCCCC1 25760850 KTNNWEREVWDCET-UHFFFAOYSA-N 389.420 0.115 50 40 GCGB O=C(CNC(=O)c1ccccc1O)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 18010145 KQLHRXUEZGHHGA-UHFFFAOYSA-N 383.320 0.503 50 40 GCGB O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccccc1O 408531163 GILSBPJSMOIYND-DCBMZKMZSA-N 384.392 0.991 50 40 GCGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(S(=O)(=O)O)o1 8861615 DOWYZRDQXNNSHS-OVCLIPMQSA-N 376.354 0.330 50 40 GCGB CCOc1ccc(C(=O)NNC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)cc1OC 32870567 YSYUGRYBLKUNRL-UHFFFAOYSA-N 390.396 0.173 50 40 GCGB Cc1cc(C)n(CC(=O)NNC(=O)CCn2cnc3c(C)cccc3c2=O)n1 40017824 RKFJJPUIPQPJPL-UHFFFAOYSA-N 382.424 0.756 50 40 GCGB CS(=O)(=O)N1CCN(c2ccccc2N2C[C@H](C(=O)Cl)CC2=O)CC1 57327867 BDSZNLZPLXMNHS-GFCCVEGCSA-N 385.873 0.887 50 40 GCGB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@H]2C1=O 100879006 CRKYKLQWHFYTOY-YTIUSABTSA-N 381.020 0.849 50 40 GCGB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCC(=O)NNC(=O)c1cccs1)CS2 6943680 SGWFRQIKGDTGKN-RFAUZJTJSA-N 383.451 0.506 50 40 GCGB COc1ncccc1C(=O)N1CCN(S(=O)(=O)CBr)CC1 95992913 OYDAZWSQAOVFCN-UHFFFAOYSA-N 378.248 0.530 50 40 GCGB C[C@@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3cccc(B(O)O)c3)c2)C1=O 584987345 MHYCCVWHNYSNCA-FQEVSTJZSA-N 393.208 0.844 50 40 GCGB C[C@H]1C[C@](O)([C@@H](C)Cl)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 85950790 CKPJPJSVQMEGBC-SFLAXJJOSA-N 387.860 0.605 50 40 GCGB COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccn2)cc1OC 6583084 QASHPMRRVFIORM-VCHYOVAHSA-N 378.410 0.527 50 40 GCGB O=C(COC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1cccs1 102384505 GMUPSAQYFRELAE-GHMZBOCLSA-N 393.421 0.228 50 40 GCGB O=C(NNC(=O)c1ccc[nH]c1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 12979519 ZLHBWUIFDLAEHA-UHFFFAOYSA-N 390.421 0.234 50 40 GCGB CC(=O)OC[C@@H]1O[C@H](N=C=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 256009349 WOWNQYXIQWQJRJ-LXFSFDBISA-N 389.382 0.172 50 40 GCGB COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21 989162 PITBQQDSFFTZJZ-LJQANCHMSA-N 383.360 0.615 50 40 GCGB CS(=O)(=O)N1CCN(c2ccccc2N2C[C@@H](C(=O)Cl)CC2=O)CC1 57327870 BDSZNLZPLXMNHS-LBPRGKRZSA-N 385.873 0.887 50 40 GCGB O=C(NNc1ccc2nncn2n1)c1ccc(S(=O)(=O)N2CCCC2)cc1 937418 XPNAZHOJXIFJQZ-UHFFFAOYSA-N 387.425 0.666 50 40 GCGB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1ccccc1 102591599 QSTFRNBPYVWPRI-KBPBESRZSA-N 387.392 0.166 50 40 GCGB C[C@H](NC(=O)CI)C(=O)Nc1ccc(C(=O)O)c(O)c1 2036557 ZVZJSRWNPDLZIJ-LURJTMIESA-N 392.149 0.969 50 40 GCGB COc1cc(/C=N/NC(=O)C(N)=O)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 6047135 ASDYGZRQCVCYAX-XFKUTXNWSA-N 390.440 0.799 50 40 GCGB C=C1C(=O)O[C@@H]2/C=C(\C=O)[C@@H]3O[C@@H]3[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C\C)CO)[C@@H]12 104229831 DQEWTAGBSOHJQY-XCQRBIFPSA-N 390.388 0.389 50 40 GCGB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NNC(=O)[C@H]1COc2ccccc2O1 40143538 JMHJKAJZSRIOSD-GFCCVEGCSA-N 395.393 0.145 50 40 GCGB CCOC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 2636100 XBWDNOXYMHVJRU-UHFFFAOYSA-N 375.378 0.238 50 40 GCGB C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)[C@@H]1COc3ccccc3O1)CS2 24765832 LGYAINOXRJZLTD-SVKFGRERSA-N 377.422 0.428 50 40 GCGB COc1cc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC 409080913 OLGHJWIMQSIQKY-ZDUSSCGKSA-N 399.407 0.361 50 40 GCGB CC(C)n1nc(C(=O)NNS(=O)(=O)CCCC#N)c2ccccc2c1=O 40158025 GJOZJMNJABXVOC-UHFFFAOYSA-N 377.426 0.845 50 40 GCGB CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1 5269891 UGRKYBZTBIFIDE-NSHDSACASA-N 376.442 0.628 50 40 GCGB COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1 8104845 PNWLOFYIURKFFV-LPYMAVHISA-N 398.419 0.917 50 40 GCGB COc1ccc(OCC(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 12976267 NYXNZDKEBZOUBD-DYVFJYSZSA-N 379.438 0.675 50 40 GCGB O=C(CN1CCCC1)NN[C@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 35682661 DWZBBQWXHSXTQJ-HNNXBMFYSA-N 375.473 0.746 50 40 GCGB COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)N1CCCC1 6327587 BULOUPXYEOBLTB-RGVLZGJSSA-N 390.440 0.671 50 40 GCGB O=C1[C@H]2[C@@H](C(=O)N1n1cnnc1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br 3203947 RHEXKHUSPUMDAD-STRDHONQSA-N 390.035 0.692 50 40 GCGB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1 4504281 OMYOPSANIZCSPS-UKRRQHHQSA-N 393.359 0.897 50 40 GCGB CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409273221 WERDYRTWHHKIRK-PVGUKEHMSA-N 390.440 0.289 50 40 GCGB COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1 14231926 LTHRYGRFJBCBRK-UHFFFAOYSA-N 392.389 0.868 50 40 GCGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)n2ccnc2)c1 40143612 KOFAUGUMOQUACX-ZDUSSCGKSA-N 393.469 0.936 50 40 GCGB C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)COc1ccccc1-c1ccccc1 72273602 NZRZDAVIXYFUSS-ZDUSSCGKSA-N 391.449 0.818 50 40 GCGB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl 575426322 QZGUPZNILRZZTG-QWRGUYRKSA-N 396.874 0.336 50 40 GCGB Nc1ncnc(NNC(=O)CNC(=O)c2c(F)cccc2Cl)c1[N+](=O)[O-] 9391669 IOCVDPIUGAZFBI-UHFFFAOYSA-N 383.727 0.633 50 40 GCGB COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)NC[C@@H]1CCCO1 101510191 AVGPPOGMPPOKSM-XMOVILSBSA-N 376.413 0.811 50 40 GCGB O=C(COCCBr)OCCOC(=O)COCCBr 167468067 VEBGWAWDQCQSGS-UHFFFAOYSA-N 392.040 0.896 50 40 GCGB COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2nc[nH]n2)s1 408731462 MWNVBRLQLIZHNQ-REZTVBANSA-N 386.397 0.610 50 40 GCGB O=C1CCC/C(=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 103458032 ZOZKCSDOQBGPFK-JXAWBTAJSA-N 379.438 0.936 50 40 GCGB O=C1[C@H]2[C@H](C(=O)N1n1cnnc1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br 110545228 RHEXKHUSPUMDAD-MVEQLIQHSA-N 390.035 0.692 50 40 GCGB CC1(C)CC(=O)C2=C(C1)N(CC(N)=O)C(=O)[C@]21C(C#N)=C(N)Oc2ccccc21 4517127 ATWRFNHRGCQUKI-OAQYLSRUSA-N 392.415 0.981 50 40 GCGB Cc1sc2ncn(CCC(=O)NNc3nnc(C)c(=O)[nH]3)c(=O)c2c1C 14198964 PPSSZLXMTGCBFQ-UHFFFAOYSA-N 375.414 0.395 50 40 GCGB CC(C)(C)NC(=O)C(=O)NNC(=O)c1cccc(I)c1 3664697 GCEIUEQTTMKTKH-UHFFFAOYSA-N 389.193 0.967 50 40 GCGB CCc1ccc(O[C@@H]2O[C@H](CI)[C@@H](O)[C@H](O)[C@H]2O)cc1 4026061 PFDIEUBGGCGHPN-RKQHYHRCSA-N 394.205 0.870 50 40 GCGB biogenic Cc1nnn(-c2nonc2N)c1C(=O)NNC(=O)c1ccc(Cl)c(Cl)c1 3668325 ZQHADAHYQFTKRW-UHFFFAOYSA-N 397.182 0.923 50 40 GCGB O=C(NNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1ccncc1 4599729 FDWHVLSBTALVTN-AWEZNQCLSA-N 394.387 0.931 50 40 GCGB CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(OC)c2)c1 8091888 WERBNDWPDGVTLK-SRZZPIQSSA-N 384.392 0.909 50 40 GCGB CN(C)N(C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCS(=O)(=O)C1 12748297 YVZGXDOACHUAGM-NSHDSACASA-N 396.437 0.789 50 40 GCGB O=C(Cn1cnc2ccccc2c1=O)NNC(=O)[C@@H]1COc2ccccc2O1 15795457 OVXZUHMNYNIHEO-INIZCTEOSA-N 380.360 0.384 50 40 GCGB O=C(NNC(=S)NCCN1CCOCC1)c1ccc(N2CCCC2=O)cc1 25436123 KVVCFTRWZQFHRP-UHFFFAOYSA-N 391.497 0.255 50 40 GCGB CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2cccc(F)c2)c1 3325757 XKYUWUIBSOUCEV-UHFFFAOYSA-N 395.412 0.916 50 40 GCGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNc2nnc(C)c(=O)[nH]2)c1 22383376 VQDAQQNZKHGGGI-UHFFFAOYSA-N 380.430 0.261 50 40 GCGB Cc1cc(C(=O)NNC(=O)CC[C@@H]2NC(=O)NC2=O)c(C)n1-c1ccccc1 40161054 PFOIGJDQPJWITF-HNNXBMFYSA-N 383.408 0.843 50 40 GCGB O=C(O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)c1 575426086 MHLDANGXQGOPIU-BDAKNGLRSA-N 388.250 0.721 50 40 GCGB CN(C)Cc1c(C(=O)N/N=C/c2ccc(N(C)C)cc2)nnn1-c1nonc1N 2332033 FOEUUMUSRCBAFA-DJKKODMXSA-N 398.431 0.124 50 40 GCGB O=C(CNS(=O)(=O)c1ccc2c(c1)OCCO2)N/N=C\c1ccccc1O 13388713 DLOPNEDHLAUMLN-ZDLGFXPLSA-N 391.405 0.592 50 40 GCGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(C)nc2)cc1 22415207 DJSRFWGVIFBWHF-UHFFFAOYSA-N 376.438 0.780 50 40 GCGB COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccnc2)cc1OC 6544944 ANIQIDWBOUYDLZ-YBFXNURJSA-N 392.437 0.870 50 40 GCGB O=C(NNC(=O)C(=O)NNC(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 3219984 VAFMRUDSNMAFSF-UHFFFAOYSA-N 392.322 0.970 50 40 GCGB O=C(Cc1c[nH]c2ccccc12)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O 9365475 UVSPOSAHWYIPOC-UHFFFAOYSA-N 383.408 0.722 50 40 GCGB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1cccs1 13138046 GMUPSAQYFRELAE-QWRGUYRKSA-N 393.421 0.228 50 40 GCGB CCOc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 409086963 SEYVHRKGFQDKDZ-CQSZACIVSA-N 383.408 0.743 50 40 GCGB COCc1cc(C)n(CC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(=O)c1C#N 15018647 UMUCKLCJLZDDFS-DNTJNYDQSA-N 399.363 0.939 50 40 GCGB O=C(NNS(=O)(=O)c1ccccc1F)c1csc(N2CCOCC2)n1 12622934 ZTKBKUJFUMPOMN-UHFFFAOYSA-N 386.430 0.742 50 40 GCGB COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1NC(C)=O 575426431 SVQQZEWUSIDUSA-JQWIXIFHSA-N 396.874 0.336 50 40 GCGB Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)no1 408684562 NUAVOZYRLXVDMB-BOKPKCGUSA-N 399.197 1.036 50 40 GCGB Cc1n[nH]c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nc1=O 5009377 MYMHYHYPVNVCAV-UHFFFAOYSA-N 398.242 0.789 50 40 GCGB NNC(=O)C1=NO[C@@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@@H]12 8733540 FCBDESYNIKADEI-ZIAGYGMSSA-N 391.384 0.299 50 40 GCGB CC(C)(C)OC(=O)NCC1(C(=O)NNS(=O)(=O)c2cn[nH]c2)CCCC1 79094886 CNPGSNUYLKIWSL-UHFFFAOYSA-N 387.462 0.804 50 40 GCGB COc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(=O)N=C2O)cc1 17180702 IKKCAELIMPDXSJ-UVTDQMKNSA-N 381.348 0.696 50 40 GCGB NNC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 23230163 HCJAFMMONNNWHQ-SFHVURJKSA-N 388.443 0.991 50 40 GCGB COC(=O)[C@@H]1O[C@H](Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 6821683 GWTNLHGTLIBHHZ-ZIQFBCGOSA-N 397.174 0.074 50 40 GCGB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccccc2O)cc1 9645502 IXUQFUVLBGPMSF-UHFFFAOYSA-N 399.450 0.266 50 40 GCGB O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1 842929 CVWZENIFZNZERJ-UHFFFAOYSA-N 384.440 0.907 50 40 GCGB CCCc1n[nH]c2c1[C@]1(C(=O)N(CC(N)=O)c3ccccc31)C(C#N)=C(N)O2 5884018 UQSMNUPUZVKZCE-LJQANCHMSA-N 378.392 0.566 50 40 GCGB COc1cccc(/C=N\NC(=O)C(=O)N/N=C\c2cccc(OC)c2O)c1O 73335821 HGGFKPNZBFGOHM-QJUDHZBZSA-N 386.364 0.715 50 40 GCGB NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1 32189119 VUFZCJPJUSJCOT-QRVIBDJDSA-N 382.420 0.750 50 40 GCGB O=C(NNC(=O)c1ccccc1O)c1cccc(S(=O)(=O)NC2CC2)c1 17574877 JQXAJMVDXLGJAI-UHFFFAOYSA-N 375.406 0.908 50 40 GCGB COCCNC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)c(Br)c1 408805593 HDLYSOCECNXPPT-IZZDOVSWSA-N 382.214 0.983 50 40 GCGB C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)C(=O)N/N=C/c1cccc(Br)c1 942888 UDUQQMVVNZXOOE-LHGJSEJASA-N 381.190 0.171 50 40 GCGB Cc1cc(SCC(=O)NN)nc(CN(C)S(=O)(=O)c2ccccc2)n1 223459081 RMLJCPJXIQBISE-UHFFFAOYSA-N 381.483 0.688 50 40 GCGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1ccc(C(=O)O)cc1 1782457 HLNODIYSHAJOAF-MSGYXIIISA-N 383.360 0.791 50 40 GCGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 6578716 NGQDIYHDMKVHOU-SRZZPIQSSA-N 384.392 0.909 50 40 GCGB NS(=O)(=O)c1cc2c(cc1Cl)N[C@@H](CBr)NS2(=O)=O 39439386 CVTBWXDLAWVRNO-MRVPVSSYSA-N 390.668 0.412 50 40 GCGB in-vitro O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccccc1O 408531172 GILSBPJSMOIYND-LKLKBFARSA-N 384.392 0.991 50 40 GCGB NC(=O)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408739851 AZMJARJSXUYUNJ-PDMWYYABSA-N 384.215 0.467 50 40 GCGB CC(=O)N1CN(C(=O)CCCl)CN(C(C)=O)CN(C(=O)CCCl)C1 2311440 ZHTQZYAOOMCQKS-UHFFFAOYSA-N 381.260 0.442 50 40 GCGB COc1cc(C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc(OC)c1OC 4749943 IYQRZGCDUUDHDD-JTQLQIEISA-N 386.426 0.298 50 40 GCGB NC(=O)[C@H]1CC(C(=O)NNC(=O)c2ccccc2O)=NN1c1ccc(F)cc1 30571937 UCIIBBIHLVMIQP-CQSZACIVSA-N 385.355 0.413 50 40 GCGB O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)NNC(=O)c1ccccc1 165688704 YPDNLNRSXKLQRJ-MGBSGCIJSA-N 399.403 0.022 50 40 GCGB O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccncc1 408686250 REHOGZFWPDMRRD-UCFKJQRDSA-N 380.198 0.414 50 40 GCGB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)NNC(=O)c1ccccc1Cl 408669873 XHRWCQJJJUDKJS-RSUNPZPJSA-N 392.795 0.842 50 40 GCGB O=C(NNC(=O)c1cccs1)c1cccc(S(=O)(=O)N2CCOCC2)c1 12589733 OLSPXVGNQVUJGR-UHFFFAOYSA-N 395.462 0.844 50 40 GCGB COc1cc(OC)cc(C(=O)NNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 17058817 WSOMOBVWETYZRF-UHFFFAOYSA-N 390.396 0.329 50 40 GCGB O=C(CSc1nc2ccccc2o1)NNC(=O)C[C@@H]1SC(=O)NC1=O 2689025 BPKJUWMPPNAGEH-VIFPVBQESA-N 380.407 0.809 50 40 GCGB O=C(COC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1ccccc1 102591598 QSTFRNBPYVWPRI-OKILXGFUSA-N 387.392 0.166 50 40 GCGB CCOC(=O)NNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1 21770436 FSDOCXWJNPTONE-LBPRGKRZSA-N 375.472 0.864 50 40 GCGB C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)C(=O)NCCO 100805687 PBKWDZHETMAVER-UFWORHAWSA-N 375.212 0.923 50 40 GCGB COC(=O)COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1OC 408992914 UDPWHFQZJXFIQH-OCKHKDLRSA-N 399.831 0.683 50 40 GCGB N#CC1=C(N)n2c(s/c(=C\c3cccnc3)c2=O)=C(C#N)[C@@H]1c1cccnc1 8965464 MLPJCGWOZLDHGC-BOVGMKJQSA-N 384.424 0.651 50 40 GCGB COC(=O)Cc1cc(=O)[nH]c(SCC(=O)NNC(=O)c2ccccc2)n1 9049446 ATAWXQUHIXVVSB-UHFFFAOYSA-N 376.394 0.039 50 40 GCGB O=C(CNC(=O)c1ccc(F)cc1)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 4844283 KBGWYZLDLQGMEW-UHFFFAOYSA-N 385.311 0.936 50 40 GCGB COc1ccc(CCNS(=O)(=O)c2cccc(C(=O)NN)c2)cc1OC 225499797 HYXUDYNPARCDNM-UHFFFAOYSA-N 379.438 0.828 50 40 GCGB CCOc1cc(C#N)ccc1OCC(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1 8394499 AIVVMWRFIKDOHG-CYBMUJFWSA-N 395.437 0.308 50 40 GCGB CCC1(CC)NC(=O)N(CC(=O)NNC(=O)c2cc(OC)cc(OC)c2)C1=O 32991003 OFYNMYFSDRMKCI-UHFFFAOYSA-N 392.412 0.575 50 40 GCGB O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21 4132474 LJZIQNFRQRBPJN-UHFFFAOYSA-N 392.335 0.721 50 40 GCGB C/C(N)=C(\C#N)C(=O)COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 104786849 YMGFNRRDQCMWHA-NTMALXAHSA-N 380.744 0.847 50 40 GCGB O=C(NNc1ccccc1)C(=O)NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 13372005 RKSHGEUMOQIEMW-UHFFFAOYSA-N 379.354 0.048 50 40 GCGB C[C@@H]1C[C@@](O)([C@@H](C)Cl)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 85950792 CKPJPJSVQMEGBC-MCCFIOHQSA-N 387.860 0.605 50 40 GCGB CC1=C(C(=O)OC(C)C)[C@]2(C(=O)N1CC(N)=O)C(C#N)=C(N)Oc1ccccc12 4517135 YXFWYCKIQVRGHX-HXUWFJFHSA-N 396.403 0.564 50 40 GCGB O=C(COC(=O)c1cccc(N2C(=O)CCC2=O)c1)NNC(=O)c1ccccc1 8410833 YPJRNJKDMLBBTN-UHFFFAOYSA-N 395.371 0.958 50 40 GCGB CCCc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)nnn1-c1nonc1N 1872514 KBGJKVJUNKSTDU-CAOOACKPSA-N 385.344 0.857 50 40 GCGB Cc1ccc(OCC(=O)NNC(=O)c2ccccc2CN2C(=O)CNC2=O)cc1 12734358 AWAREPUHEBDGKF-UHFFFAOYSA-N 396.403 0.887 50 40 GCGB COc1ccccc1C(=O)NCCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 12950569 OUNLDFCWRJJEIZ-KRWDZBQOSA-N 399.403 0.803 50 40 GCGB COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCC(=O)OC(C)C 408603480 RFOQBWDDEDVYHD-JAIQZWGSSA-N 393.440 0.808 50 40 GCGB CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 6647845 XCZUEHSDJOWPJG-FYJGNVAPSA-N 390.440 0.291 50 40 GCGB COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)N1CCCC1 409256623 MKFOARMYRABCBP-RGVLZGJSSA-N 388.424 0.425 50 40 GCGB COCCNC(=O)/C(C#N)=C/c1c(N2CCOCC2)nc2ccccn2c1=O 2205484 HNRGEFFXUXSOHO-WYMLVPIESA-N 383.408 0.201 50 40 GCGB COc1ccc(/C(=N/NC(N)=O)[C@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 17176526 AOEOXWMQNTWQRN-PNWWAVQQSA-N 385.336 0.816 50 40 GCGB CCOC(=O)C1=C(C)S/C(=C\C(C#N)=C(/N)N2CCN(CCO)CC2)C1=O 20826952 KOHVLMJRJIALHV-YEJJPGKBSA-N 392.481 0.327 50 40 GCGB C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)C(=O)N1CCOCC1 101542283 SJDJSZMPYTXQIZ-YBFXNURJSA-N 376.369 0.095 50 40 GCGB O=C(CNC(=O)Nc1ccccc1)NNC(=O)c1n[nH]c(=O)c2ccccc12 32863601 JYDBTDOGIMFIHQ-UHFFFAOYSA-N 380.364 0.506 50 40 GCGB CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1 6953891 YVVUQCYDVTZGFJ-YDZHTSKRSA-N 382.420 0.968 50 40 GCGB CC(=O)Nc1cccc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)n1 14184035 VPAVGYHQWQKOHS-UHFFFAOYSA-N 380.364 0.362 50 40 GCGB Cc1nn(CC(=O)NNC(=O)CCn2nc([N+](=O)[O-])cc2C)c(C)c1[N+](=O)[O-] 2112467 JQUFDKFWCGHUMP-UHFFFAOYSA-N 394.348 0.059 50 40 GCGB COC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCc2cccnc2)cc1 58873243 HFHMDDUWAXHSFQ-UUYOSTAYSA-N 384.392 0.790 50 40 GCGB C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)C(=O)NCCO 100032857 UVMBQPZYWZRBDC-UFWORHAWSA-N 375.212 0.923 50 40 GCGB C/C(CC(=O)NCCN1CCOCC1)=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1 5795500 MVOFDSQBRQVTOY-XSFVSMFZSA-N 391.428 0.847 50 40 GCGB Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CC[C@@H]1NC(=O)NC1=O 15469381 JOUUKYKHCABNCE-NSHDSACASA-N 387.421 0.868 50 40 GCGB Cc1nc2c(cc1C(=O)N/N=C/c1ccc(O)c(O)c1)c(=O)n(C)c(=O)n2C 2283004 OCCZWDSHLLNMGP-UFWORHAWSA-N 383.364 0.116 50 40 GCGB O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)[C@@H]1COc2ccccc2O1 28277988 BPDDSVJRRGJOJJ-WBMJQRKESA-N 385.376 0.616 50 40 GCGB Cc1cc(OCC(=O)NNC(=O)CSc2nc(N)cc(N)n2)ccc1Cl 2074582 ZSNMZRJWSXBJRR-UHFFFAOYSA-N 396.860 0.921 50 40 GCGB N#CC1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(N)=O)[C@@H]1c1ccco1 2056702 XIOOJUQFJYPVLA-OTAKNEKHSA-N 380.385 0.009 50 40 GCGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OC)c1 8091877 YZSPCEJQEZUDAI-FSJBWODESA-N 398.419 0.587 50 40 GCGB CCCOc1ccc(/C=N\NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc1OC 31776257 WCDKSXTXAKNASS-ZDLGFXPLSA-N 375.385 0.339 50 40 GCGB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O 4017422 CRKYKLQWHFYTOY-FBHJIVSASA-N 381.020 0.849 50 40 GCGB CCOc1ccc(C(=O)NNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1 12974628 ONJZYGQDPSCWQP-UHFFFAOYSA-N 382.376 0.550 50 40 GCGB COc1cccc(/C=N/NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)c1O 1684976 HGGFKPNZBFGOHM-LQGKIZFRSA-N 386.364 0.715 50 40 GCGB NNC(=O)C1=NO[C@@H]2COC3(CCN(c4ccc([N+](=O)[O-])cc4)CC3)OC[C@H]12 8733541 FCBDESYNIKADEI-UONOGXRCSA-N 391.384 0.299 50 40 GCGB O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NNC1=NCCC1 3243437 HMLFWFCWCWWJPT-UHFFFAOYSA-N 380.470 0.453 50 40 GCGB CN(C)N(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 5298385 BBWHOGIMFFJZGT-CYBMUJFWSA-N 389.499 0.043 50 40 GCGB CS(=O)(=O)N(Cc1ccccc1)Cc1nc(N)cc(SCC(=O)NN)n1 223463865 ZTKOIQUESLVEBK-UHFFFAOYSA-N 396.498 0.103 50 40 GCGB O[C@@H]1[C@H](CI)O[C@H](Oc2ccccc2F)[C@H](O)[C@@H]1O 4042334 DOVMHDGVJXZRFX-KQSJRHEJSA-N 384.141 0.447 50 40 GCGB biogenic COC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2)c2ccccc21 5793912 JCMBQHKKKZSVDH-NKFKGCMQSA-N 394.387 0.457 50 40 GCGB Cc1ccsc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)C 2399137 CMJBPDCUYUMXSI-OMCISZLKSA-N 375.418 0.428 50 40 GCGB COc1ccccc1/C=C\C=N\NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C 12318539 PXARSLUFRVKKSR-IHYYBNPGSA-N 396.407 0.258 50 40 GCGB O=C1C[C@@H](C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c2ccc(F)cc2N1 14118352 FPIYSFOLGDJMPC-CYBMUJFWSA-N 395.350 0.949 50 40 GCGB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NNC(=O)c1ccc(F)cc1 7062324 YRPWGSFBLBHAEB-UHFFFAOYSA-N 386.295 0.791 50 40 GCGB CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OC)c1 6879439 XNUWAKGQGCRSSZ-CIAFOILYSA-N 390.440 0.673 50 40 GCGB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/NNC(=O)c1ccccc1O 9236072 DQQRXNHGMSJEEE-JLHYYAGUSA-N 382.401 0.958 50 40 GCGB Cc1ccc(S(=O)(=O)CCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)cc1 12818792 XFMVBOFXPFTNQW-CQSZACIVSA-N 388.511 0.651 50 40 GCGB O=C(C[C@@H]1C(=O)NCCN1C(=O)CBr)OCCOc1ccccc1 35604981 SNNYPHFXBHUDRO-CYBMUJFWSA-N 399.241 0.721 50 40 GCGB C=CCNC(=O)/C(C#N)=C\c1c(N2CCN(C)CC2)nc2c(C)cccn2c1=O 26841950 XAUMIBULRBKYEI-SSZFMOIBSA-N 392.463 0.964 50 40 GCGB C[C@H]1CN(CC(=O)NNC(=O)c2ccc(C#N)cc2)CC[C@@H]1N1CCN(C)CC1 95449876 VSHQUWZIUSALEN-LPHOPBHVSA-N 398.511 0.277 50 40 GCGB CCOC(=O)C1=C(C)S/C(=C\C(C#N)=C(\N)N2CCN(CCO)CC2)C1=O 100692259 KOHVLMJRJIALHV-OOERXGCTSA-N 392.481 0.327 50 40 GCGB CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409273220 WERDYRTWHHKIRK-MQMKENTISA-N 390.440 0.289 50 40 GCGB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C/N=C(\S)NNC(C)=O 16958438 OZVJREWBNOESSH-FMIVXFBMSA-N 375.410 0.763 50 40 GCGB O=C1[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)N1n1cnnc1)[C@@H](Br)[C@@H]3Br 195528754 RHEXKHUSPUMDAD-VMQOHUEUSA-N 390.035 0.692 50 40 GCGB CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C(\C)c1ccncc1 25781680 IHVGALDTCASIFL-RGVLZGJSSA-N 398.431 0.623 50 40 GCGB C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)C(=O)N1CCOCC1 100059533 VXVRNCSRUURAQJ-WSDLNYQXSA-N 390.484 0.668 50 40 GCGB COC(=O)[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C](OC(C)=O)[C@@H]1OC(C)=O 1560406047 CKQHDHKDXDWLEE-USZNOCQGSA-N 396.166 0.238 50 40 GCGB O=CNNC(=S)N/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 408526862 CPTWDMFXGWJGPW-XYOKQWHBSA-N 383.389 0.432 50 40 GCGB Cc1c(/C=N/NC(=O)c2cc(Br)ccc2O)c(=O)n(C)c(=O)n1C 3140850 FRBFHLSIUUMUJW-REZTVBANSA-N 395.213 0.624 50 40 GCGB CCn1nc(C(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)c2ccccc2c1=O 32906333 PUAJUKGQOGKNOF-LLVKDONJSA-N 387.440 0.728 50 40 GCGB O=C(CC(=O)N/N=C/c1ccc([N+](=O)[O-])o1)N/N=C\c1ccc([N+](=O)[O-])o1 58900396 RWHXFXSLNZQSSM-GEMWTQJRSA-N 378.257 0.680 50 40 GCGB C/C(NNC(=O)c1ccncc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 9329895 CBFQAURHSLTASO-NTCAYCPXSA-N 379.376 0.869 50 40 GCGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 58873319 XDNLXTDFKAAWTL-PPAWOMOGSA-N 390.440 0.335 50 40 GCGB CCS(=O)(=O)N1CCC[C@H](C(=O)NNC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)C1 102364548 OCHVHRWOGALFMU-YIYPIFLZSA-N 388.559 0.732 50 40 GCGB C=CCNC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2ccccn2c1=O 2398705 WUQRNFDPPJXDBK-FYWRMAATSA-N 378.436 0.655 50 40 GCGB CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 58873315 XDNLXTDFKAAWTL-CTJICSLTSA-N 390.440 0.335 50 40 GCGB CCN(CC)Cc1c(C(=O)N/N=C/c2ccc(O)cc2)nnn1-c1nonc1N 1753257 RODOGCGLIDDMDL-DJKKODMXSA-N 399.415 0.544 50 40 GCGB C[C@@H](OC(=O)c1ccccc1-n1cnnn1)C(=O)NNC(=O)c1ccccc1 20066931 ZPKVJIJNMDQPCG-GFCCVEGCSA-N 380.364 0.669 50 40 GCGB O=C(COC(=O)c1ccc(O)cc1O)NNC(=O)c1ccc([N+](=O)[O-])cc1 32957385 HFGDHPJSAJMTKH-UHFFFAOYSA-N 375.293 0.624 50 40 GCGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 6065359 NUVZFIOPRGXZOT-CZAWJFPGSA-N 378.406 0.449 50 40 GCGB O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1 15795357 RMQVKMKGJSYCLA-HNNXBMFYSA-N 381.344 0.270 50 40 GCGB COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1 2173206 RZASKRGMEQUGLB-UFFVCSGVSA-N 384.392 0.957 50 40 GCGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@H]1Cc2ccccc2CN1S(C)(=O)=O 4013655 QDFDZOSFDQMPFZ-QKXCFHHRSA-N 377.422 0.241 50 40 GCGB CCn1c(NNC(=O)Cn2nnc3ccccc3c2=O)nc2ccccc2c1=O 11162922 MMKRUVZMVKVEQX-UHFFFAOYSA-N 391.391 0.665 50 40 GCGB CCNC(=O)/C(C#N)=C/c1c(N2CCN(C)CC2)nc2c(C)cccn2c1=O 2204507 NZSXRUUBGZSPBF-NTCAYCPXSA-N 380.452 0.798 50 40 GCGB COc1ccc(S(=O)(=O)NNC(=O)c2ccc(O)cc2)cc1NC(C)=O 8325244 VYNQPLJWHXTZPP-UHFFFAOYSA-N 379.394 0.983 50 40 GCGB CC(C)NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 408996986 KWZBRCDIIDZIGG-ZDLGFXPLSA-N 392.437 0.733 50 40 GCGB O=C(CN1C(=O)COc2ccccc21)NNS(=O)(=O)c1cc(F)cc(F)c1 12947964 RRZJNUFQONYCEU-UHFFFAOYSA-N 397.359 0.700 50 40 GCGB Cc1ccccc1OCC(=O)NNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O 6648905 QBIZDIJOPFAAGN-UHFFFAOYSA-N 382.376 0.225 50 40 GCGB CC(C)C(=O)NNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1F 585138533 YUOJCEVFVKUZSH-UHFFFAOYSA-N 382.211 0.653 50 40 GCGB COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)C 2233890 VPKBKVBEDWZJIS-QGMBQPNBSA-N 385.388 0.067 50 40 GCGB O=C(CNC(=O)C1=C[C@H]2OCCO[C@@H]2C=C1)N/N=C/c1ccc2c(c1)OCO2 13893480 KSPOAWJTNCHEEY-VFSYWRQGSA-N 385.376 0.262 50 40 GCGB O[C@@H]1[C@@H](CI)O[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1O 12661560 DOVMHDGVJXZRFX-RMPHRYRLSA-N 384.141 0.447 50 40 GCGB COc1ccc(/C(C)=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1OC 25763928 FGYQZGUJDYHKDZ-QGMBQPNBSA-N 386.372 0.712 50 40 GCGB CS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2n[nH]c3c2CCCC3)c1 12540437 WUFNJXLKNORDHR-UHFFFAOYSA-N 376.438 0.908 50 40 GCGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@H](c3ccccc3)C(C(N)=O)=C2S1 3771935 BHKRQMLMCLWEFM-ZDUSSCGKSA-N 382.401 0.807 50 40 GCGB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C)[nH]c(=O)[nH]c1=O 2388354 KUUVFDURTPLUQW-XXEYYZDMSA-N 381.433 0.761 50 40 GCGB Cn1nc(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc2c1=O 6788516 HSHZJLHUJZUZJU-UHFFFAOYSA-N 394.313 0.610 50 40 GCGB CCn1nc(C(=O)NNC(=S)NC[C@H]2CCCO2)c2ccccc2c1=O 7639947 GCIGAESOZKNRAQ-LLVKDONJSA-N 375.454 0.704 50 40 GCGB C/C(=N\NC(=O)c1c(CN2CCCC2)nnn1-c1nonc1N)c1ccncc1 33407303 SCTAKNDMZTVZJY-RGVLZGJSSA-N 396.415 0.377 50 40 GCGB O=C(O)c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c1 575426089 MHLDANGXQGOPIU-RKDXNWHRSA-N 388.250 0.721 50 40 GCGB COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)cc1 3640433 WYCDSIBJIVRHHO-QGMBQPNBSA-N 385.388 0.067 50 40 GCGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1ccc2c(c1)OCO2 1952876 NYLTWNJASUTXOV-JDHZHDAUSA-N 383.360 0.822 50 40 GCGB O=C(NN/C(=N\O)P(=O)(N1CCOCC1)N1CCOCC1)c1ccccc1 4772844 RBGPMPNABBUFPK-UHFFFAOYSA-N 397.372 0.524 50 40 GCGB CN(C)N(C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 12818800 IPWCBPRZSQOQHD-GFCCVEGCSA-N 379.438 0.165 50 40 GCGB COC(=O)CC1=C(C(=O)OC)[C@]2(C(=O)N1C)C(C#N)=C(N)Oc1ccccc12 4517046 OQFRTPBCYAPEJT-LJQANCHMSA-N 383.360 0.473 50 40 GCGB COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1C 4517088 AWPCFKYTMODGON-IBGZPJMESA-N 383.360 0.473 50 40 GCGB Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1n[nH]c2c1CCCC2 12547943 HSFWLJLYSYGELN-UHFFFAOYSA-N 378.410 0.918 50 40 GCGB C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)[C@H]1COc3ccccc3O1)CS2 105665281 LGYAINOXRJZLTD-GDKCJGSASA-N 377.422 0.428 50 40 GCGB COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1 8103418 QZRQJTMDDYIRON-FYJGNVAPSA-N 390.440 0.291 50 40 GCGB CC(=O)OC[C@@H]1O[C@H](N=C=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 256009347 WOWNQYXIQWQJRJ-AHDPXTMNSA-N 389.382 0.172 50 40 GCGB O=C1C[C@@]2(C[C@H](O)CO)C[C@@H](O1)[C@H](I)CC21OCCO1 1642809 PBOWNWIIYAMDIG-BTQIBKBOSA-N 398.193 0.372 50 40 GCGB CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccn2)cc1 16321320 SIDRORVQOCSJBK-YBFXNURJSA-N 389.437 0.811 50 40 GCGB C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(=O)n(C)n1 46868036 UGQLHSVJZGIJGG-VIFPVBQESA-N 395.213 0.771 50 40 GCGB C=C1C(=O)O[C@@H]2/C=C(\C=O)[C@@H]3O[C@@H]3[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12 104229826 DQEWTAGBSOHJQY-OPNDMSLZSA-N 390.388 0.389 50 40 GCGB COc1cc(C(=O)NNC(=O)Cc2nc(C)cs2)ccc1OCC(N)=O 12695372 PRDKFGHAFHJQDR-UHFFFAOYSA-N 378.410 0.328 50 40 GCGB Cc1n[nH]c(C)c1S(=O)(=O)NNC(=O)c1cc(Br)cn1C 14117555 UQMUGAMQBGRVLJ-UHFFFAOYSA-N 376.236 0.751 50 40 GCGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 58873833 HOQXGLAHFOKQRF-CTJICSLTSA-N 390.440 0.335 50 40 GCGB O=NN(CC(=O)N/N=C\c1ccccc1O)CC(=O)N/N=C\c1ccccc1O 104330268 NCHWFUJCPSDCAD-QJUDHZBZSA-N 398.379 0.682 50 40 GCGB COCC1=C(C(=O)OC)[C@]2(C(=O)N(C(C)=O)c3ccccc32)C(C#N)=C(N)O1 4452140 COSYNIBJGPQQQW-LJQANCHMSA-N 383.360 0.615 50 40 GCGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C\c1ccc2c(c1)OCO2 31902244 NYLTWNJASUTXOV-CNSYBHNRSA-N 383.360 0.822 50 40 GCGB CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccco2)c2ccccc21 5644490 ALJBXYHYWODWOS-XLNRJJMWSA-N 398.375 0.440 50 40 GCGB CC(C)C(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 14245383 PSJQNNCQFPTPPV-UHFFFAOYSA-N 375.472 0.437 50 40 GCGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C\c1ccc2c(c1)OCO2 31902242 NYLTWNJASUTXOV-HNHUPEPESA-N 383.360 0.822 50 40 GCGB CC(=O)NCc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 575421338 JDMNBSJUGCXWOR-OLZOCXBDSA-N 380.875 0.005 50 40 GCGB N#Cc1ccccc1OCC(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O 6948380 KEMOABCIQCENCH-UHFFFAOYSA-N 392.371 0.771 50 40 GCGB O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)[C@H]1COc2ccccc2O1 12898616 SSEHQGNUWSGVKI-OAHLLOKOSA-N 380.364 0.328 50 40 GCGB CC(=O)NCc1ccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 575421333 JDMNBSJUGCXWOR-CHWSQXEVSA-N 380.875 0.005 50 40 GCGB COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C)c1 2371369 MTLCCCFIBPJANS-QGMBQPNBSA-N 385.388 0.067 50 40 GCGB CCN1C(=O)C(=CNNC(=O)Cc2ccc(F)cc2)C(=O)N(CC)C1=S 9596302 GQYRYYVNKBCZCV-UHFFFAOYSA-N 378.429 0.868 50 40 GCGB Cc1noc(C)c1CC(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 16594047 UFBGGWFPDMMOQG-UHFFFAOYSA-N 380.426 0.545 50 40 GCGB O=C(Cc1nnc(NC(=O)c2nc[nH]n2)s1)N/N=C/c1c[nH]c2ccccc12 408731922 QVGSKCTVDQRAGW-FBCYGCLPSA-N 395.408 1.083 50 40 GCGB C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)c3cccc(B(O)O)c3)c2)C1=O 584987346 MHYCCVWHNYSNCA-HXUWFJFHSA-N 393.208 0.844 50 40 GCGB Cc1ccc2c(c1)CCCN2CC(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1 12527180 AUGUNFIFQREVIN-CQSZACIVSA-N 379.482 0.720 50 40 GCGB O=C(NNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)[C@@H]1COc2ccccc2O1 72276900 TWUXIOUMSYGZGW-SKDRFNHKSA-N 387.314 0.385 50 40 GCGB O=C(NNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1ccncc1 4599730 FDWHVLSBTALVTN-CQSZACIVSA-N 394.387 0.931 50 40 GCGB CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 8091882 UBBHEEKQMXYFRD-SRZZPIQSSA-N 384.392 0.909 50 40 GCGB C/C(CC(=O)Nc1ccc(NC(=O)C/C(C)=N\NC(N)=O)cc1)=N/NC(N)=O 5810443 FLJOTYONAANWLC-KGIZCEIGSA-N 390.404 0.432 50 40 GCGB CC(C)CC(=O)NNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 22699048 FFKLJZSDSBCOKE-AWEZNQCLSA-N 383.470 0.951 50 40 GCGB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)NNC(=O)c1ccc(Cl)cc1 408656393 MCBOMCQSOHQJKA-BRIGZHOFSA-N 392.795 0.842 50 40 GCGB COc1ccc(C(=O)NNC(=O)CCn2c(=O)[nH]c3ccccc3c2=O)cc1 13569666 YNLWDOSUAVOPCB-UHFFFAOYSA-N 382.376 0.550 50 40 GCGB COC(=O)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1 2246076 DIGHMJFFLSLJFP-UFWORHAWSA-N 398.383 0.906 50 40 GCGB O=C(CCN1C(=O)COc2ccccc21)NNC(=O)c1ccc2c(c1)OCO2 8141397 SSDYJYLENBGSSV-UHFFFAOYSA-N 383.360 0.992 50 40 GCGB Cn1cnnc1SCC(=O)NNC(=O)CSc1nc2ccccc2o1 22636565 PZZHQHQCGZZPFH-UHFFFAOYSA-N 378.439 0.988 50 40 GCGB COc1cc(/C=N/NC(=O)C(N)=O)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 13879039 ASDYGZRQCVCYAX-FZQSAYOTSA-N 390.440 0.799 50 40 GCGB COc1ccc(C)cc1N(CC(=O)NN=C1CCN(C)CC1)S(C)(=O)=O 16290932 FWDLCJOQWBPBBD-UHFFFAOYSA-N 382.486 0.967 50 40 GCGB O=NN(CC(=O)N/N=C\c1ccccc1O)CC(=O)N/N=C/c1ccccc1O 4692256 NCHWFUJCPSDCAD-KFSYKRRRSA-N 398.379 0.682 50 40 GCGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@H](c3cccs3)C(C(N)=O)=C2S1 5242358 CXZGOCLOVWNBIA-LLVKDONJSA-N 388.430 0.868 50 40 GCGB Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)c3ccc4c(c3)OCO4)ccc21 22903018 HHZIPHWWIRZKGY-UHFFFAOYSA-N 391.361 0.484 50 40 GCGB CN1C(=O)/C(=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c2ccccc21 409339971 NSFURENZNYRGMP-LVZFUZTISA-N 386.433 0.950 50 40 GCGB O=C(COC(=O)Cn1nc(O)c2ccccc2c1=O)NNC(=O)c1ccccc1 4407070 USIRXKPUYFSIAE-UHFFFAOYSA-N 396.359 0.107 50 40 GCGB CN(C)c1ccc(/C=N/NC(=O)COc2nsnc2N2CCOCC2)cc1 5797716 CJPQHWSYBAMAJV-WOJGMQOQSA-N 390.469 0.970 50 40 GCGB NNC(=O)c1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3)CC2)cc1 23230165 HCJAFMMONNNWHQ-GOSISDBHSA-N 388.443 0.991 50 40 GCGB CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC(N)=O)cc3)[C@H]2C1 4786320 DKKWBVZJPMHMMX-PKOBYXMFSA-N 388.431 0.906 50 40 GCGB COc1ccc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc1Br 951027 UOYKXOFWUDVUBS-FRKPEAEDSA-N 396.201 0.312 50 40 GCGB Cc1cccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(C)c3ccccc32)c1 4825731 PHMGNMMYGHEICV-NMWGTECJSA-N 380.404 0.987 50 40 GCGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C\c1ccc(C(=O)O)cc1 31870534 HLNODIYSHAJOAF-JZKGFHEDSA-N 383.360 0.791 50 40 GCGB COc1cc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC 409080909 OLGHJWIMQSIQKY-CYBMUJFWSA-N 399.407 0.361 50 40 GCGB CC(C)NC(=O)C(=O)NNS(=O)(=O)c1cc2nc(Cl)ccc2s1 585138354 IMSFPWYPCGLJOG-UHFFFAOYSA-N 376.847 0.784 50 40 GCGB Cc1cc(C(=O)NNC(=O)[C@@H](C)NC2=NS(=O)(=O)c3ccccc32)c(C)o1 6784908 JYTZLZDCFFRWGK-SNVBAGLBSA-N 390.421 0.785 50 40 GCGB COCCn1nc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)ccc1=O 21924824 SYPLULUQMSPDCY-CQSZACIVSA-N 388.424 0.735 50 40 GCGB O=C(NNC(=O)C(F)(F)F)c1cccc(C(=O)NNC(=O)C(F)(F)F)c1 3022455 GUYQIWDMIZCGCP-UHFFFAOYSA-N 386.208 0.333 50 40 GCGB COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC(C)C)cc1 58873045 UMZPAMJBJFVDFG-JAIQZWGSSA-N 378.429 0.193 50 40 GCGB C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)Cc1ccccc1 12753442 ALFBYNILCRORGS-LBPRGKRZSA-N 379.413 0.883 50 40 GCGB NS(=O)(=O)c1ccc(CCN(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)cc1 40177590 VJGFPRTVJJOIFX-GFCCVEGCSA-N 394.902 0.131 50 40 GCGB O=C(CBr)OCCOCCOCCOC(=O)CBr 4430047 LUHLBYJFEYZJFL-UHFFFAOYSA-N 392.040 0.896 50 40 GCGB COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 32990997 VXBLKMAXFRSTBD-DYVFJYSZSA-N 379.438 0.919 50 40 GCGB O=C(Nc1cccc(C(=O)N2CCC[C@@H](CO)C2)c1)c1cccc(B(O)O)c1 584971306 OOOJKDBXEPCIJY-CQSZACIVSA-N 382.225 0.463 50 40 GCGB CCCCC(=O)NN/C=C1\C(=O)NC(=O)N(c2cc(OC)ccc2OC)C1=O 4811464 LBONKUGROCVNOA-ZRDIBKRKSA-N 390.396 0.982 50 40 GCGB COc1ccc(CC(=O)NNC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 245228170 IIKHSKYESANIDB-APHBMKBZSA-N 385.420 0.725 50 40 GCGB NNC(=O)c1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(C(=O)NN)cc2)cc1 12559202 GBBWRMNFJQQBAW-HDICACEKSA-N 388.380 0.050 50 40 GCGB COCc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnn1-c1nonc1N 3118101 VWIKCUSXFXWRCJ-OMCISZLKSA-N 387.316 0.051 50 40 GCGB COCc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 8873276 YRGHWLWOFCRNPQ-OMCISZLKSA-N 387.316 0.051 50 40 GCGB COc1cc(S(=O)(=O)NNC(=O)c2cccc(O)c2)ccc1NC(C)=O 13040620 MWCJAYJBCLBSQU-UHFFFAOYSA-N 379.394 0.983 50 40 GCGB O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)[C@H]1COc2ccccc2O1 13021245 RHIQXXJREHVJOQ-MRXNPFEDSA-N 399.359 0.133 50 40 GCGB N=C(NNC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc([N+](=O)[O-])c1 67351070 FAZBBEKUZOXYIE-UHFFFAOYSA-N 387.312 0.607 50 40 GCGB O=C(CNC(=O)C1=C[C@@H]2OCCO[C@H]2C=C1)N/N=C/c1ccc2c(c1)OCO2 13893483 KSPOAWJTNCHEEY-HCYPWWKESA-N 385.376 0.262 50 40 GCGB Cc1csc(=O)n1CC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1 7989267 FFYVNHZDVYGNCR-UHFFFAOYSA-N 383.813 0.876 50 40 GCGB COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@@H](c3cccs3)C(C(N)=O)=C2S1 5242362 CXZGOCLOVWNBIA-NSHDSACASA-N 388.430 0.868 50 40 GCGB CC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc(-n2cnnn2)cc1)c1ccccc1 9376537 UHDCINVHVJDVEH-KRWDZBQOSA-N 393.407 0.691 50 40 GCGB COc1cc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc(OC)c1O 2542052 VWKIPMNWWNCLLH-UBKPWBPPSA-N 388.344 0.028 50 40 GCGB Cn1nc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2ccccc2c1=O 3396127 DAKYUJUICLMCQG-OAHLLOKOSA-N 380.360 0.535 50 40 GCGB COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1Cl 575426321 QZGUPZNILRZZTG-MNOVXSKESA-N 396.874 0.336 50 40 GCGB O=C(NNC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1cccnc1 1010598 ZMLXONXJWBYHIG-CQSZACIVSA-N 394.387 0.931 50 40 GCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 5662712 IQUKXMDZFZJLRG-UOBXZYDMSA-N 376.372 0.909 50 40 GCGB CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1cccc([N+](=O)[O-])c1 409026193 INOPRCSFRNHRHQ-LICLKQGHSA-N 377.382 0.906 50 40 GCGB O=C(NNC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1cccnc1 1010599 ZMLXONXJWBYHIG-AWEZNQCLSA-N 394.387 0.931 50 40 GCGB O=C(CNC(=O)Nc1nnc(S)s1)N/N=C\c1ccc2c(c1)OCO2 33709487 PLKNECCVPATNSS-TVPGTPATSA-N 380.411 0.827 50 40 GCGB CC(C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1 2643848 CTFWZXDUUVXVAJ-LBPRGKRZSA-N 376.335 0.925 50 40 GCGB N#C/C(=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1nn(CCO)c(N)c1C#N 408721293 NZLFBIOSKPHKEW-YCRREMRBSA-N 385.296 0.915 50 40 GCGB COc1ccc(OCC(=O)N/N=C2\C(=O)NC(=O)N=C2O)c(Br)c1 6924471 ZCOJICLZAAVKKY-UHFFFAOYSA-N 399.157 0.515 50 40 GCGB O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 72276899 TWUXIOUMSYGZGW-BXKDBHETSA-N 387.314 0.385 50 40 GCGB COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)NC[C@H]1CCCO1 101510192 AVGPPOGMPPOKSM-LNOXHEFASA-N 376.413 0.811 50 40 GCGB C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 104863317 YIZKXFORFMGMPU-POKNLVKOSA-N 385.376 0.679 50 40 GCGB O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1c(Cl)ccc(Cl)c1Cl 943658 DLNUGIDLNPRLTG-IJUHEHPCSA-N 391.602 0.981 50 40 GCGB NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc3c(c2)OCO3)ccc1Cl 6558465 OLMAJTWGQBKKGA-UHFFFAOYSA-N 397.796 0.791 50 40 GCGB O=C(O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 29748518 CRKYKLQWHFYTOY-FMTREKDRSA-N 381.020 0.849 50 40 GCGB Cc1ccc(N2C[C@H](C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CC2=O)cc1 24969281 AZRWKWDRCGIXGE-GDBMZVCRSA-N 379.482 0.840 50 40 GCGB C=C1C(=O)O[C@@H]2/C=C(/C=O)[C@@H]3O[C@@H]3[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C\C)CO)[C@@H]12 104229822 DQEWTAGBSOHJQY-AKDCEFEBSA-N 390.388 0.389 50 40 GCGB O=C(O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)c1 575426088 MHLDANGXQGOPIU-IUCAKERBSA-N 388.250 0.721 50 40 GCGB CCn1nc(C(=O)NNC(=O)CNC(=O)c2ccccc2)c2ccccc2c1=O 6454658 WTRLRUWSKWJXIW-UHFFFAOYSA-N 393.403 0.607 50 40 GCGB CC(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 8036287 KVXCTVWTPAAIHR-GFCCVEGCSA-N 392.275 0.919 50 40 GCGB O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccncc1 408686249 REHOGZFWPDMRRD-MOCCIAMBSA-N 380.198 0.414 50 40 GCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccn2)c1CN1CCCCC1 2188285 BFLOCELDOUUNJA-KEBDBYFISA-N 396.415 0.377 50 40 GCGB COc1cc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)ccc1OC(C)C 5012116 YYHSICBFUAETDL-GIJQJNRQSA-N 375.385 0.337 50 40 GCGB C/C(=N\NC(=O)C(=O)NN)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100370339 JARJZYFNAQTXFE-SSDVNMTOSA-N 379.376 0.526 50 40 GCGB CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)n(C)c1 29769419 MEJMIXWQUXTKTA-UHFFFAOYSA-N 389.437 0.500 50 40 GCGB COc1cccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3O)C2=O)c1 4812389 YWOWJPRCBFTZML-GXDHUFHOSA-N 396.359 0.802 50 40 GCGB CN1C(=O)/C(=C\NNC(=O)c2ccncc2)C(=O)N(c2ccccc2)C1=S 19994724 UQQIHXSFDHNKIZ-SDNWHVSQSA-N 381.417 0.990 50 40 GCGB COc1cc(C(=O)NC(=S)NNC(=O)c2cnccn2)cc(OC)c1OC 2253755 YKNJJKREQZTLPY-UHFFFAOYSA-N 391.409 0.452 50 40 GCGB COC(=O)CC1=C(C(=O)OC)[C@]2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1 989154 KCCAWKKEIAPNEX-LJQANCHMSA-N 383.360 0.615 50 40 GCGB O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CC(=O)N(CC(F)(F)F)C1 72276902 TWUXIOUMSYGZGW-CABZTGNLSA-N 387.314 0.385 50 40 GCGB COC(=O)C[C@@H]1SC2=C(C(N)=O)[C@@H](c3cccs3)C(C#N)=C(N)N2C1=O 3764203 YFMFSXOAAFEFNX-GXSJLCMTSA-N 390.446 0.743 50 40 GCGB COc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1NC(C)=O 575426432 SVQQZEWUSIDUSA-PWSUYJOCSA-N 396.874 0.336 50 40 GCGB CC(C)(C)OC(=O)NNC(=O)CNC(=O)CNC(=O)OCc1ccccc1 95871143 LRCWBAFXCNLBND-UHFFFAOYSA-N 380.401 0.585 50 40 GCGB Cn1c(CC(=O)NNC(=O)c2cccc(-n3cnnn3)c2)nc2ccccc21 5269085 RFQGBKPHRFVPLT-UHFFFAOYSA-N 376.380 0.553 50 40 GCGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1 58873930 FVASNUXQSKPVQV-FSJBWODESA-N 397.435 0.752 50 40 GCGB CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1c(C)[nH]c(=O)[nH]c1=O 1772759 UAJGKFWZRWQGKH-CPWFCVNUSA-N 399.473 0.468 50 40 GCGB CCOC(=O)C1=C(C)S/C(=C/C(C#N)=C(\N)N2CCN(CCO)CC2)C1=O 100692258 KOHVLMJRJIALHV-NNVCZZOXSA-N 392.481 0.327 50 40 GCGB C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(S(N)(=O)=O)ccc1F 58146747 GHIJXEPCOSSNES-SECBINFHSA-N 399.375 0.841 50 40 GCGB CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCC(=O)O 408994062 FLCVCWDYAQUOHN-OCKHKDLRSA-N 399.831 0.984 50 40 GCGB CNC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OC)c1 8091869 XDANRWUMDRGXHU-LHHJGKSTSA-N 377.138 0.202 50 40 GCGB O=C(CCl)OCCOCCN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1 217380854 IFSIOHMGLGZNFG-SNVBAGLBSA-N 376.258 0.040 50 40 GCGB Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/NNC(N)=O)C1=O 19596840 OEMOHMXXADXPBH-YVMONPNESA-N 382.174 0.397 50 40 GCGB CCc1ccc(OCC(=O)NNC(=O)CSc2nc(N)cc(N)n2)cc1 2074583 ROCGDQYXHHTZHU-UHFFFAOYSA-N 376.442 0.522 50 40 GCGB COC(=O)CC1=C(C(=O)OC)[C@@]2(C(=O)N1C)C(C#N)=C(N)Oc1ccccc12 4517047 OQFRTPBCYAPEJT-IBGZPJMESA-N 383.360 0.473 50 40 GCGB O=C(N/N=C/c1ccc(OS(=O)(=O)N2CCOCC2)cc1)c1ccncc1 255187431 DMABAXYCNYRQIJ-CPNJWEJPSA-N 390.421 0.801 50 40 GCGB CCC(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409388942 YIKNYOWXFHXQAD-NFWAQSGPSA-N 387.392 0.840 50 40 GCGB C[C@@H](NC(=O)CI)C(=O)Nc1ccc(C(=O)O)c(O)c1 1713459 ZVZJSRWNPDLZIJ-ZCFIWIBFSA-N 392.149 0.969 50 40 GCGB O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C1\C(=O)Nc2ccccc21 6231286 ZLBVTEHLXZIBOP-OAHLLOKOSA-N 380.360 0.415 50 40 GCGB Cc1cccn2c(=O)c(/C=C(/C#N)C(N)=O)c(N3CCC(C(N)=O)CC3)nc12 27022823 YMDOVUSZMJFQMT-LCYFTJDESA-N 380.408 0.097 50 40 GCGB O=C(CN1CCCC1)NN[C@@H]1CCc2c1[nH]c(=O)n(C1CCCCC1)c2=O 35682660 DWZBBQWXHSXTQJ-OAHLLOKOSA-N 375.473 0.746 50 40 GCGB CO[C@H]1O[C@@H](CBr)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5664579 JEEGQLMJZGMZSR-CLPYTZEMSA-N 383.191 0.548 50 40 GCGB Cn1c(=O)n(CC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 22078443 RHCFDKYSWZUQPI-INIZCTEOSA-N 382.376 0.327 50 40 GCGB O=C(CCNc1nnc(O)nc1O)N/N=C/c1ccccc1Br 13544155 KRVHQUGJZLZZNE-FRKPEAEDSA-N 381.190 0.998 50 40 GCGB O=C(CNc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccc(Oc2ccccc2)c1 943667 NZUGYVALAVVICE-KEBDBYFISA-N 380.364 0.813 50 40 GCGB CCOC(=O)/C(C#N)=C/C(C(=O)OCC)=C(/N)N1CCN(c2ccccn2)CC1 5195025 LXCNIQJBCVFLKG-LDLWNPHPSA-N 399.451 0.950 50 40 GCGB C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2)c2ccccc21 5826339 XCDKXRJLFUDQNC-GFMRDNFCSA-N 390.399 0.682 50 40 GCGB Cc1ccc(S(=O)(=O)NCC(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1 95116921 OHGNSGUZSAUKNO-UHFFFAOYSA-N 397.478 0.591 50 40 GCGB CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(O)c(OC)c2)s1 408732707 XQXMORROICGWIE-LZYBPNLTSA-N 379.398 1.514 50 40 GCGB Cc1occc1C(=O)NNS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 40158024 AFXAGGYMRNBKSW-UHFFFAOYSA-N 376.387 0.754 50 40 GCGB CS(=O)(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)Cl)CC3=O)cc2)CC1 45958025 IALLLGFHKZFKRG-LBPRGKRZSA-N 385.873 0.887 50 40 GCGB C[C@H]1C[C@@](O)([C@@H](C)Cl)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@]1(C)O)[C@H]23 85950795 CKPJPJSVQMEGBC-CMRKIBDRSA-N 387.860 0.605 50 40 GCGB COc1cc(/C=N/NC(=O)C[C@H]2C(=O)NN=C2C)cc(OC)c1OC(C)=O 100327044 CLKLYSMXTKQIPC-VGTRTNLYSA-N 376.369 0.591 50 40 GCGB COCCN1C(=O)/C(=C(/C)NNC(=O)Cc2ccc(F)cc2)C(=O)NC1=S 13150319 ZDGTXEWLWUBIBG-UVTDQMKNSA-N 394.428 0.153 50 40 GCGB CC1(C)O[C@@H]2O[C@H](C(=O)NNC(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 13633353 BGMTWABTHDGCHS-RVFOSREFSA-N 392.408 0.844 50 40 GCGB CC(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 8036286 KVXCTVWTPAAIHR-LBPRGKRZSA-N 392.275 0.919 50 40 GCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(F)c2)c1CN1CCCC1 12428752 AQAIMNLFOJJLGB-AWQFTUOYSA-N 399.390 0.731 50 40 GCGB O=C(CCCC(=O)NNC(=O)Cc1ccccc1)NNC(=O)Cc1ccccc1 97940346 IIAZLAJZYGQRQO-UHFFFAOYSA-N 396.447 0.937 50 40 GCGB NC(=O)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 408739853 AZMJARJSXUYUNJ-SDUWKLLGSA-N 384.215 0.467 50 40 GCGB C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)C(=O)NCCO 14922683 NQSBCLBMHUBWHP-GIJQJNRQSA-N 385.218 0.378 50 40 GCGB Cc1nnsc1C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1 28284203 DGPRMJWGYDYXHT-VCHYOVAHSA-N 389.437 0.848 50 40 GCGB CCCc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)nnn1-c1nonc1N 1802503 QWJZMHNRTHARCE-CAOOACKPSA-N 385.344 0.857 50 40 GCGB CN(CCC#N)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c(=O)n3C)cc1 3263449 ONFGGQIWIRBFRI-HNNXBMFYSA-N 392.419 0.652 50 40 GCGB Cc1cc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)no1 408684560 NUAVOZYRLXVDMB-BOCQSXMYSA-N 399.197 1.036 50 40 GCGB CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NNC(=O)c2ccco2)cc1 9577816 UTRXOZZQNSTZAV-UHFFFAOYSA-N 395.393 0.148 50 40 GCGB Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C[C@@H](C)n2ccnc2)cc1 7738142 MGNDRRFMYMKXTG-CQSZACIVSA-N 393.469 0.611 50 40 GCGB COC(=O)CN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc3c(c2)oc(=O)n3C)C1=O 16693944 CALZFQXDTVFMPV-JYRVWZFOSA-N 396.359 0.809 50 40 GCGB COc1ccc(/C=N/N2CN([C@@H](C)C(=O)O)[C@@](O)(CCl)NC2=N)cc1OC 17142729 SVTFDPFPLQRUFM-VKEARSTLSA-N 399.835 0.495 50 40 GCGB O=C(CNS(=O)(=O)Cc1ccccc1)NCC(=O)NNc1ccccc1 1593787 LURMTVANYMBKLB-UHFFFAOYSA-N 376.438 0.366 50 40 GCGB COc1ccc(CCNC(=O)CC(=O)NN=C2CCN(C)CC2)cc1OC 6145142 DPURKQZJWPXEIG-UHFFFAOYSA-N 376.457 0.950 50 40 GCGB C/C(CC(=O)Nc1ccc(NC(=O)C/C(C)=N/NC(N)=O)cc1)=N/NC(N)=O 17211847 FLJOTYONAANWLC-CHQRTDLRSA-N 390.404 0.432 50 40 GCGB Cn1nc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2c1=O 3396129 DAKYUJUICLMCQG-HNNXBMFYSA-N 380.360 0.535 50 40 GCGB COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccncc2)c1 33667658 GSANJVOLRZHDBJ-ODLFYWEKSA-N 392.437 0.870 50 40 GCGB COC(=O)[C@H]1C[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575322879 LPVJWKBXVIGNFN-WJTVCTBASA-N 395.202 0.738 50 40 GCGB CCNC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OC)c1 6953801 WQLJAAFGHCHRMG-GIDUJCDVSA-N 391.165 0.592 50 40 GCGB O=C(Cn1nnn(-c2ccccc2Cl)c1=O)NNC(=O)c1ccc(F)cc1 31790742 XQBXAJDMQLCWQT-UHFFFAOYSA-N 390.762 0.683 50 40 GCGB N#CC1=C(N)n2c(s/c(=C/c3ccncc3)c2=O)=C(C#N)[C@H]1c1ccncc1 17729315 SWOLGLRRWYBWSV-NDCSFFLDSA-N 384.424 0.651 50 40 GCGB O=C(O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 169615991 CRKYKLQWHFYTOY-IGQDXTRWSA-N 381.020 0.849 50 40 GCGB Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1CN1CCCCC1 1879626 NPRZEIPPEOHGJW-KEBDBYFISA-N 396.415 0.377 50 40 GCGB CCCn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n[nH]c1=O 3536177 ZQAXFPFSVVSTQO-UHFFFAOYSA-N 380.386 0.443 50 40 GCGB CCOC(=O)N(C)CC(=O)NNC(=O)c1nn(CC)c(=O)c2ccccc12 32921943 SIUVDAPFQGKZLA-UHFFFAOYSA-N 375.385 0.266 50 40 GCGB NS(=O)(=O)c1cc2c(cc1Cl)N[C@H](CBr)NS2(=O)=O 39439387 CVTBWXDLAWVRNO-QMMMGPOBSA-N 390.668 0.412 50 40 GCGB in-vitro COc1cc(C(=O)NNC(=O)NCCCn2cccn2)cc(OC)c1OC 45714694 AWZKGEYRFKFLOA-UHFFFAOYSA-N 377.401 0.943 50 40 GCGB C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(=O)n(C)n1 46868038 UGQLHSVJZGIJGG-SECBINFHSA-N 395.213 0.771 50 40 GCGB C[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@H]3O[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O 102240194 JEQFXAMKNCQDHN-RDPQNJHESA-N 397.019 0.369 50 40 GCGB CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC)CC1 4995967 VXWITBLZZLTUIT-NTCAYCPXSA-N 380.452 0.798 50 40 GCGB O=C(COc1nsnc1N1CCOCC1)N/N=C/c1cccc([N+](=O)[O-])c1 16740564 FHXWJXHVHNTTIK-CXUHLZMHSA-N 392.397 0.812 50 40 GCGB CCO[Si](CCCOC(=O)[C@@H]1C[C@H](O)CN1C(C)=O)(OCC)OCC 203951953 LCTLEQOXRWKQJK-GJZGRUSLSA-N 377.510 0.950 50 40 GCGB CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)n2ccnc2)c1 40143610 KOFAUGUMOQUACX-CYBMUJFWSA-N 393.469 0.936 50 40 GCGB CCN(CC)Cc1c(C(=O)N/N=C/c2ccncc2)nnn1-c1nonc1N 2188319 OCWDXQCACNMUFD-DJKKODMXSA-N 384.404 0.233 50 40 GCGB CO[C@H]1O[C@@H](CBr)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 5712014 JEEGQLMJZGMZSR-YYHQMBLXSA-N 383.191 0.548 50 40 GCGB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)NNC(=O)c1ccccc1Cl 7939678 XHRWCQJJJUDKJS-SLGFJQRASA-N 392.795 0.842 50 40 GCGB O=C(C[C@H]1C(=O)NCCN1C(=O)CBr)OCCc1ccccc1 35605015 BXDCLQYTQKBVSX-ZDUSSCGKSA-N 383.242 0.884 50 40 GCGB COc1ccc(CC(=O)NNC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 102997065 IIKHSKYESANIDB-VBNZEHGJSA-N 385.420 0.725 50 40 GCGB O=C(CN1CCOCC1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408719857 NMANBRPTTVJYBX-KGENOOAVSA-N 388.468 0.860 50 40 GCGB CCn1nc(C(=O)NNC(=O)[C@H](C)NC(=O)c2ccco2)c2ccccc2c1=O 21896587 DMJXCMMMHFHKSW-NSHDSACASA-N 397.391 0.589 50 40 GCGB COc1ccc(C(=O)NCC(=O)NNC(=O)Cn2nc(C)cc2C)cc1OC 10021322 NSDUEKNGOFYWDJ-UHFFFAOYSA-N 389.412 0.095 50 40 GCGB O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C1\C(=O)Nc2ccccc21 6231284 ZLBVTEHLXZIBOP-HNNXBMFYSA-N 380.360 0.415 50 40 GCGB O=C1[C@H](Br)[C@@H](N2CCN(CCO)CC2)C=NN1c1ccccc1 19899311 VVGHAPIZSJMFGO-LSDHHAIUSA-N 381.274 0.761 50 40 GCGB COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3nc[nH]n3)s2)cc1 408732152 SUJNGHMTLJQVLA-REZTVBANSA-N 386.397 0.610 50 40 GCGB CC(=O)NCc1ccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 575421343 JDMNBSJUGCXWOR-STQMWFEESA-N 380.875 0.005 50 40 GCGB Cc1ccccc1C(=O)NCC(=O)OCC(=O)NNC(=O)c1ccccc1F 23078838 PHZWKSDMAIPVIC-UHFFFAOYSA-N 387.367 0.868 50 40 GCGB CCc1sc(C(=O)NNC(=O)CN2CCC(O)(C(=O)OC)CC2)cc1C 95455793 SPJSGXXAUKDNBF-UHFFFAOYSA-N 383.470 0.380 50 40 GCGB COc1ccccc1C(=O)NCC(=O)OCC(=O)NNC(=O)c1ccccc1 3450609 ZZUYPPMJDZEYTA-UHFFFAOYSA-N 385.376 0.429 50 40 GCGB COCCNC(=O)C(=O)N/N=C/c1cc(Br)c(OC)cc1OC 5526504 YJCXTFXQYJSHQA-CAOOACKPSA-N 388.218 0.679 50 40 GCGB O=S(=O)(NC[C@@H](O)CN1CCOCC1)c1ccc(CCCCl)cc1 84397984 NLOZZMKQWUYEGE-OAHLLOKOSA-N 376.906 0.829 50 40 GCGB COc1ccc(Cl)cc1C(=O)NNS(=O)(=O)C1=CCS(=O)(=O)C1 71284954 LEMJKGUZPHMGAJ-UHFFFAOYSA-N 380.831 0.225 50 40 GCGB CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1cccc([N+](=O)[O-])c1 409028819 UEAOGLAPUMYHLN-LICLKQGHSA-N 377.382 0.906 50 40 GCGB CN1/C(=C(/C#N)C(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)Sc2ccccc21 12650463 YZSMLUDJKMBGIZ-GZTJUZNOSA-N 398.400 0.626 50 40 GCGB C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(CC(N)=O)c1ccccc12 2497120 YDWHRKATPTXNSH-HXUWFJFHSA-N 394.387 0.484 50 40 GCGB Cc1noc(C)c1S(=O)(=O)NNC(=O)c1c[nH]c2ccc(F)cc2c1=O 71279747 MXFPSPYSRAIJOR-UHFFFAOYSA-N 380.357 0.895 50 40 GCGB