smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H](NC(=O)CCl)C1CCN(C(=O)C2(Oc3ccc(F)cc3)CC2)CC1 1875383902 GQPVPBUQFQJXLV-ZDUSSCGKSA-N 382.863 2.719 50 50 GFGA COc1cc(-c2n[nH]c3c2[C@@H](c2ccoc2)C(C#N)=C(N)O3)cc(OC)c1OC 5095119 AWAFLGFJOALIQZ-HNNXBMFYSA-N 394.387 2.914 50 50 GFGA CCOC(=O)C1=C(c2cc(C)nn2C)OC(N)=C(C#N)[C@@H]1c1ccc(C)cc1 2786201 LNFRCFHNPLSFNX-KRWDZBQOSA-N 378.432 2.819 50 50 GFGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 37866391 XKCWDSRFYQPSHB-IBGZPJMESA-N 388.402 2.957 50 50 GFGA O=C(NNC(=S)Nc1cccc(Br)c1)c1cn2ccccc2n1 170602038 XNKFHBNEJNHRBE-UHFFFAOYSA-N 390.266 2.728 50 50 GFGA O=C(NNC(=O)c1cncn1-c1ccccc1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 1324184830 GXBIYBJVGQZHEC-MISYRCLQSA-N 387.443 2.545 50 50 GFGA O=C(NNC(=O)c1cncn1-c1ccccc1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 1324184831 GXBIYBJVGQZHEC-YSIASYRMSA-N 387.443 2.545 50 50 GFGA CCOc1ccc(NC(=O)[C@H](Br)[C@@H](Br)C(=O)O)cc1 1739529 LEHYZLMSLRTIHZ-NXEZZACHSA-N 395.047 2.635 50 50 GFGA O=C(CCC(=O)Nc1ccccc1Cl)NNC(=S)NCc1ccccc1 2858161 PMBLLDQSNJPAOP-UHFFFAOYSA-N 390.896 2.754 50 50 GFGA Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3ccccc32)c(Br)c1 5578298 GKDOVQGBDBYAJR-UHFFFAOYSA-N 388.221 2.609 50 50 GFGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C3/C(=O)Nc4ccccc43)c2C)cc1 2944802 DKCOIJYAGYXPAE-UHFFFAOYSA-N 389.415 2.870 50 50 GFGA CCN(CC)c1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c(O)c1 730077 VYAYHQMDLCFRMW-RGVLZGJSSA-N 387.509 2.888 50 50 GFGA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C2=CC=CC=C1C2Br 105027333 ZMFZXYQHIADPFO-HOTGVXAUSA-N 396.244 2.652 50 50 GFGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 1080484 AYIJCVVBGHPNMN-IBGZPJMESA-N 396.491 2.917 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)ccc3OC)[nH]n2)cc1 5297134 MVSCHQFTPARDRV-CIAFOILYSA-N 380.404 2.866 50 50 GFGA COC(=O)[C@]12C(=O)Oc3ccc([N+](=O)[O-])cc3[C@@H]1[C@]2(C)C(=O)c1ccccc1 101107852 UKNKZORBGHIYAD-YSGRDPCXSA-N 381.340 2.660 50 50 GFGA C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)Cc1csc(N)n1 100506042 XNEYGUWRDFWZRB-FSJBWODESA-N 381.461 2.942 50 50 GFGA COc1ccc(NC(=O)CCC(=O)N/N=C/c2cc(Cl)ccc2O)cc1 2941170 DHTGXLBQMDBKEQ-RGVLZGJSSA-N 375.812 2.923 50 50 GFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1OC 1426891 LRFJWNZABOKDSH-GOSISDBHSA-N 389.411 2.774 50 50 GFGA O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccccc1O 1211722 JTJHIZGFRDKLGE-UHFFFAOYSA-N 399.628 2.648 50 50 GFGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(O)c(OC)c2)[nH]n1 5314450 FRYFCWBXAUGIDG-CIAFOILYSA-N 380.404 2.954 50 50 GFGA CN(CCCC(=O)NCCSSCCC(=O)O)C(=O)OC(C)(C)C 1875354145 BJOJOIKRTUYASS-UHFFFAOYSA-N 380.532 2.606 50 50 GFGA Cc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N\NC(=O)NN)cc1C 102300066 PCVVETYPDHPRHN-HZHRSRAPSA-N 375.473 2.556 50 50 GFGA O=C(NNC(=O)c1cncn1-c1ccccc1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 1324184832 GXBIYBJVGQZHEC-YZGWKJHDSA-N 387.443 2.545 50 50 GFGA O=C(CCl)NC[C@H](NC(=O)c1cccc2c1COCC2)C1CCCCC1 1875383816 FGHJTVQFXWNROE-SFHVURJKSA-N 378.900 2.793 50 50 GFGA C=CC(=O)N1CCC[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)C1 2325889391 NQBIFBCMFRUKPF-JTQLQIEISA-N 385.251 2.571 50 50 GFGA C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 14096305 FIHJKUPKCHIPAT-AHIGJZGOSA-N 384.425 2.602 50 50 GFGA biogenic,world O=C(CCl)N[C@H](CNS(=O)(=O)c1ccccc1Cl)c1ccccc1 1875383904 GQWQESRNKASYGQ-CQSZACIVSA-N 387.288 2.715 50 50 GFGA COc1ccc(C)cc1NC(=O)[C@@H](Br)[C@@H](Br)C(=O)O 1751385 WVBFBUAODHGFJK-VHSXEESVSA-N 395.047 2.554 50 50 GFGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1 2892394 NJHPCNSYFQJZDW-ODCIPOBUSA-N 379.294 2.523 50 50 GFGA COc1cccc(/C=N/NC(=O)c2ccccc2I)c1O 1445512 AGTMWGRORQLIOQ-RQZCQDPDSA-N 396.184 2.769 50 50 GFGA COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)c(OC)c1 5297653 RTZWBIJOLFVQPN-WSDLNYQXSA-N 376.416 2.956 50 50 GFGA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1 1234791 FBOLOMYJXDNTTI-GOSISDBHSA-N 394.456 2.833 50 50 GFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 4260243 YPEWSVPBURJFEQ-LPYMAVHISA-N 398.419 2.654 50 50 GFGA Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)C1[C@H]2CCCC[C@H]12 100316820 ILMPHLNZHCSWIC-UWVGGRQHSA-N 376.254 2.966 50 50 GFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)n[nH]2)cc1OC 5402887 BMNGEPHSHZJRRL-CIAFOILYSA-N 380.404 2.866 50 50 GFGA N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)C[C@H]1c1ccccc1F 9110919 LAJFBCSISKQZFP-NSHDSACASA-N 388.449 2.993 50 50 GFGA Cc1nc([C@@H](C)Oc2cccc(B(O)O)c2C=O)oc1-c1ccc(Cl)cc1 2325826112 PHTXUCJMYSAJHL-GFCCVEGCSA-N 385.612 2.936 50 50 GFGA COc1ccc(C(=O)N[C@@H]2CN(C(=O)CCl)C[C@H]2c2ccccc2)cc1F 1875384504 RDBGRUAOGOOEKL-DOTOQJQBSA-N 390.842 2.798 50 50 GFGA O=C(NNC(=O)c1cncn1-c1ccccc1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 1324184829 GXBIYBJVGQZHEC-DFQSSKMNSA-N 387.443 2.545 50 50 GFGA O=C(NNC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 239173955 OZLPYWOSLSDFOH-LBTBCDHLSA-N 386.448 2.516 50 50 GFGA Cc1cc(CCCC(=O)N2CCCO[C@H](CNC(=O)CCl)C2)c(C)s1 1875384211 MGDVJAXCRJFVJQ-MRXNPFEDSA-N 386.945 2.660 50 50 GFGA O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1ccc(-n2cccc2)cc1 2854575 BVAYNVMGHUGCDM-UHFFFAOYSA-N 380.429 2.837 50 50 GFGA Cc1ccc(N(CC(=O)N/N=C/c2ccco2)S(=O)(=O)c2ccccc2)cc1 2898708 RGULDAYTKBWPKZ-KGENOOAVSA-N 397.456 2.934 50 50 GFGA O=C(N/N=C/c1nc2ccccc2[nH]1)c1ccccc1I 109562260 WBEQLXJVDWYBAG-RQZCQDPDSA-N 390.184 2.931 50 50 GFGA O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1sc2ccccc2c1Cl 252452997 UVYBJWBVCIOOHJ-RBJBARPLSA-N 390.848 2.839 50 50 GFGA COc1cc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C)cc(OC)c1OC 708405 NCCNGNXWKZFXIQ-KRWDZBQOSA-N 388.420 2.746 50 50 GFGA O=C(NNc1nc(-c2ccncc2)no1)c1cc(F)c(F)cc1Br 158641995 MURIMZXJUBWBOI-UHFFFAOYSA-N 396.151 2.929 50 50 GFGA Cn1nc(-c2ccccc2)cc1C(=O)N[C@@H](CNC(=O)CCl)C(C)(C)C 1875383781 DWBAWWNLWGBQSN-INIZCTEOSA-N 376.888 2.587 50 50 GFGA O=C(CCl)NC[C@@H](NC(=O)c1ncoc1C(F)(F)F)C1CCCCC1 1875383858 FXDBLQCXDOOZNW-SNVBAGLBSA-N 381.782 2.727 50 50 GFGA Cc1c(NC(C#N)=C2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C 2582190 RQMZKEWQEMOCCJ-UHFFFAOYSA-N 384.395 2.753 50 50 GFGA CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1 2932934 ZKKJIQYWHTXKBL-GDBMZVCRSA-N 379.445 2.630 50 50 GFGA COc1ccccc1/C=N/NC(=O)CSc1nnc(C)n1-c1ccccc1 1208102 MNUOYEMFNDFWPP-UDWIEESQSA-N 381.461 2.827 50 50 GFGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)cc([N+](=O)[O-])c1O 18155005 OVETYWXAMHDRFP-ZDUSSCGKSA-N 385.380 2.764 50 50 GFGA COc1cc(NC(=O)c2cc3ncc(CCCl)cn3n2)cc(OC)c1OC 652357 BAEUBZPFIMVROM-UHFFFAOYSA-N 390.827 2.789 50 50 GFGA CNC(=S)NNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12 8205009 GSCZICMFYIEMQL-UHFFFAOYSA-N 396.472 2.658 50 50 GFGA Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)COc1ccccc1 12403591 GQTIPPGGKOVPOQ-UHFFFAOYSA-N 388.221 2.609 50 50 GFGA C[C@H](Cl)C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1875363970 GJEHYFAHVXIYQN-ZDUSSCGKSA-N 377.872 2.685 50 50 GFGA O=C(Cc1ccccc1[N+](=O)[O-])NNC(=S)Nc1ccc(F)c(Cl)c1 2853300 CHOWWDSOPARHAI-UHFFFAOYSA-N 382.804 2.948 50 50 GFGA O=C(NNC(=S)Nc1ccccc1)c1cn2cc(Br)ccc2n1 45068460 RFCYXKKOMKKQMM-UHFFFAOYSA-N 390.266 2.728 50 50 GFGA COc1ccc(C(C)(C)C(=O)NC2CC3(CC(NC(=O)CCl)C3)C2)cc1 1875383650 BKUPOFSDSSYHPL-UHFFFAOYSA-N 378.900 2.755 50 50 GFGA O=C(N/N=C/c1cccc(I)c1)c1cccc([N+](=O)[O-])c1 1228635 BCYKWINKKXGBSI-CXUHLZMHSA-N 395.156 2.963 50 50 GFGA CO[C@@](C)(C(=O)N[C@H]1CC[C@H](CNC(=O)CCl)CC1)c1ccccc1F 1875383388 RMYRMQNQEILPMT-PJIJBLCYSA-N 384.879 2.717 50 50 GFGA O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Br)cc1 2892386 FQFABPZVZJPROX-KEBDBYFISA-N 394.656 2.869 50 50 GFGA CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c1 19770679 OULVMEGHKOSXNW-LFVJCYFKSA-N 394.475 2.631 50 50 GFGA O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc([N+](=O)[O-])cc1 3092381 GTAUWTDUDBMIKJ-UHFFFAOYSA-N 384.175 2.742 50 50 GFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC)c2)cc1 4282985 PAZAGBZBVYUYCN-OEAKJJBVSA-N 383.448 2.754 50 50 GFGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1Br 2521934 WHDLLAREWWYHLA-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA C[C@@H]1CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 4708599 UGPFQMIZZRESQS-NPMABZOXSA-N 397.438 2.739 50 50 GFGA O=C(CCl)NC1(C2CCN(C(=O)[C@H]3CCCC[C@@H]3n3cccn3)CC2)CC1 1875384214 MGPZYRWWBKHDML-IRXDYDNUSA-N 392.931 2.741 50 50 GFGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@H]3c1ccc([N+](=O)[O-])cc1 22590820 USBJSNNXDZGCEN-QGZVFWFLSA-N 391.339 2.933 50 50 GFGA COC(=O)c1c(NC(=S)NNC(=O)c2cccc(C)c2)sc2c1CCC2 6860308 PASGYNNVDWCNCS-UHFFFAOYSA-N 389.502 2.963 50 50 GFGA O=C(CCl)NCC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1875377225 AXFRYIHRGDMFBS-ZDUSSCGKSA-N 379.309 2.628 50 50 GFGA C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(O)cc1O 43761095 OVVNYMHUBYEUNP-VXLYETTFSA-N 389.205 2.636 50 50 GFGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@@H]3c1cccc([N+](=O)[O-])c1 3001642 KGFPQYSVROCHBQ-KRWDZBQOSA-N 391.339 2.933 50 50 GFGA N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCOCC1)C(=O)Nc1ccccc1 1772491114 QHEQEBMKYWGZDC-FOWTUZBSSA-N 378.388 2.977 50 50 GFGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c1OC 2568399 FJVRDIFTMHZLDR-LPYMAVHISA-N 377.400 2.946 50 50 GFGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@]21C(=O)Nc2ccc(C)cc21 4742350 DLRPIJNSYPDGGN-HXUWFJFHSA-N 395.440 2.866 50 50 GFGA COc1cccc([C@@H]2[C@@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 20598213 SAKQJHJXXRWSBE-NVXWUHKLSA-N 378.457 2.860 50 50 GFGA CCC(=O)Nc1ccc(NC(=O)NNC(=O)c2ccc(O)c(Cl)c2)cc1 755913530 JGBWCXQIQRKBKZ-UHFFFAOYSA-N 376.800 2.861 50 50 GFGA Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 1116055 FWCOUCFKOQCGKK-QFIPXVFZSA-N 383.411 2.530 50 50 GFGA CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(C)=O 6402143 YIIKFDKHSUTAED-UHFFFAOYSA-N 377.491 2.853 50 50 GFGA COc1ccc(O)c(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2)c1 230141547 KKADWJLFTCHLAT-RGVLZGJSSA-N 375.812 2.923 50 50 GFGA N#Cc1cc(O)cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c1 225412345 RTCBIQSDRVMMAQ-UHFFFAOYSA-N 387.395 2.771 50 50 GFGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)Cc2ccc(OC)cc2)cc1 2868959 RPMVLVXONBGEKL-UHFFFAOYSA-N 383.448 2.828 50 50 GFGA O=C(CSc1ccccn1)N/N=C/c1ccccc1I 1226798 DGUXJUAFNFGEJV-RQZCQDPDSA-N 397.241 2.929 50 50 GFGA Cc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)c1 19834022 BJPFEGKATHHKLV-OEAKJJBVSA-N 384.911 2.916 50 50 GFGA CCCN1CCC2(CC1)[C@@H]1CN(CCC)CC=C1C(C#N)=C(N)C2(C#N)C#N 95202558 CPUBVRGONPOJJL-LJQANCHMSA-N 378.524 2.530 50 50 GFGA Cc1ccccc1O[C@H](C)C(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 6401865 PPXJVAMFDDETQU-CYBMUJFWSA-N 387.461 2.551 50 50 GFGA O=C(NNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccc1 170622881 TXYGDGUFOZFFEW-UHFFFAOYSA-N 376.294 2.830 50 50 GFGA C/C(=N/NC(=O)c1ccn(C)n1)c1cccc(NC(=O)c2ccc(F)cc2)c1 656980 IHFCMKZHTDTFAL-QRVIBDJDSA-N 379.395 2.966 50 50 GFGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2 1756012 QFICNYFKNFBJKG-IBGZPJMESA-N 386.411 2.524 50 50 GFGA Cc1cc(Br)cc(C)c1OCC(=O)NNC(=O)c1cccs1 2861607 BCEKOHHQOABXNG-UHFFFAOYSA-N 383.267 2.967 50 50 GFGA COc1ccccc1[C@H]1C[C@@H]1C(=O)N/N=c1/nc(-c2cccnc2)[nH]c(C)c1C 128238380 RIKGAEJXTONDNT-MSOLQXFVSA-N 389.459 2.833 50 50 GFGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1cccc(C)c1 4261060 UHBQKKDBUGKQSY-VXLYETTFSA-N 390.237 2.855 50 50 GFGA Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1 1255469 JDFKUPLGPOKRTM-UHFFFAOYSA-N 389.260 2.690 50 50 GFGA CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)COc1ccccc1[N+](=O)[O-] 4989999 NGASHDOELAZIJG-CQYYAIEWSA-N 383.360 2.908 50 50 GFGA C=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OCC)cc1 4355409 NQFZSDSFBPGWBZ-OEAKJJBVSA-N 381.432 2.530 50 50 GFGA COc1ccc(C)cc1NC(=S)NNC(=O)[C@H](C)Oc1ccccc1OC 2855010 RBSWYMNLPXVYPN-ZDUSSCGKSA-N 389.477 2.797 50 50 GFGA Cn1cc([C@H]2OCC[C@@H]2CN(CCc2ccccc2F)C(=O)CCl)cn1 1875384258 NFBAIDMLAUPUHA-BEFAXECRSA-N 379.863 2.947 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 1211401 NXSWXLKPEHKZLF-URMYYVDKSA-N 399.834 2.630 50 50 GFGA O=C(NNC(=S)NCc1ccc(F)cc1)c1ccc(Br)s1 2857569 YKFGYYLCRZXEEC-UHFFFAOYSA-N 388.287 2.959 50 50 GFGA CN(C)c1nc2sc(C(=O)NNc3nc(-c4ccncc4)no3)cc2s1 170830935 URXYMYVRAOGURQ-UHFFFAOYSA-N 387.450 2.626 50 50 GFGA Cc1cccc[n+]1[C@@H]1[C@H](c2ccccc2)C(C#N)=C(C(=C=N)C#N)N[C@]1(O)C1CC1 33646009 RSZNXVDRNGQRFL-JRFVFWCSSA-N 396.474 2.785 50 50 GFGA COc1cc(/C=N/NC(=O)c2cncc(Br)c2)cc(OC)c1OC 1234854 GCPIWZMDTBVWHJ-FBCYGCLPSA-N 394.225 2.634 50 50 GFGA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N/N=C/c3cccnc3)cs2)n1 1390367 DOODKGWOORLJSX-IFRROFPPSA-N 380.355 2.815 50 50 GFGA C[C@H](Cl)C(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 1875363741 WRTMDHFHOUCDHX-AWEZNQCLSA-N 376.863 2.791 50 50 GFGA C/C(=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 5020932 AIDZOSHZFXSLRY-CEABSUDRSA-N 379.338 2.761 50 50 GFGA Cc1ccccc1C(=O)NNC(=O)c1ccccc1I 723723 RVWYUGUGWXVTQY-UHFFFAOYSA-N 380.185 2.674 50 50 GFGA C/C(=N\NC(=O)c1cc(I)ccc1O)c1ccccn1 5009700 NYGFYICPYVBUOC-RQZCQDPDSA-N 381.173 2.546 50 50 GFGA Cc1cc(F)ccc1-n1ccc(C(=O)NCCSSCCC(=O)O)n1 1875388743 ORJVGOFCLITLDE-UHFFFAOYSA-N 383.470 2.906 50 50 GFGA C=CCN1C(=O)/C(=N\NC(=O)c2ccccn2)c2cc(Br)ccc21 100056978 NVKGFKJIKUVJFW-HKWRFOASSA-N 385.221 2.511 50 50 GFGA CCOc1ccccc1NC(=O)[C@@H](Br)[C@H](Br)C(=O)O 1726715 OTDODIHEKSUFBA-UWVGGRQHSA-N 395.047 2.635 50 50 GFGA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNC(=O)c1cccc([N+](=O)[O-])c1 100149335 GKDXQORFXXONGT-WQRHYEAKSA-N 393.403 2.753 50 50 GFGA Cc1nn(CC(=O)N2CCC[C@H](C)[C@H]2CCNC(=O)CCl)c(C)c1Cl 1875384240 MVAKYWHXXSZNFK-SMDDNHRTSA-N 389.327 2.526 50 50 GFGA O=C(NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccnc(O)c1 1875261547 XSHGTKFDCUWKFJ-UHFFFAOYSA-N 399.410 2.715 50 50 GFGA O=C(COc1ccc(Br)cc1)NNC(=O)c1ccccc1Cl 937127 MQKHSOPQMIKTFJ-UHFFFAOYSA-N 383.629 2.943 50 50 GFGA Cc1noc2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)N2 2745274 ZIXRJMRPHQOFQO-JOCHJYFZSA-N 383.411 2.935 50 50 GFGA O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccccc1O 253471425 RTLDECAVIVQTMK-KGENOOAVSA-N 396.424 2.924 50 50 GFGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)C2(Oc3ccc(F)cc3)CC2)CC1 1875383901 GQPVPBUQFQJXLV-CYBMUJFWSA-N 382.863 2.719 50 50 GFGA CCN(CC)S(=O)(=O)c1ccc(C(=O)NC(C#N)=C(Cl)Cl)cc1 1857799564 LCPRYIBTHWHBSK-UHFFFAOYSA-N 376.265 2.617 50 50 GFGA COC(=O)CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 13282346 ZPJYASINWCTDJC-SFHVURJKSA-N 398.440 2.751 50 50 GFGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1 2553727 HJYAHLBRLOUNHD-ZVBGSRNCSA-N 380.231 2.882 50 50 GFGA COc1ccc(NC(=S)NNC(=O)c2cccc([N+](=O)[O-])c2C)c(OC)c1 2857950 RWDSGMIAMDISKC-UHFFFAOYSA-N 390.421 2.552 50 50 GFGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 5125796 VXOMVFSXGMQPAD-RGVLZGJSSA-N 395.375 2.766 50 50 GFGA CC(C)(C)[Si](OCCOCCOCCO)(c1ccccc1)c1ccccc1 205227030 VEZDXRGMVNSJRE-UHFFFAOYSA-N 388.580 2.589 50 50 GFGA COc1cccc([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1OC 1010332 VAULAYPBXMEXSO-GOSISDBHSA-N 396.491 2.917 50 50 GFGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cccc([N+](=O)[O-])c1 4282781 ANGXTSIYWZYZQP-WSDLNYQXSA-N 376.372 2.628 50 50 GFGA O=C(CCl)NC1(CNC(=O)c2cccc3c2OCCCO3)CCCCC1 1875383891 GHEMYSWSDWNURS-UHFFFAOYSA-N 380.872 2.636 50 50 GFGA COc1ccc(O)c(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)c1 694915 MSIQPEIRXOWYLY-RGVLZGJSSA-N 397.460 2.532 50 50 GFGA O=C(N/N=C/c1ccc(O)c(I)c1)c1cccc(F)c1 1229833 XPVHCFAIXLJXGK-CAOOACKPSA-N 384.148 2.900 50 50 GFGA Cn1cc([C@@H]2OCC[C@H]2CN(CCc2ccccc2F)C(=O)CCl)cn1 1875384260 NFBAIDMLAUPUHA-HNAYVOBHSA-N 379.863 2.947 50 50 GFGA O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21 772632750 XVZOESCOAGMRRO-VAMGGRTRSA-N 387.443 2.545 50 50 GFGA COc1cc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc(OC)c1O 6187467 JMTWGZLMRWZJQD-SSDVNMTOSA-N 392.415 2.662 50 50 GFGA COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O 675785 OYWYMBGFPYCRJM-ODCIPOBUSA-N 396.230 2.630 50 50 GFGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl 2379939 DRGZTLCGXHPQGH-FBCYGCLPSA-N 380.187 2.811 50 50 GFGA COC(=O)[C@]12C(=O)Oc3ccc([N+](=O)[O-])cc3[C@@H]1[C@@]2(C)C(=O)c1ccccc1 101107854 UKNKZORBGHIYAD-XPGWFJOJSA-N 381.340 2.660 50 50 GFGA O=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 5297313 ZHJFXEIOUCJNPD-UFFVCSGVSA-N 398.806 2.957 50 50 GFGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1[N+](=O)[O-] 2553795 MGDXLNPLERVWHX-DNTJNYDQSA-N 395.202 2.782 50 50 GFGA O=C(O)CCSSCCNC(=O)CCn1cnc2cc(F)c(F)cc21 1875389073 ARWCEIPTCLUGQC-UHFFFAOYSA-N 389.449 2.677 50 50 GFGA COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 13372242 WHNGLPGBESWKQE-GDNBJRDFSA-N 396.399 2.801 50 50 GFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1OC 1426890 LRFJWNZABOKDSH-SFHVURJKSA-N 389.411 2.774 50 50 GFGA O=C(NNC(=O)N1CCCO[C@@H]2CCC[C@H]21)c1ccc(COc2ccccc2)o1 365342414 IDLWJYZQXYOLEJ-QZTJIDSGSA-N 399.447 2.856 50 50 GFGA Cc1cc(Br)cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1O 1218305 DSSUCSQCZHQPHY-CNHKJKLMSA-N 377.194 2.956 50 50 GFGA Cc1ccccc1NC(=S)NNC(=O)[C@H](C)Cn1cc(Br)cn1 2795575 MNJOQKPDILIKQA-LLVKDONJSA-N 396.314 2.608 50 50 GFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1 2566434 YBMYDNUKGRDFCS-GIJQJNRQSA-N 376.210 2.552 50 50 GFGA COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)c1O 35338668 OHSUHRNXRVKYHC-KEBDBYFISA-N 388.424 2.911 50 50 GFGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1 2571779 POCMXNCUILARQQ-YBFXNURJSA-N 390.237 2.937 50 50 GFGA CCn1c(SCC(=O)N/N=C(\C)c2ccncc2)nnc1-c1ccccc1 4899046 BTQKTXBRMPSUOJ-KGENOOAVSA-N 380.477 2.993 50 50 GFGA C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 2852489 QFWRGIVQWZWJCH-LBPRGKRZSA-N 384.392 2.704 50 50 GFGA COC(=O)C(C(=O)OC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101016162 YOQTXQUYFISEED-UHFFFAOYSA-N 393.399 2.695 50 50 GFGA Cc1ccccc1/C=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1 96307078 IYINSLSNRCAZOW-OEAKJJBVSA-N 384.911 2.916 50 50 GFGA O=C(CNc1cccc([N+](=O)[O-])c1)NNC(=S)Nc1ccccc1Cl 1085084 UIDIGHRJTFKAOP-UHFFFAOYSA-N 379.829 2.678 50 50 GFGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@H]3c1ccc2c(c1)OCO2 164762301 HXEVOUCKGPICGS-GOSISDBHSA-N 390.351 2.754 50 50 GFGA CCOc1ccc(NC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1 239203207 RYLVDSDJJUYXRX-JNWWKETESA-N 380.238 2.595 50 50 GFGA COc1ccc(C(=O)NCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1 2544102 LYOXPYTXVRMIGD-ZVBGSRNCSA-N 380.231 2.882 50 50 GFGA CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NCCSSCCC(=O)O)C1(C)C 1875388843 SHGREILXDBNVFT-VXGBXAGGSA-N 392.543 2.508 50 50 GFGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1cccnc1 6317134 DBNBYOPVTHGJJS-AXLKIAQESA-N 375.064 2.818 50 50 GFGA CCCOc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 32573604 PYLYPPNSOXKPDO-JMIUGGIZSA-N 397.391 2.985 50 50 GFGA CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1 4102604 ZKKJIQYWHTXKBL-HOCLYGCPSA-N 379.445 2.630 50 50 GFGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 4261172 NRCGWOYSOSSDGZ-QGMBQPNBSA-N 381.175 2.990 50 50 GFGA COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)c1 2553767 WGYGQWLOOGLVAL-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA C[C@@H](Cl)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1875364472 NAJNLUJOSHPQMJ-GFCCVEGCSA-N 384.860 2.548 50 50 GFGA CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@]12C(=O)Nc1ccccc12 4502648 ZWDDNKYKEGICIU-QFIPXVFZSA-N 387.395 2.575 50 50 GFGA O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc(Br)c1 2892214 XZOIDCMVLDXJCA-KEBDBYFISA-N 394.656 2.869 50 50 GFGA Cc1ccc2sc(C(=O)N3CCCO[C@@H](CNC(=O)CCl)C3)cc2c1 1875384927 YPVQWVYWBGXMOF-AWEZNQCLSA-N 380.897 2.796 50 50 GFGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)C1 239248139 YDGQPLKUDJGWBS-RYQLBKOJSA-N 388.464 2.665 50 50 GFGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)csc2C1 239119539 IUKBUXKYOYNLOF-QTLOGOPTSA-N 388.489 2.547 50 50 GFGA O=C(NNC(=S)Nc1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 2855851 HXIPVZLGCGDSHM-UHFFFAOYSA-N 395.238 2.989 50 50 GFGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)cc1 2892190 HWEHCXOFPQHWDS-YBFXNURJSA-N 390.237 2.937 50 50 GFGA O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 1226715 XXYXLMBKLBNHHN-MRUVXERFSA-N 392.371 2.676 50 50 GFGA O=S(=O)(c1ccccc1)N1[C@H]2C[C@H](Br)[C@@H](Br)C[C@H]21 101137697 TYHHJXOKLCZNPC-VQHIRFFYSA-N 395.116 2.749 50 50 GFGA COc1cccc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)c1O 1207431 NGJVUPOXOQYZIU-RGVLZGJSSA-N 397.460 2.532 50 50 GFGA Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCl 1875383400 SEWGMWMCGHFJOB-CRAIPNDOSA-N 387.867 2.686 50 50 GFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c(OC)c1OC 4168304 ZXYDDGKOMXBGNR-CYBMUJFWSA-N 384.436 2.951 50 50 GFGA CC1=C(C)C[C@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)[C@@H](C(=O)O)C1 2794836 YDGQPLKUDJGWBS-NJAFHUGGSA-N 388.464 2.665 50 50 GFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccccc1Cl 2553084 KJOOMTBOCKZASH-QGMBQPNBSA-N 381.175 2.990 50 50 GFGA COc1cccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c1O 12362622 LPAURGJYQBNJAO-VCYKRWNGSA-N 378.384 2.844 50 50 GFGA O=C(Cc1noc2ccc(F)cc12)NC[C@@H](NC(=O)CCl)c1ccccc1 1875384916 YLUFLSCFAMZWNS-MRXNPFEDSA-N 389.814 2.722 50 50 GFGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@H]1c1cccnc1)S(=O)(=O)CC2 1429923 GFSVYASYPYOPFB-KRWDZBQOSA-N 382.420 2.548 50 50 GFGA COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)c1 4079672 LBGJFNJUTPGLMJ-ZMOGYAJESA-N 391.427 2.737 50 50 GFGA COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(N)=O)cc1[N+](=O)[O-] 12731221 PSMNJSPFIFYKLS-ZROIWOOFSA-N 389.371 2.848 50 50 GFGA CCN(CC)S(=O)(=O)c1csc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1 1138686 WBSZQWFEUOHBCL-UHFFFAOYSA-N 384.435 2.906 50 50 GFGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc(OC)c1OC 6691012 NOVGDXHVCAGIHE-AWEZNQCLSA-N 384.436 2.951 50 50 GFGA CCOc1cc(/C=N/NC(=O)c2cnccn2)ccc1OC(=O)c1ccccc1 2530524 WJUQPTSWOIDHFW-ZMOGYAJESA-N 390.399 2.858 50 50 GFGA COC(=O)c1ccccc1NC(=O)NNC(=O)c1cc2ccccc2cc1O 2851866 HDKLDOLLVXLNIZ-UHFFFAOYSA-N 379.372 2.799 50 50 GFGA CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(OC)cc1 864044 OJEQSOCGZBQZAP-YBFXNURJSA-N 385.449 2.809 50 50 GFGA Cc1ccc(/C=N/NC(=O)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 4828684 YQYDGPDHTWJAHU-AWQFTUOYSA-N 389.799 2.828 50 50 GFGA O=C(NNS(=O)(=O)c1csnc1-c1ccccc1)NC1CCCCC1 864097591 XUCQZKUOKQUZBJ-UHFFFAOYSA-N 380.495 2.635 50 50 GFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N2CCCc3cccc1c32 2428144 BWJPNWHWJVDDSU-QFIPXVFZSA-N 375.428 2.584 50 50 GFGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O 36075127 LAJGUSLJKLHMGU-OAHLLOKOSA-N 385.376 2.760 50 50 GFGA COc1ccccc1/C=C/C=N/NC(=O)CN1CCN(Cc2ccccc2)CC1 20171835 HPVWFYVLNFZIPA-ZHBAQDKBSA-N 392.503 2.628 50 50 GFGA CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNC(=O)c1ccccc1[N+](=O)[O-] 100501428 KSSLVNHMQVGJME-BOPFTXTBSA-N 393.403 2.753 50 50 GFGA COC(=O)CC1=C(C(=O)OC)[C@H](c2cccc(C(F)(F)F)c2)C(C#N)=C(N)O1 1386749 WJFTYKCHNGRASU-CQSZACIVSA-N 396.321 2.503 50 50 GFGA O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N/N=C/c1ccccc1Cl 2172411 RZLQFJBZRXPILT-DJKKODMXSA-N 375.772 2.520 50 50 GFGA COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)cc1 4335759 GXLZGEONSYITOF-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)c1 5130514 BCZZPQVRLDIRNK-MRXNPFEDSA-N 375.388 2.707 50 50 GFGA CC(C)(C)OC(=O)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 5901494 NZBXTHDOMKXOSA-CQSZACIVSA-N 379.457 2.678 50 50 GFGA Cc1ccc(C(=O)NCC(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)cc1 2532057 QCEFSUAEEJRZIQ-NUGSKGIGSA-N 397.818 2.635 50 50 GFGA COc1cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C)cc(OC)c1OC 708406 NCCNGNXWKZFXIQ-QGZVFWFLSA-N 388.420 2.746 50 50 GFGA COc1ccc(NC(=S)NNC(=O)c2ccc(OC(F)F)c(OC)c2)cc1 655661 JQZDGWYVFNLXTP-UHFFFAOYSA-N 397.403 2.937 50 50 GFGA COc1cc(Br)c(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC 853965 DSLGSDKMKZYOSM-XEVNVYFWSA-N 395.253 2.668 50 50 GFGA Cc1cc2c(cc1C)[C@H](C(=O)N1CCC(CCNC(=O)CCl)CC1)CO2 1875384551 SMADMPSWZNICKA-QGZVFWFLSA-N 378.900 2.763 50 50 GFGA COc1cc(/C=C(\C#N)C(=O)NCCc2cnn(-c3ccccc3)c2)ccc1O 222247389 OJBBOCZKERBURF-WOJGMQOQSA-N 388.427 2.852 50 50 GFGA COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)OC)C(O)=N1 8994715 HKHMZZJBLLCJJL-ZIAGYGMSSA-N 394.836 2.824 50 50 GFGA CC1=NNC(=O)[C@H]1CCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 102298641 MPVAOKBGUKGGHS-MEGCXXLRSA-N 378.432 2.618 50 50 GFGA COC(=O)[C@@](O)([C@@H](Cl)C(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2770083 KMOFUONVJMUAIX-KWQFWETISA-N 393.667 2.718 50 50 GFGA CCOc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc(Cl)c1O 1226611 GELNCYIAVWIUJC-UGNSCYDZSA-N 376.796 2.734 50 50 GFGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)c(OC)c1 1193114 LERVOYDUTMOXRZ-RGVLZGJSSA-N 384.461 2.833 50 50 GFGA COc1ccccc1[C@@H](CNC(=O)[C@H]1Cc2ccc(F)cc21)NC(=O)CCl 1875383957 HSTZQEJYVDDEBC-DLBZAZTESA-N 390.842 2.687 50 50 GFGA Cn1c(=O)[nH]c(=O)c2c1nc(SCCCCCl)n2CCc1ccccc1 2059601 VAPLSLMMCSGCSD-UHFFFAOYSA-N 392.912 2.777 50 50 GFGA O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)[C@@H]3COc4ccccc4O3)o2)c1 1226733 UQXXCSADSBHOBJ-QKXOWGBTSA-N 392.367 2.935 50 50 GFGA N#C/C(=C\c1c(Br)n[nH]c1Br)C(=O)NC1CCCC1 864097552 WDWQKKRJPCLRTP-FNORWQNLSA-N 388.063 2.900 50 50 GFGA C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1cccc(-n2cnnn2)c1 25762411 FZOAHQGVWUXAMC-UDWIEESQSA-N 386.868 2.948 50 50 GFGA N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)C[C@H]1c1cccs1 8973465 SIRXBAZURPNBER-SECBINFHSA-N 376.488 2.915 50 50 GFGA C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)NNC(=S)NCc1ccco1 2857463 LSRIAYMVYUUZFS-SNVBAGLBSA-N 387.383 2.761 50 50 GFGA Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cn(C)nc2-c2ccoc2)c1C 225719653 ZZAKCQRZAKADQK-CQSZACIVSA-N 382.420 2.525 50 50 GFGA COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1O 755733 RBHGNWPKQZPIFK-CQSZACIVSA-N 391.221 2.978 50 50 GFGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)c1 5125794 MYZNRANBRNHKSS-LPYMAVHISA-N 393.447 2.924 50 50 GFGA COc1ccccc1NC(=S)NNC(=O)C1CCN(Cc2ccccc2)CC1 4053560 AQJYZQNFEDANDC-UHFFFAOYSA-N 398.532 2.925 50 50 GFGA COc1ccc([C@@H]2C(C#N)=C(SCC(N)=O)NC3=C2C(=O)CC(C)(C)C3)cc1 4977824 VPFZFMPUNIEESX-GOSISDBHSA-N 397.500 2.979 50 50 GFGA COc1cc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc(OC)c1OC 8565907 IPZFGOVNRZIXII-VXLYETTFSA-N 386.433 2.928 50 50 GFGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/C=C/c1ccco1 96901370 FAIPPBJHVWAHBS-HGQWUQBZSA-N 386.883 2.866 50 50 GFGA N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1ccc(S(N)(=O)=O)cc1 7165663 YJEWBABWBNMFHI-FMIVXFBMSA-N 395.362 2.898 50 50 GFGA COC(=O)Cc1[nH]nc2c1[C@H](c1ccc(OC3CCCC3)cc1)C(C#N)=C(N)O2 1427727 VRONLMMNZOMAFL-GOSISDBHSA-N 394.431 2.665 50 50 GFGA CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1 832297 BVERHMORJZRJRE-UHFFFAOYSA-N 378.406 2.845 50 50 GFGA O=C(CC(=O)N/N=C\c1ccc2c(c1)CCC2)NN=Cc1ccc2c(c1)CCC2 1501045954 JIZLYCTYDDBFHB-UARZBZHOSA-N 388.471 2.655 50 50 GFGA COc1cc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2C)ccc1O 13638964 MMGDPFWGFVWVIB-CIAFOILYSA-N 384.461 2.920 50 50 GFGA C=CCNC(=S)NNC(=O)COc1ccc2cc(Br)ccc2c1 2854969 NYEXQTFCVPYYHX-UHFFFAOYSA-N 394.294 2.662 50 50 GFGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c1 2571778 AHLITAQRZFAXKP-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC(C)(CNC(=O)CCl)CC1)C2 1875384782 XFPVFZITBZUTSE-MRXNPFEDSA-N 380.941 2.996 50 50 GFGA N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(OC(F)(F)[C@@H](F)Cl)cc2)S1 4181952 AULUZGPHYOACPG-LDYMZIIASA-N 381.763 2.688 50 50 GFGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1OC(C)=O 13282369 MYEKSLXJBKGJHL-CIAFOILYSA-N 378.388 2.775 50 50 GFGA O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl 2568468 VMYYEMBRAKDDNG-FBCYGCLPSA-N 380.187 2.811 50 50 GFGA CCOc1cc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1O 8837246 LSRREYJILIERCL-RGVLZGJSSA-N 395.375 2.853 50 50 GFGA O=C(CCl)NCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 1875377222 AXFRYIHRGDMFBS-CYBMUJFWSA-N 379.309 2.628 50 50 GFGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 37866399 XKCWDSRFYQPSHB-LJQANCHMSA-N 388.402 2.957 50 50 GFGA Cc1ccc(OCC(=O)NNC(=O)c2ccccc2C)c(Br)c1 1230001 SHUACAYWPXRXRI-UHFFFAOYSA-N 377.238 2.906 50 50 GFGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4c(F)cccc4F)[C@@H]3[C@H]1CC2 252441173 JBPGDEKLKIFDTA-RYPBUSNOSA-N 377.398 2.851 50 50 GFGA Cc1ccc(C(C)C)c(OCC(=O)N/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c1 7422859 XNQQZDFINSUMIE-UHFFFAOYSA-N 396.403 2.878 50 50 GFGA CC(C)[C@H]1OCC[C@@H]1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1 225493401 HBYZRLGSDQOGQC-SIKLNZKXSA-N 396.487 2.865 50 50 GFGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 33488995 BMWYYDRXLYNYSD-HAVVHWLPSA-N 384.911 2.998 50 50 GFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 4209862 CNZMKSOCPBNDPU-SRZZPIQSSA-N 382.445 2.596 50 50 GFGA CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NN)cc1 12411697 LANOXLAHQVSORQ-AQTBWJFISA-N 386.883 2.947 50 50 GFGA COc1ccc(OCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 1750126 BMOUEQGUHKGUEK-UHFFFAOYSA-N 392.839 2.571 50 50 GFGA CC(=O)Nc1ccc(/C=C(/C#N)C(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1 1189870 CXJAHKAJBSCQMY-WJBQSONESA-N 389.415 2.661 50 50 GFGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4259837 JVVPHKABOGESGR-VXLYETTFSA-N 390.783 2.736 50 50 GFGA O=C(CSCc1ccccc1)NNC(=S)Nc1cccc([N+](=O)[O-])c1 6392860 OEHCNRHLBPUNPD-UHFFFAOYSA-N 376.463 2.846 50 50 GFGA C[C@H]1CCc2c(C(=O)NCC3(NC(=O)CCl)CCOCC3)csc2C1 1875384434 OYTBJXPOJKAREG-LBPRGKRZSA-N 384.929 2.507 50 50 GFGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)c1 4347380 YPKQBBPTFCBEOL-UFWORHAWSA-N 382.203 2.796 50 50 GFGA CC(C)c1nnsc1C(=O)NCc1ccc(CNC(=O)CCl)cc1F 1875384429 OXSQYVFRRKKSIK-UHFFFAOYSA-N 384.864 2.586 50 50 GFGA O=C(CCl)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)c1ccc2nsnc2c1 1875384571 SZGYLVIPXVMJTE-YHWZYXNKSA-N 378.885 2.572 50 50 GFGA COc1cccc(C2(C(=O)N3CCC(CCNC(=O)CCl)CC3)CC2)c1 1875384523 RVCFWNLBVBEGFM-UHFFFAOYSA-N 378.900 2.711 50 50 GFGA Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CN1CCOCC1 19931970 NFTNFNRPSMKDRJ-GOSISDBHSA-N 385.489 2.704 50 50 GFGA O=C(CCl)NCC[C@@H]1CCCCN1C(=O)Cc1ccc2ncsc2c1 1875383642 BFVZSFNERUBJIC-AWEZNQCLSA-N 379.913 2.965 50 50 GFGA N#C/C(=C\Nc1ccc(Oc2ccccc2)cc1)C(=O)NCCN1CCOCC1 2325885914 JMBXAPCLYVFKSY-ISLYRVAYSA-N 392.459 2.747 50 50 GFGA Cc1nc2ccccc2cc1C(=O)N/N=C1\C(=O)N(C)c2ccc([N+](=O)[O-])cc21 4963317 STKSUJOLXINANI-PYCFMQQDSA-N 389.371 2.562 50 50 GFGA Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CN1CCOCC1 19931967 NFTNFNRPSMKDRJ-SFHVURJKSA-N 385.489 2.704 50 50 GFGA COc1ccc([C@H]2C(C#N)=C(N)N(c3ncn[nH]3)C3=C2C(=O)CC(C)(C)C3)cc1 8559527 ITNDWUDGRLTHGN-KRWDZBQOSA-N 390.447 2.754 50 50 GFGA COc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(Br)cc2)c1O 4989677 DYRFPRJCRBTOIA-IUXPMGMMSA-N 394.181 2.835 50 50 GFGA O[C@@]12[C@H](Br)[C@H]3[C@H]4C[C@H]5[C@H]3[C@H]1C(Br)(Br)[C@H]5[C@@H]42 245227865 WZBOKYFPZUQGLI-QULHQPCFSA-N 398.920 2.739 50 50 GFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1OC 4283060 QJAAYOZQNNLFBW-KEBDBYFISA-N 375.812 2.754 50 50 GFGA Cc1cc2c(c(=O)o1)[C@@H](c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2 1068171 RMXUALAAIXTJIT-KRWDZBQOSA-N 390.351 2.979 50 50 GFGA O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1cccc(O)c1 5749985 LEYIYXAVGYNCDC-UHFFFAOYSA-N 399.628 2.648 50 50 GFGA O=C(O)CCSSCCNC(=O)[C@@H]1Cc2cccc(OC(F)F)c2O1 1875388923 VSVXWEQYWIKFRY-NSHDSACASA-N 393.433 2.564 50 50 GFGA Cc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1384065 ZTPFORIYWBNKCS-RCCKNPSSSA-N 385.489 2.546 50 50 GFGA CC(C)(c1ccc(OC[C@H](O)CO)cc1)c1ccc(OC[C@@H](O)CCl)cc1 6693085 HDTYUHNZRYZEEB-ZWKOTPCHSA-N 394.895 2.723 50 50 GFGA biogenic,in-vivo COc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)c1OC 6420410 PYUFDSVFKRXQOS-WSDLNYQXSA-N 376.416 2.956 50 50 GFGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(I)o1 4467710 ILVWAKHSLCRZNC-IUXPMGMMSA-N 383.189 2.755 50 50 GFGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1cccs1 19369536 NBLWXTWMIFLPCA-UDWIEESQSA-N 376.913 2.669 50 50 GFGA O=C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N/N=C/c1ccc(F)cc1 4828670 AVFCHWCGFGHFAU-DNTJNYDQSA-N 393.762 2.659 50 50 GFGA CC(C)(C)c1nc(-c2ccc(NC(=O)NNC(=O)Cc3cccnc3)cc2)no1 1875259795 NJQDFYPPFMQJMP-UHFFFAOYSA-N 394.435 2.825 50 50 GFGA COc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1O 710818 ZSDVMQJURUVTIK-GIJQJNRQSA-N 379.210 2.692 50 50 GFGA Cn1cc(Br)c(C(=O)N/N=C/c2cccc(Br)c2)n1 1086987 WHJGNTPRBMAKTB-GIDUJCDVSA-N 386.047 2.709 50 50 GFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 2571805 UFFSIFYAXOCGIZ-QGMBQPNBSA-N 381.175 2.990 50 50 GFGA CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCl)[C@@H](c2ccccc2)C1 225514504 QIKFZJHYYFNTOQ-QGZVFWFLSA-N 391.880 2.975 50 50 GFGA CC(C)(c1ccc(OC[C@H](O)CCl)cc1)c1ccc(OC[C@H](O)CO)cc1 2583585 HDTYUHNZRYZEEB-QZTJIDSGSA-N 394.895 2.723 50 50 GFGA biogenic,in-vivo COC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1 13282347 ZPJYASINWCTDJC-GOSISDBHSA-N 398.440 2.751 50 50 GFGA COc1cc(/C=N/NC(=O)c2cnccn2)ccc1OC(=O)c1ccc(C)cc1 2597736 KLFGSXKJSSKRSE-WYMPLXKRSA-N 390.399 2.777 50 50 GFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OCC(=O)O)[nH]n2)cc1 945724 ASEBSYOASNFPII-SRZZPIQSSA-N 378.388 2.612 50 50 GFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)cc1 5295979 YGWZBHXPBKCEGL-CIAFOILYSA-N 380.404 2.866 50 50 GFGA COc1ccc(/C(C)=N\NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 12342881 VNCLAZHYTUZDQK-ZDLGFXPLSA-N 388.336 2.674 50 50 GFGA C/C(=N\NC(=O)c1c(Cl)cnn1C)c1ccc(NC(=O)c2ccncc2)cc1 1000032 CRWYHRQXZLYCLU-WYMPLXKRSA-N 396.838 2.875 50 50 GFGA O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1 4261318 VYAUFGHEVXFAAY-GIJQJNRQSA-N 377.194 2.676 50 50 GFGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cccc(Br)c1 1922074 LKVUQPXDVXWWCZ-AWQFTUOYSA-N 394.656 2.983 50 50 GFGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])cc1 4230069 NPTJAARHYSZKKG-WSDLNYQXSA-N 376.372 2.628 50 50 GFGA O=C(N/N=C/c1cccs1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4230135 BSQQZNUSRAQNRW-FYJGNVAPSA-N 398.488 2.899 50 50 GFGA O=C(NNC(=O)N1CCCO[C@@H]2CCC[C@@H]21)c1ccc(COc2ccccc2)o1 365342418 IDLWJYZQXYOLEJ-ZWKOTPCHSA-N 399.447 2.856 50 50 GFGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccncc1 5094743 RTBYLQGPQDKZLH-FNQVVVRFSA-N 375.064 2.818 50 50 GFGA O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1 5514683 IDMAJPJOLBLADK-GIJQJNRQSA-N 377.194 2.676 50 50 GFGA COc1ccc(/C=C(\C#N)C(=O)NCc2cccs2)cc1CN1CCOCC1 17081309 ZIZSWWVGTWJZPW-GZTJUZNOSA-N 397.500 2.812 50 50 GFGA CC1=CC(C)(C)N2C(=O)[C@@]3(C(C#N)=C(N)Oc4[nH]nc(C)c43)c3cc(C)cc1c32 5490460 DGYDNNYNUKQILA-JOCHJYFZSA-N 387.443 2.941 50 50 GFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 5319180 MZGGZCIIMIXDPV-VCHYOVAHSA-N 380.320 2.657 50 50 GFGA CCc1cc2c(c(C(=O)N[C@@H]3Cc4ccccc4[C@H]3NC(=O)CCl)c1)OCC2 1875383344 PXMACDWTTYUKGD-UYAOXDASSA-N 398.890 2.935 50 50 GFGA COC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)OC)C(O)=N1 8994714 HKHMZZJBLLCJJL-UONOGXRCSA-N 394.836 2.824 50 50 GFGA COc1cccc(O[C@H](C)C(=O)NNC(=S)Nc2ccc(F)cc2F)c1 1121825 JRPLVGCVNCZVBT-SNVBAGLBSA-N 381.404 2.759 50 50 GFGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cc2ccccc2[nH]c1=O 9709629 GOCGFCLIDUZDKU-UFFVCSGVSA-N 382.807 2.579 50 50 GFGA C[C@H]1CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 4708597 UGPFQMIZZRESQS-ZLOXQWCVSA-N 397.438 2.739 50 50 GFGA CC(C)[C@H](CCN(C)C(=O)c1cc2nccnc2cc1F)NC(=O)CCl 1875383592 ALFCNGJROMWXNE-AWEZNQCLSA-N 380.851 2.611 50 50 GFGA COc1cc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)ccc1OC(C)=O 2453792 IBZJOVJLEKFCJU-VXLYETTFSA-N 384.417 2.836 50 50 GFGA COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1CN1CCOCC1 20258529 XKPIDESDLGUGMN-XSFVSMFZSA-N 398.484 2.866 50 50 GFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c(OC)c1 1426889 BSFLQOKDUFIPTP-GOSISDBHSA-N 389.411 2.774 50 50 GFGA CCc1ccccc1NC(=S)NNC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C 2795517 HWLXCCVWWDVGTK-LBPRGKRZSA-N 390.469 2.549 50 50 GFGA COc1ccc(/C(C)=N\NC(=O)c2cncc(Br)c2)cc1[N+](=O)[O-] 12342883 XHDVOZKYTABPLG-NVMNQCDNSA-N 393.197 2.915 50 50 GFGA COc1ccc(N2C(=O)C[C@@H](N(C(=O)CCl)C3CCCCC3)C2=O)cc1 217040202 IHPYOZRLIWJNMT-MRXNPFEDSA-N 378.856 2.727 50 50 GFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1I 1435859 PHQGUSILUDAGIB-CXUHLZMHSA-N 395.156 2.963 50 50 GFGA CCOc1ccc(NC(=O)[C@H](Br)[C@H](Br)C(=O)O)cc1 1739525 LEHYZLMSLRTIHZ-ZJUUUORDSA-N 395.047 2.635 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1 8617760 WKWILJCKIDOVPR-RGVLZGJSSA-N 382.445 2.602 50 50 GFGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3cccnc3)cc2)cc1 4231894 ANXCTOQXMOZDHB-HYARGMPZSA-N 394.456 2.955 50 50 GFGA Cc1cccc(-c2nc(C)c(C(=O)NNc3nc(-c4ccncc4)no3)[nH]2)c1 756965890 URYQVMFDHTWULZ-UHFFFAOYSA-N 375.392 2.895 50 50 GFGA O=C(CCl)NCc1ccc(CNC(=O)C23C[C@@H]4CC(C[C@H](C4)C2)O3)cc1 1875384925 YOTLKFHHAGQCTB-ZRDSACAASA-N 376.884 2.506 50 50 GFGA O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)[C@@H]1COc2ccccc2O1 221965375 SZBZUPSAYDMZLY-HEHKJECRSA-N 390.867 2.552 50 50 GFGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c1OC 8574826 UUQHMEDWRBZNEL-MRXNPFEDSA-N 375.384 2.763 50 50 GFGA O=C(Cc1c(F)cccc1Cl)NNC(=S)Nc1cccc([N+](=O)[O-])c1 6402388 YFWNMEMEPCICBP-UHFFFAOYSA-N 382.804 2.948 50 50 GFGA COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NCc2ccncc2)cc1OC 17079461 FLDRKEVFUXYIOI-CXUHLZMHSA-N 389.415 2.712 50 50 GFGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(OC)c3)[nH]n2)c1 946220 QALXYLALELZEGU-CIAFOILYSA-N 380.404 2.954 50 50 GFGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)COc2ccccc2OC)cc1 5050628 HMXRMKLXFXSPOS-UHFFFAOYSA-N 399.447 2.664 50 50 GFGA CC(C)(C)OC(=O)N[C@H](C(=O)NCCSSCCC(=O)O)C(C)(C)C 1875354672 LAGDZBXNTRFKOJ-GFCCVEGCSA-N 394.559 2.898 50 50 GFGA O=C(O)COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 4230022 XANLZQXRQKXPKO-DNTJNYDQSA-N 397.214 2.986 50 50 GFGA C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1[N+](=O)[O-] 12343244 PZHOXIYKGSMFEG-YBFXNURJSA-N 385.336 2.638 50 50 GFGA O=C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N/N=C/Cc1ccccc1 4828686 XAEGXIMMEDBVSD-AWQFTUOYSA-N 389.799 2.714 50 50 GFGA Cc1cc(C(F)(F)F)n(-c2nc(-c3ccccc3)c(CC(=O)NN)s2)n1 1384269 FODGXENEXLSOCB-UHFFFAOYSA-N 381.383 2.855 50 50 GFGA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/[C@@H]3CC=CCC3)CC2)cc1 6275431 PZPVIIZLHMWVOJ-WNSCPLKPSA-N 389.521 2.854 50 50 GFGA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NNC(=O)c1csc(C)c1C)[C@@H]2C(=O)O 225583656 WCKKBTDCLNSGBU-CZPYZCIJSA-N 376.478 2.819 50 50 GFGA CCO[Si](c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC 169816159 BAVJARULELCAKU-UHFFFAOYSA-N 394.543 2.716 50 50 GFGA O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1ccc([N+](=O)[O-])cc1 15636594 IYRHPNJVRKJWCW-IDUWFGFVSA-N 392.165 2.850 50 50 GFGA O=C(CNC(=O)C1CCCCC1)NNC(=O)c1ccc(-c2ccccc2)cc1 2871679 YMTOLVBSLXDBIQ-UHFFFAOYSA-N 379.460 2.811 50 50 GFGA CC(C)c1ccc(CCC(=O)N2CCO[C@@H]([C@@H](C)NC(=O)CCl)C2)cc1 1875383742 DMHZQACNFBYMSE-CRAIPNDOSA-N 380.916 2.714 50 50 GFGA COc1ccccc1C(=O)N/N=C1\C(=O)N(C)c2ccc(Br)cc21 7058590 LYDFGGPVFMKRBZ-CYVLTUHYSA-N 388.221 2.568 50 50 GFGA C[C@@H]1CCCN(C(=O)c2onc3c2CCCC3)[C@H]1CCCNC(=O)CCl 1875384762 WPFRIEIUNAYSQC-CJNGLKHVSA-N 381.904 2.929 50 50 GFGA CCOc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1 239203208 RYLVDSDJJUYXRX-MBIARJLFSA-N 380.238 2.595 50 50 GFGA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccncc3)cc2)cc1 5344787 RQBQCJXTHOOHBH-HYARGMPZSA-N 394.456 2.955 50 50 GFGA N#CCC(=O)NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 2166045 DRIFGVFIFAJEAM-UHFFFAOYSA-N 384.990 2.673 50 50 GFGA COc1ccc(OC)c(/C=N/NC(=O)c2[nH]nc3c2CCc2ccccc2-3)c1 8683116 XFNFDTJYMBUVFN-WSDLNYQXSA-N 376.416 2.956 50 50 GFGA C/C(=N/NC(=O)c1cncc(Br)c1)c1ccc2c(c1)OCCO2 4017800 GSTOYLRPNJRGBP-GRSHGNNSSA-N 376.210 2.769 50 50 GFGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(OCCC)cc2)c1 4355269 HKEQAHTUKLLLMT-BUVRLJJBSA-N 395.459 2.920 50 50 GFGA NNC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 1069048 XHNUNZIVMUYEIF-ONGXEEELSA-N 393.291 2.921 50 50 GFGA O=C(CCl)NCC1(NC(=O)[C@@H]2COc3ccc(F)cc3C2)CCCCC1 1875384511 RJFWMEWAPPOPQA-AWEZNQCLSA-N 382.863 2.551 50 50 GFGA CN(C)N1C(N)=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C1CC(C)(C)CC2=O 1080044 BQSYYKXXZAPHMU-SFHVURJKSA-N 380.448 2.628 50 50 GFGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1O 2379887 JNUWLLQSTBTVIL-KEBDBYFISA-N 375.812 2.842 50 50 GFGA O=C(CNC(=O)Nc1cccc(Cl)c1Cl)N/N=C/c1cccc(O)c1 2141426 ZEGKQPATPIJFSG-DNTJNYDQSA-N 381.219 2.971 50 50 GFGA Cn1ncc2cc(C(=O)NCC3(NC(=O)CCl)CCCCCC3)sc21 1875383668 BTNVDDGRWONZHE-UHFFFAOYSA-N 382.917 2.813 50 50 GFGA COCc1[nH]nc2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 4163299 RFVCPMCAMASGQS-LBPRGKRZSA-N 379.189 2.676 50 50 GFGA COC(=O)C[C@]12C[C@H](CCBr)[C@](C)(C(=O)OC)[C@H]1CC[C@@H]2C=O 101054410 NGDUVTSSOZSRRA-YAKIMEMVSA-N 389.286 2.745 50 50 GFGA CCn1c(SCC(=O)N/N=C/c2ccc(O)c(O)c2)nnc1-c1ccccc1 864006 BSOSLNQMEYBVRF-RGVLZGJSSA-N 397.460 2.619 50 50 GFGA O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)[C@H]1COc2cc3ccccc3cc2O1 5031437 PYAOXVNKPNGYOL-ZRRZKUONSA-N 393.355 2.744 50 50 GFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC)cc1 4230156 FUABFNQVOINKQC-OEAKJJBVSA-N 383.448 2.754 50 50 GFGA CCCCc1ccc(S(=O)(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cc1 5041303 NSYUQYPSDOSZRV-UHFFFAOYSA-N 391.449 2.773 50 50 GFGA COc1cc(OC)c(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1Br 662824 UBCLDBCIZVFCMT-QGMBQPNBSA-N 395.209 2.641 50 50 GFGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@H]1c1cccc(O)c1)S(=O)(=O)CC2 4623343 ZONRBDIBCFWQPB-SFHVURJKSA-N 397.431 2.859 50 50 GFGA COc1cccc([C@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1OC 1010331 VAULAYPBXMEXSO-SFHVURJKSA-N 396.491 2.917 50 50 GFGA CCOCCOCC[C@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1 2333402 DJTBBHNJPHIYAP-LJQANCHMSA-N 376.389 2.897 50 50 GFGA COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccs2)sc(C(N)=O)c1C 6825037 RMOZEMWDFDBAHG-RMKNXTFCSA-N 375.431 2.549 50 50 GFGA C/C(=N\NC(=O)c1ccc(O)c(O)c1)c1ccc(Br)c([N+](=O)[O-])c1 22033266 RPRDYKZRLBXFHW-CAOOACKPSA-N 394.181 2.923 50 50 GFGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@@H]2O)[C@H](OCc2ccccc2)[C@H]1O3 257356057 FKYXBQXDVOUFID-HZOYKTJASA-N 394.540 2.803 50 50 GFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c(OC)c1 1426888 BSFLQOKDUFIPTP-SFHVURJKSA-N 389.411 2.774 50 50 GFGA C[C@H](NC(=O)CCl)[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 1875384546 SGRHESDFTFBKAV-CABZTGNLSA-N 379.671 2.578 50 50 GFGA Cc1ccc2c(c1)S[C@H](C(=O)N1CCC(C)(CNC(=O)CCl)CC1)C2 1875384781 XFPVFZITBZUTSE-INIZCTEOSA-N 380.941 2.996 50 50 GFGA Cc1nn(C)c(C(=O)NNC(=O)Nc2cccc(C(F)(F)F)c2)c1Cl 2856938 CYKITQRBQCTFDN-UHFFFAOYSA-N 375.738 2.867 50 50 GFGA Cc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1 22924827 JBEOLGVPRQQFRL-OEAKJJBVSA-N 384.911 2.916 50 50 GFGA O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cc2ccccc2[nH]c1=O 4229165 VPSHVMJMKGQWGB-DHRITJCHSA-N 398.422 2.561 50 50 GFGA COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Br)cc1 2898377 KWZKQNCYEVTCHE-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA CCOc1ccccc1-c1cc(C(=O)N/N=C2\C(=O)Nc3ccccc32)[nH]n1 18067020 KIEXZZJSSOPGQY-UHFFFAOYSA-N 375.388 2.562 50 50 GFGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(Br)c1 1922070 BAGLAAOZEXZZCK-AWQFTUOYSA-N 394.656 2.983 50 50 GFGA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)N/N=C/c4ccncc4)c(=O)n1c23 199412328 OEJIFVAJLYMERY-MOSLJXCSSA-N 380.379 2.512 50 50 GFGA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NNC(=O)c1cccc([N+](=O)[O-])c1 16671997 VYEDAWXFYVGLMD-YBEGLDIGSA-N 399.794 2.789 50 50 GFGA Cn1ncc(Br)c1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 667191 AHPXDXIAZAMROK-NGYBGAFCSA-N 375.148 2.965 50 50 GFGA CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2cc(C)ccc2C)c1O 35334615 MSTJVCYNFDZACA-KEBDBYFISA-N 387.392 2.845 50 50 GFGA O=C(NN=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 1403810 RXWSKSRDUQMIKY-UHFFFAOYSA-N 391.880 2.911 50 50 GFGA CCOc1cc(/C=N/NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)ccc1O 16974318 ODLIDIPJVSEZEB-CIAFOILYSA-N 380.404 2.954 50 50 GFGA COc1ccc(OC)c(NC(=S)NNC(=O)COc2cc(C)ccc2C)c1 2852760 HSZBOEBCXOEJCK-UHFFFAOYSA-N 389.477 2.717 50 50 GFGA Cc1nn(CC(=O)N2CCC[C@@H](C)[C@@H]2CCNC(=O)CCl)c(C)c1Cl 1875384239 MVAKYWHXXSZNFK-RISCZKNCSA-N 389.327 2.526 50 50 GFGA C/C(N)=C(\C#N)C(=O)COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 221949713 VDXMSDBDZHVSQC-QAIQBRPOSA-N 381.270 2.589 50 50 GFGA COc1ccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c(O)c1 16677679 CCCWHNRBZJFIDX-OERAWDQMSA-N 378.384 2.844 50 50 GFGA COc1cc(CN2CCN(C)[C@H](c3nccn3C)C2)ccc1OCCCCl 2325734563 ASRHOAOLMAQXFM-KRWDZBQOSA-N 392.931 2.925 50 50 GFGA Cc1ccc(C(=O)N2[C@@H](C(=O)NN)CS[C@@H]2c2ccc(Cl)cc2)cc1 1390197 ZSTIQNBEAHBHFZ-CRAIPNDOSA-N 375.881 2.895 50 50 GFGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@H]2O)[C@@H](OCc2ccccc2)[C@H]1O3 257356058 FKYXBQXDVOUFID-XKOWKRFSSA-N 394.540 2.803 50 50 GFGA COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1O 2571801 NSTZQFZWWXUHGR-UFWORHAWSA-N 382.203 2.796 50 50 GFGA Cc1ccc(NCCCC(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 25759685 KKLJUYSLYXFIJM-UHFFFAOYSA-N 381.392 2.568 50 50 GFGA C=CCOc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(OCCC)cc1 4296339 XNZUSMBEISUQBN-BUVRLJJBSA-N 395.459 2.920 50 50 GFGA Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 4360104 PQVGZOOHZRHOJA-LPYMAVHISA-N 391.383 2.896 50 50 GFGA C[C@H]1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]1O 169836975 NRZKHYBFLAMACN-LQWHRVPQSA-N 398.575 2.876 50 50 GFGA C[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C(=O)O)csc2C1 239119538 IUKBUXKYOYNLOF-PRNVEUERSA-N 388.489 2.547 50 50 GFGA Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(N)=O 2532226 OCSSYEODIQWNRR-DJKKODMXSA-N 376.210 2.979 50 50 GFGA I[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]1[C@H]1[C@H]2[C@@H]3[C@H]1[C@H]4I 254401293 CTOZWVMTSCJSMU-MIDOXICBSA-N 383.998 2.591 50 50 GFGA O=C(NNS(=O)(=O)c1cnc(-c2ccc(F)cc2)s1)c1ccccc1F 2325879216 MUZUKZSTYDUADB-UHFFFAOYSA-N 395.412 2.712 50 50 GFGA COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21 705934 OYYGOMYTXVQRIC-AWEZNQCLSA-N 389.205 2.938 50 50 GFGA COC(=O)c1c(NC(=S)NNC(=O)c2ccco2)sc2c1CC[C@@H](C)C2 2851207 AANLSLAQVJXVPK-SECBINFHSA-N 393.490 2.884 50 50 GFGA Cc1cccc(C(=O)NCC(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)c1 4229640 BDXPFTSJSGODHU-NUGSKGIGSA-N 397.818 2.635 50 50 GFGA O=C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N/N=C/c1cccc(F)c1 4828678 LUEMMRXLCVKGOW-DNTJNYDQSA-N 393.762 2.659 50 50 GFGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 25759642 QVMIWSAIAFPZNU-BHGWPJFGSA-N 393.365 2.984 50 50 GFGA CC1=C(C#N)[C@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(=O)N1 5050727 HWYBXKXJYFZHMM-CYBMUJFWSA-N 378.137 2.952 50 50 GFGA O=C(NNS(=O)(=O)c1ccc2ccccc2c1)Nc1cccc([N+](=O)[O-])c1 2852772 GXWMSEPWIVELFF-UHFFFAOYSA-N 386.389 2.763 50 50 GFGA Cc1ccc(CSCC(=O)NNC(=S)Nc2ccc3c(c2)OCO3)cc1 6400701 VNQLMCUQIUKXOL-UHFFFAOYSA-N 389.502 2.975 50 50 GFGA COc1cc(/C=N\NC(=O)CCC(=O)Nc2ccc(Cl)cc2)ccc1O 32678404 YMFPMLMKPBPXTI-JAIQZWGSSA-N 375.812 2.923 50 50 GFGA COc1ccc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1 1209512 PIAIBGSTIVYOEB-UDWIEESQSA-N 381.461 2.827 50 50 GFGA CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCSSCCC(=O)O 1875355078 ZEXYWACMTWOEJP-GFCCVEGCSA-N 394.559 2.898 50 50 GFGA O=C(CCl)NC1(C2CCN(C(=O)[C@@H]3CCCC[C@@H]3n3cccn3)CC2)CC1 1875384215 MGPZYRWWBKHDML-SJORKVTESA-N 392.931 2.741 50 50 GFGA O=C(NNc1ccc(F)c([N+](=O)[O-])c1)c1cc(N2CCCC2=O)ccc1F 225391400 LVNMTWLJRAAEDO-UHFFFAOYSA-N 376.319 2.757 50 50 GFGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1 1214665 VTDFDYBLRBOHIS-LPYMAVHISA-N 390.355 2.973 50 50 GFGA CCOc1cccc(-c2cc(C(=O)N/N=C3/C(=O)Nc4ccccc43)[nH]n2)c1 2363059 AIMFYHATFJHZEL-UHFFFAOYSA-N 375.388 2.562 50 50 GFGA O=C(Cc1noc2ccc(F)cc12)NC[C@H](NC(=O)CCl)c1ccccc1 1875384914 YLUFLSCFAMZWNS-INIZCTEOSA-N 389.814 2.722 50 50 GFGA Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1O 3660226 WCXRESTWAZRRCY-GIJQJNRQSA-N 376.210 2.552 50 50 GFGA COC(=O)c1c(NC(=S)NNC(=O)c2ccccc2)sc2c1CCC2 6735072 YNCWPRSPIXBVBF-UHFFFAOYSA-N 375.475 2.655 50 50 GFGA CCc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1 1211558 ILWLJZXXVLKWIL-GKXUUXLPSA-N 380.404 2.660 50 50 GFGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1ccncc1)S(=O)(=O)CC2 1429909 FOTTVONRPRWVCM-QGZVFWFLSA-N 382.420 2.548 50 50 GFGA O=C(Nc1cccc(Cl)c1Cl)c1cc(Br)cc(B(O)O)c1 169744779 YYVGPPVVCWPHEB-UHFFFAOYSA-N 388.841 2.688 50 50 GFGA COc1ccc(CO[C@H]2[C@@H](CO)OC(=O)[C@@H]2O[Si](C)(C)C(C)(C)C)cc1 169834175 DGUKBRQMZSVKBT-IXDOHACOSA-N 382.529 2.889 50 50 GFGA CCNC(=S)NNC(=O)CSc1nc2ccccc2n1Cc1ccccc1 1831415 BJGYSIYFXCPEST-UHFFFAOYSA-N 399.545 2.692 50 50 GFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(OC)c(OC)c(OC)c1 3667182 IQSBRVQEPKLVGY-KRWDZBQOSA-N 386.404 2.523 50 50 GFGA C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)N/N=C/c4ccccn4)c(=O)n1c23 199412450 KGHNGSQSHQOWCM-QQUGTJAQSA-N 380.379 2.512 50 50 GFGA COc1c(O)ccc(/C=N\NC(=O)c2ccc(Br)cc2)c1[N+](=O)[O-] 55421370 AMTURTYUEYXGDL-IUXPMGMMSA-N 394.181 2.835 50 50 GFGA COC(=O)C[C@]12C[C@H](CCBr)[C@](C)(C(=O)OC)[C@H]1CC[C@H]2C=O 257357298 NGDUVTSSOZSRRA-PMUIAIRXSA-N 389.286 2.745 50 50 GFGA CCOC(=O)[C@@H]1C[C@H](Cl)[C@H]([S@@](=O)c2ccccc2)C[C@H]1C(=O)OCC 245254844 CMYFIVFGISYXSM-BKAYTKHSSA-N 386.897 2.923 50 50 GFGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)ccc1O 5295302 VKTUXZKAMQVYJR-CIAFOILYSA-N 380.404 2.954 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)cc3OC)[nH]n2)cc1 5297734 HZJCLBHBWRQPNJ-CIAFOILYSA-N 380.404 2.866 50 50 GFGA O=C(CCl)NC[C@@H](NC(=O)c1csc(C(F)(F)F)n1)C1CCCC1 1875383730 DKQOJQHXUURNDV-SECBINFHSA-N 383.823 2.806 50 50 GFGA Cc1ccc(C(=O)N2[C@H](c3ccc(Cl)cc3)SC[C@H]2C(=O)NN)cc1 1390198 ZSTIQNBEAHBHFZ-YJBOKZPZSA-N 375.881 2.895 50 50 GFGA COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OC(C)=O 1301818 NLAQEGPANCEMOK-KEBDBYFISA-N 398.444 2.739 50 50 GFGA C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N/NC(=O)c1ccc([N+](=O)[O-])cc1 12342895 XWYMEKVBWRPTMR-ODLFYWEKSA-N 385.336 2.638 50 50 GFGA COc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl 1926540 YMLBGDFREYWXLP-UHFFFAOYSA-N 398.271 2.951 50 50 GFGA O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(F)cc1 1226275 ZZKFEZMGEANAAE-DJKKODMXSA-N 397.191 2.993 50 50 GFGA CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 102298634 MPVAOKBGUKGGHS-PPRFWAEMSA-N 378.432 2.618 50 50 GFGA O=C(NNC(=O)N1CCCO[C@H]2CCC[C@H]21)c1ccc(COc2ccccc2)o1 365342410 IDLWJYZQXYOLEJ-MSOLQXFVSA-N 399.447 2.856 50 50 GFGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)c1 4229912 JAXXPETYUOETOA-KEBDBYFISA-N 375.812 2.754 50 50 GFGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)ccc1O 4372845 QBXZLADWVXOBJV-CAOOACKPSA-N 394.181 2.592 50 50 GFGA O=C(CCl)NCc1ccc(CNC(=O)c2ccc3nccnc3c2)c(F)c1 1875384573 UCNLKUKQGGKNRY-UHFFFAOYSA-N 386.814 2.554 50 50 GFGA CC(C)(C)n1nnc(CN(Cc2ccc3scnc3c2)C(=O)CCl)n1 1875383982 ILBCZEASFPBMEN-UHFFFAOYSA-N 378.889 2.805 50 50 GFGA COc1ccc(Br)cc1/C=N/NC(=O)Cn1cnc2ccccc21 945586 ZUXUJAHTAASVTP-AWQFTUOYSA-N 387.237 2.958 50 50 GFGA COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21 705935 OYYGOMYTXVQRIC-CQSZACIVSA-N 389.205 2.938 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 2518476 QYOMCBPCGAMJHA-AWQFTUOYSA-N 394.214 2.869 50 50 GFGA CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)c1cnccc1N1CC[C@@H](O)C1 1875347016 HUHCUSFQARQIQE-CYBMUJFWSA-N 394.472 2.834 50 50 GFGA I[C@H]1[C@@H]2[C@@H]3[C@H]4[C@H]1[C@H]1[C@H]2[C@H]3[C@H]1[C@H]4I 254401291 CTOZWVMTSCJSMU-JZGGPKMHSA-N 383.998 2.591 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)cc1OC 5296065 BKILJBKXJLTFBH-LPYMAVHISA-N 393.447 2.924 50 50 GFGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2859853 WNRBYYNPLWBFDW-UHFFFAOYSA-N 386.364 2.875 50 50 GFGA COc1cc(Br)ccc1C(=O)N/N=C/c1ccc2c(c1)OCO2 1073976 OIXOLXSZULLQKX-QGMBQPNBSA-N 377.194 2.950 50 50 GFGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 2553159 SHSCDACNKMCLOD-QGMBQPNBSA-N 381.175 2.990 50 50 GFGA COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1OC 1193669 NTGWFEUDXNQKAU-RGVLZGJSSA-N 384.461 2.833 50 50 GFGA N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=O)C[C@H]1c1ccco1 9108552 BAIIMUCEUKJDEF-LLVKDONJSA-N 398.400 2.898 50 50 GFGA CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1 2571836 WFBQGDLNPVWSQB-YBFXNURJSA-N 389.253 2.604 50 50 GFGA O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(O)cc1O 5017482 UASLGCJTHCWBDV-FSJBWODESA-N 387.395 2.716 50 50 GFGA Cc1ncsc1C(=O)NNC(=O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 373810668 BTZOQSWZMHQKOG-SJCJKPOMSA-N 377.853 2.606 50 50 GFGA C[C@]1(C(=O)NC[C@H](NC(=O)CCl)c2ccccc2)OCCc2ccccc21 1875384280 NSMRUMUCILAPAP-RXVVDRJESA-N 386.879 2.687 50 50 GFGA CCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(C(=O)[C@H](C)Cl)C1 1875380382 MZMPXKCUQFCJCM-GJZGRUSLSA-N 388.899 2.955 50 50 GFGA Cc1cccc[n+]1[C@@H]1[C@@H](c2ccccc2)C(C#N)=C(C(=C=N)C#N)N[C@@]1(O)C1CC1 263592102 RSZNXVDRNGQRFL-QPTUXGOLSA-N 396.474 2.785 50 50 GFGA CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Br)c1O 1203260 NXLDXXFGXPSRPY-GDXCHIGESA-N 393.237 2.737 50 50 GFGA CC1=NN(c2ccccc2)C(=O)[C@]12[C@H](c1ccccc1)[C@]2(C#N)C(N)=C(C#N)C#N 252470031 NQSUOEFTMHMRMG-UEVCKROQSA-N 392.422 2.963 50 50 GFGA CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cnccn3)cc2)cc1 2543197 YISUFGATLRYHBO-ZMOGYAJESA-N 390.399 2.858 50 50 GFGA CCOc1ccc(NC(=O)C(=O)NNC(=O)Nc2cccc(Cl)c2)cc1 2143145 FZKKVDFXWCMUMZ-UHFFFAOYSA-N 376.800 2.530 50 50 GFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)cc1OC 8684729 JIBQRJDGJCIOLE-UFFVCSGVSA-N 394.387 2.587 50 50 GFGA COc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(OC)c1OC 1091190 AMEJBUURWZMDNM-KEBDBYFISA-N 378.812 2.895 50 50 GFGA O=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])[C@H]1COc2cc3ccccc3cc2O1 35337441 MVCSNNJYVQICNS-ZRRZKUONSA-N 393.355 2.744 50 50 GFGA CC1CCN(c2nc3ccccn3c(=O)c2/C=N/NC(=O)c2ccccc2)CC1 4738083 DDDZJGIGNIMGKX-HZHRSRAPSA-N 389.459 2.695 50 50 GFGA CCOC(=O)N[C@@H](O[C@H](NC(=O)OCC)C(Cl)Cl)C(Cl)Cl 3130879 BDMJZWRISGTUKC-YUMQZZPRSA-N 386.059 2.755 50 50 GFGA COC(=O)C1=C(C(=O)OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2Cl 101046085 PTHAIDJVSTZQHP-GHMZBOCLSA-N 380.438 2.908 50 50 GFGA CC1=C(C#N)[C@@]2(C(=O)Nc3ccccc32)C(C(=O)OCc2ccccc2)=C(N)O1 647619 CYAWPIFGHSJJJT-JOCHJYFZSA-N 387.395 2.618 50 50 GFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cccc(Br)c1 4210783 VAXOMAWJEYGOLK-AWQFTUOYSA-N 394.656 2.983 50 50 GFGA COc1ccccc1C1(C(=O)N[C@H]2C[C@@H](NC(=O)CCl)C23CCC3)CC1 1875384497 QUDWJURIWKKGEB-CVEARBPZSA-N 376.884 2.509 50 50 GFGA C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)c1ccc(O)cc1O 100090453 KVXWLEBDIZZKSN-FOKLQQMPSA-N 385.464 2.535 50 50 GFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 8837824 IGTVGACENWNOCZ-VCHYOVAHSA-N 380.320 2.657 50 50 GFGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 8818184 DALXFCSYKDLNNS-RGVLZGJSSA-N 395.375 2.766 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2571803 GKLZDDFETDDZGX-AWQFTUOYSA-N 394.214 2.869 50 50 GFGA C[C@H](NC(=O)CCl)[C@H]1CCCN(C(=O)C(F)(F)c2ccccc2F)C1 1875384767 WQXJSHGYYPJRCC-RYUDHWBXSA-N 376.806 2.900 50 50 GFGA Cc1cc(CCCC(=O)N2CCCO[C@@H](CNC(=O)CCl)C2)c(C)s1 1875384210 MGDVJAXCRJFVJQ-INIZCTEOSA-N 386.945 2.660 50 50 GFGA C/C(=N\NC(=O)c1ccccn1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 100307911 ARHYRQLCABVOTK-LUZZDJJGSA-N 390.443 2.915 50 50 GFGA O[C@@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@H]4[C@H]1Br)[C@H]2C(Br)(Br)[C@H]53 245227864 WZBOKYFPZUQGLI-KIHLDXMMSA-N 398.920 2.739 50 50 GFGA CO[C@@H]1C[C@H](O)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 169982352 AEDSCEUXZVLWFU-HBMCJLEFSA-N 386.564 2.685 50 50 GFGA O=C(Cc1ccc(Br)cc1)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 5061174 ZUJGVQUVGNQVOK-UHFFFAOYSA-N 393.197 2.753 50 50 GFGA Cc1cc(OCC(=O)NNC(=O)c2ccccc2C)ccc1Br 1230053 RPGPABHZLKPPAK-UHFFFAOYSA-N 377.238 2.906 50 50 GFGA CN(C)c1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 4229752 VJYUDTLZFRDZNR-WSDLNYQXSA-N 395.488 2.653 50 50 GFGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)[C@]1(C)CC1(Cl)Cl 4999188 BTGVHSJQCCCNIF-LBPRGKRZSA-N 393.252 2.505 50 50 GFGA COC(=O)[C@](O)([C@H](Cl)C(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2770082 KMOFUONVJMUAIX-LDYMZIIASA-N 393.667 2.718 50 50 GFGA C=CCOc1c(I)cc(/C=C(\C#N)C(=O)OC)cc1OC 220955530 NAYTWGNCVQTQQX-IZZDOVSWSA-N 399.184 2.945 50 50 GFGA C/C=C/[C@H]1C[C@@H](CC(=O)OCC)O[Si](c2ccccc2)(c2ccccc2)O1 169815697 QWFYBRNLHRWLEZ-HNOBPVDOSA-N 382.532 2.946 50 50 GFGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)c1O 5403168 YAJPEGBJAYDVPY-CIAFOILYSA-N 380.404 2.954 50 50 GFGA COc1nn([C@@H](C)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 675738 WKVAMCXOUMATMX-INAZWQERSA-N 386.195 2.818 50 50 GFGA O=C(COc1ccccc1)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O 5005950 SZIBHHKJNDVTOT-CAOOACKPSA-N 394.181 2.592 50 50 GFGA C=CCOc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(OCC)cc2)c1 4347466 HBQOXPYQQPBGNY-OEAKJJBVSA-N 381.432 2.530 50 50 GFGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 2941558 XGKPRCFXLYKDEQ-CIAFOILYSA-N 383.404 2.683 50 50 GFGA O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(-n2cccc2)cc1 2801065 KONGEHZDDSWDRZ-RGVLZGJSSA-N 378.344 2.878 50 50 GFGA CSc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 19800596 AHFXXRQZMQWHST-PXLXIMEGSA-N 382.533 2.676 50 50 GFGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccccc1I 711268 GHKYURMIPQGZFE-UHFFFAOYSA-N 380.214 2.509 50 50 GFGA O=C(C[C@@H](NCc1cccnc1)C(=O)O)NN(c1ccccc1)c1ccccc1 2858995 ORXADVLOWGUGAB-HXUWFJFHSA-N 390.443 2.884 50 50 GFGA COc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1CN1CCOCC1 13322068 OXDMGQNLZJWDDZ-ZMOGYAJESA-N 392.459 2.773 50 50 GFGA C=CC(=O)N1CCC[C@@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)C1 2325889392 NQBIFBCMFRUKPF-SNVBAGLBSA-N 385.251 2.571 50 50 GFGA CC(C)CNC(=O)c1c2n(c3ccccc3c1=O)C[C@@H](CBr)O2 299738192 IIBDGOABRCZKRQ-LLVKDONJSA-N 379.254 2.543 50 50 GFGA COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1O 2576228 AFARYZDHESVLRR-GIJQJNRQSA-N 379.210 2.936 50 50 GFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)c(OC)c1OC 4168303 ZXYDDGKOMXBGNR-ZDUSSCGKSA-N 384.436 2.951 50 50 GFGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1ccc(F)cc1 22932196 ZOAYLVIYOJXOBO-YDZHTSKRSA-N 388.874 2.747 50 50 GFGA COc1ccc(/C=N/NC(=O)COc2ccccc2Br)cc1OC 1208952 AXGPFDRKLBFISC-VXLYETTFSA-N 393.237 2.995 50 50 GFGA O=C(CNc1ccc(I)cc1)N/N=C/c1ccccc1F 1226064 GYIQQEQNTSFZCT-DJKKODMXSA-N 397.191 2.993 50 50 GFGA Cc1nn(CC(=O)N2CCC[C@H](C)[C@@H]2CCNC(=O)CCl)c(C)c1Cl 1875384238 MVAKYWHXXSZNFK-FZMZJTMJSA-N 389.327 2.526 50 50 GFGA O=C(CCl)NC[C@@H](NC(=O)c1cc2c(s1)CCOC2)C1CCCCC1 1875383865 GAMWOEHHJJJCHG-CQSZACIVSA-N 384.929 2.855 50 50 GFGA Cc1nc([C@H](C)Oc2cccc(B(O)O)c2C=O)oc1-c1ccc(Cl)cc1 2325826113 PHTXUCJMYSAJHL-LBPRGKRZSA-N 385.612 2.936 50 50 GFGA COc1cc(/C=N/NC(=O)c2cccc(C)c2O)cc(Br)c1O 5943055 CTVWPCZOZLBHIW-QGMBQPNBSA-N 379.210 2.941 50 50 GFGA O=S1(=O)C[C@@H](Cl)[C@H](/N=C(/NCc2ccco2)C(Cl)(Cl)Cl)C1 4531342 OMWJFZZVWLECQO-RKDXNWHRSA-N 394.107 2.542 50 50 GFGA C/C=C/[C@@H]1C[C@@H](CC(=O)OCC)O[Si](c2ccccc2)(c2ccccc2)O1 169815701 QWFYBRNLHRWLEZ-BGFHTCKMSA-N 382.532 2.946 50 50 GFGA C=CCc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)c(OC)c1 4996820 YYNLKSRSJXVURT-RGVLZGJSSA-N 385.376 2.567 50 50 GFGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 9270661 AHWGVFPHJPUSCM-UDWIEESQSA-N 378.392 2.815 50 50 GFGA O=C(CCc1nc2ccccc2o1)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCl 1875383576 ZRWYUAIWJIDWIO-IIBYNOLFSA-N 397.862 2.898 50 50 GFGA CN(C)N1C(N)=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 1162726 BPZXTPAKVCWDMA-KRWDZBQOSA-N 381.436 2.808 50 50 GFGA COc1ccccc1C(=O)NC(=S)NNC(=O)Cc1cccc2ccccc12 2860396 VFWFMVDVJVIUKC-UHFFFAOYSA-N 393.468 2.727 50 50 GFGA O=C(NNS(=O)(=O)c1ccc(Br)cc1)[C@@H]1C[C@H]1c1ccccc1 4113476 YRLHXKGBNXZWKX-LSDHHAIUSA-N 395.278 2.562 50 50 GFGA COc1ccc([C@@H]2C(C#N)=C(N)N(c3ncn[nH]3)C3=C2C(=O)CC(C)(C)C3)cc1 8559525 ITNDWUDGRLTHGN-QGZVFWFLSA-N 390.447 2.754 50 50 GFGA CC(=O)Nc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3n2)cc1C 755636338 WLAJDKVNWOOOHB-UHFFFAOYSA-N 377.404 2.968 50 50 GFGA COc1ccccc1[C@@H](CNC(=O)[C@@H]1Cc2ccc(F)cc21)NC(=O)CCl 1875383958 HSTZQEJYVDDEBC-IAGOWNOFSA-N 390.842 2.687 50 50 GFGA CCCn1c(=O)c(C(=O)N/N=C/c2ccc(O)c(OC)c2)c(O)c2ccccc21 101123493 CFBYKPDDJKPDNR-WSDLNYQXSA-N 395.415 2.595 50 50 GFGA O=C(C[C@H](NCc1cccnc1)C(=O)O)NN(c1ccccc1)c1ccccc1 2858994 ORXADVLOWGUGAB-FQEVSTJZSA-N 390.443 2.884 50 50 GFGA COc1cccc(NC(=S)NNC(=O)c2ccc(OC(F)F)c(OC)c2)c1 652573 OWXOUZNABXRTKO-UHFFFAOYSA-N 397.403 2.937 50 50 GFGA O=C(NNC(=O)c1c(O)[nH]c2ccccc2c1=O)c1ccc(Cl)cc1Cl 9058779 OKPVULJRWWHQNA-UHFFFAOYSA-N 392.198 2.615 50 50 GFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 3072813 WWBAJIHEVTUAAB-KEBDBYFISA-N 375.812 2.754 50 50 GFGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)[C@H]1C[C@H]1c1ccccc1 6951768 PLTUVQIIVUQCPK-KBPBESRZSA-N 386.433 2.725 50 50 GFGA CNC(=S)NNC(=O)c1cc(C2CC2)nc2ccc(Br)cc12 6734711 HWYWEWRQOYKAJW-UHFFFAOYSA-N 379.283 2.613 50 50 GFGA Cc1nc2ccccc2n1CC(=O)N/N=C/c1cc(Br)ccc1O 5317900 PQLRXJYLGAUPKO-DJKKODMXSA-N 387.237 2.963 50 50 GFGA C/C(=N/NC(=O)c1cc(O)cc(O)c1)c1ccc(NC(=O)C(F)(F)F)cc1 13322316 UWMUROLTQHZDAV-AFPJDJCSSA-N 381.310 2.753 50 50 GFGA COc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1COc1ccccc1C(N)=O 17080365 YSNYOXJWLTWTGI-MHWRWJLKSA-N 393.443 2.805 50 50 GFGA O=C(N/N=C/c1ccccc1OC(=O)c1ccc2c(c1)OCO2)c1ccncc1 1214786 NGAZTYXMHLWOER-FSJBWODESA-N 389.367 2.793 50 50 GFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cc(Cl)ccc1[N+](=O)[O-] 4229738 KHGDQWOCOUCUAW-DNTJNYDQSA-N 395.202 2.782 50 50 GFGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 4295893 QQIHXHAULCQRKO-AUEPDCJTSA-N 379.338 2.594 50 50 GFGA Cc1cc(S(=O)(=O)NC[C@H](NC(=O)CCl)c2ccccc2)c(C)s1 1875384978 ZYCJBGSCBPYZIQ-AWEZNQCLSA-N 386.926 2.740 50 50 GFGA O=C(CCn1cnc([N+](=O)[O-])n1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 2784064 XMSJCQYDFFLFRO-DJKKODMXSA-N 388.771 2.640 50 50 GFGA C[C@]1(C(=O)N[C@H]2C[C@@](CNC(=O)CCl)(c3ccccc3)C2)C[C@]1(F)Cl 1875383156 JGXBBHSESHEMTI-NKGKWGDASA-N 387.282 2.873 50 50 GFGA COc1ccc(CCNC(=S)NNC(=O)c2ccc(Cl)s2)cc1OC 2855057 CDUGJGYAXWRBIA-UHFFFAOYSA-N 399.925 2.770 50 50 GFGA CCOc1ccc(NC(=O)[C@@H](Br)[C@H](Br)C(=O)O)cc1 1739527 LEHYZLMSLRTIHZ-UWVGGRQHSA-N 395.047 2.635 50 50 GFGA Cn1cccc1-c1cc(C(=O)N/N=C/c2cc(Br)ccc2O)[nH]n1 867664 ZJZDWBMDIPWEIB-GIJQJNRQSA-N 388.225 2.647 50 50 GFGA Cc1cc(-n2c(C)cc(C(=O)NCCSSCCC(=O)O)c2C)no1 1875388581 HJKFMTOUQWYOEN-UHFFFAOYSA-N 383.495 2.976 50 50 GFGA O=C(NNc1ncc(F)cn1)Nc1cccc2c1CCN(CC(F)(F)F)C2 952876071 KNAACXMOFMCONU-UHFFFAOYSA-N 384.337 2.685 50 50 GFGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4230182 OJQMSUKMYCEVBY-HMASQMOLSA-N 376.796 2.721 50 50 GFGA COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)c1 5130513 BCZZPQVRLDIRNK-INIZCTEOSA-N 375.388 2.707 50 50 GFGA COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1I 1229805 UAECFXRGDSMTQV-WOJGMQOQSA-N 394.212 2.993 50 50 GFGA CC(C)[C@@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1 225493426 HBYZRLGSDQOGQC-KNQAVFIVSA-N 396.487 2.865 50 50 GFGA O=C(COc1ccccc1Cl)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 5589466 TUDZZHZQOYNLBM-UHFFFAOYSA-N 380.813 2.645 50 50 GFGA COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)c1 5130059 NXQURLNDKRLTJL-INIZCTEOSA-N 375.388 2.707 50 50 GFGA CCOC(=O)[C@@H]1C[C@H](Cl)[C@H]([S@](=O)c2ccccc2)C[C@H]1C(=O)OCC 245254846 CMYFIVFGISYXSM-NFUBKKBHSA-N 386.897 2.923 50 50 GFGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)c1cn(C)c2ccccc12 5041460 PDYFLISVUNACEA-UHFFFAOYSA-N 399.432 2.727 50 50 GFGA C[C@@H]1CCCN(C(=O)c2onc3c2CCCC3)[C@@H]1CCCNC(=O)CCl 1875384763 WPFRIEIUNAYSQC-CZUORRHYSA-N 381.904 2.929 50 50 GFGA CC(C)(C)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1NC(=O)CCl 1875383516 WZQQOEHETUEDFG-HZPDHXFCSA-N 378.900 2.853 50 50 GFGA Cc1cc2c(c(=O)n1CCN(C)C)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 863747 VJEMOEOPXNLUJB-KRWDZBQOSA-N 384.867 2.590 50 50 GFGA O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccc(Cl)cc1 3008804 NHJNUKHYCJLLJO-QGMBQPNBSA-N 396.628 2.897 50 50 GFGA O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1ccc(Cl)cc1Cl 5583011 VZQPTWXIRKHKJU-UHFFFAOYSA-N 379.159 2.988 50 50 GFGA O=C(N/N=C\c1cc(O)ccc1[N+](=O)[O-])[C@@H]1COc2cc3ccccc3cc2O1 35337442 MVCSNNJYVQICNS-GIJPEOLDSA-N 393.355 2.744 50 50 GFGA O=C(NNC(=S)NC[C@@H]1CCCO1)C1c2ccccc2Oc2ccccc21 1120405 FITYZVOCQVOGAQ-ZDUSSCGKSA-N 383.473 2.599 50 50 GFGA COC(=O)CC1=C(C(=O)OC)[C@H](c2cccc3ccccc23)C(C#N)=C(N)O1 1386744 ZOSWTJMSGWYQDK-GOSISDBHSA-N 378.384 2.638 50 50 GFGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1 2902797 BASQRORVCMWTNM-YBFXNURJSA-N 390.237 2.937 50 50 GFGA C#CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 4454199 XWKYWGPOLXGTIZ-HNNXBMFYSA-N 385.221 2.711 50 50 GFGA COc1cccc([C@H](OC)C(=O)N2CCC(C3(NC(=O)CCl)CC3)CC2)c1 1875383986 IQJWSZRGLZVDKV-SFHVURJKSA-N 394.899 2.509 50 50 GFGA Cc1ccccc1O[C@@H](C)C(=O)NNC(=S)Nc1ccc2c(c1)OCCO2 6401859 PPXJVAMFDDETQU-ZDUSSCGKSA-N 387.461 2.551 50 50 GFGA O=C(N/N=C/c1ccccc1O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4230323 ARWCJCHXVLTVSE-KGENOOAVSA-N 395.440 2.957 50 50 GFGA Cc1cccc(NC(=O)C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)c1 2520316 OZMIVNRZJJXQTC-ZVBGSRNCSA-N 383.791 2.844 50 50 GFGA O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O 4646694 HNDFDAMWLNJYBK-PTIKLQEPSA-N 392.242 2.679 50 50 GFGA COc1ccc(C)cc1NC(=O)NNC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1 2852645 TUJJAKYXYATMJM-LBPRGKRZSA-N 388.380 2.532 50 50 GFGA Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cn(C)nc2-c2ccoc2)c1C 225719627 ZZAKCQRZAKADQK-AWEZNQCLSA-N 382.420 2.525 50 50 GFGA O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccco2)n[nH]1 5125857 ZQVUAKANXYRFIW-CAOOACKPSA-N 375.182 2.902 50 50 GFGA COc1ccc(O)c(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1 4296083 ISOKBAZTBUDGHM-ODCIPOBUSA-N 396.230 2.588 50 50 GFGA Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\NC(=O)c1ccccc1O 5612642 OSPJNGGHXHQMPX-RGEXLXHISA-N 388.221 2.574 50 50 GFGA COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)OC)C(O)=N1 8994712 HKHMZZJBLLCJJL-KGLIPLIRSA-N 394.836 2.824 50 50 GFGA COc1cc(/C(C)=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1O 71776219 TUZKINJRFUCIOQ-RGVLZGJSSA-N 395.375 2.853 50 50 GFGA O=C(CCl)NC1(C2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)CC1 1875383989 IRULPEHLPLCKIQ-UHFFFAOYSA-N 378.875 2.984 50 50 GFGA CC(C)(Cc1c(C(=O)NN)cnn1-c1ccccc1)C(=O)Nc1ccccc1 2080383878 AIPQXQRGQYBUQX-UHFFFAOYSA-N 377.448 2.683 50 50 GFGA COc1ccc(CC(=O)NNC(=S)Nc2ccc(Cl)cc2)cc1OC 1045979 NDEUPAPKULRYHJ-UHFFFAOYSA-N 379.869 2.918 50 50 GFGA O=C(NNC(=O)c1cc(Br)ccc1O)Nc1ccc(F)cc1F 2853681 SPWXRDSNFRPYBB-UHFFFAOYSA-N 386.152 2.899 50 50 GFGA CCOC(=O)C1=C(CBr)N(C)C(=O)N[C@@H]1c1ccc(OC)cc1 4726748 KMEBBZNBHNEION-CQSZACIVSA-N 383.242 2.603 50 50 GFGA Cn1ncc(Br)c1C(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 662654 NWFSBKJNKHMQFF-PJQLUOCWSA-N 386.593 2.508 50 50 GFGA COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)s2)sc(C(N)=O)c1C 17079478 RTLDSVKRQWYMGV-UXBLZVDNSA-N 389.458 2.858 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)cc1 5353083 NQWIZARHTRFFHN-CIAFOILYSA-N 378.388 2.636 50 50 GFGA C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)N/N=C/c4cccnc4)c(=O)n1c23 199412418 IHOCIBPVHKGPDJ-QQUGTJAQSA-N 380.379 2.512 50 50 GFGA Cc1ccccc1NC(=S)NNC(=O)[C@@H](C)Cn1cc(Br)cn1 2795574 MNJOQKPDILIKQA-NSHDSACASA-N 396.314 2.608 50 50 GFGA O=C(N/N=C/c1cc(I)ccc1O)c1cccc(F)c1 1229835 PXADHHKAIGDPDH-CAOOACKPSA-N 384.148 2.900 50 50 GFGA O=C(NNC(=S)Nc1ccccc1)c1ccccc1I 671720 BHIWWRRIANAMLK-UHFFFAOYSA-N 397.241 2.923 50 50 GFGA O=C(O)[C@H](Br)[C@H](Br)C(=O)Nc1cccc(Cl)c1 1738003 QEIHJPIQNNVBRP-JGVFFNPUSA-N 385.439 2.890 50 50 GFGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 2521937 ILTFCKJTOFOGKU-UFWORHAWSA-N 382.203 2.796 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3C(=O)O)[nH]n2)cc1OC 946725 SLYXPQZZRTZGFQ-SRZZPIQSSA-N 394.387 2.556 50 50 GFGA COc1ccccc1[C@@H](CNC(=O)c1c(C)nsc1C)NC(=O)CCl 1875383949 HQKJWEFCJPLIRX-CYBMUJFWSA-N 381.885 2.595 50 50 GFGA COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Br)cc1 2082120 PEIZXHSXSZIGHP-OAHLLOKOSA-N 393.237 2.720 50 50 GFGA COc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(Br)c2)cc1 947065 KNJAMRZPEQOTCI-VXLYETTFSA-N 393.237 2.995 50 50 GFGA Cc1cc2c(c(=O)n1CCN(C)C)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 863748 VJEMOEOPXNLUJB-QGZVFWFLSA-N 384.867 2.590 50 50 GFGA N#CC1=C(N)N=C(SCC(=O)Nc2ccccc2)[C@H](C(N)=O)C12CCCCC2 19867465 UPESHMJXDDKGOX-INIZCTEOSA-N 397.504 2.516 50 50 GFGA CN(C)c1ccc(/C=N/NC(=O)CSc2ncccn2)cc1Br 1192348 RIZXOQFMKIPEMR-DJKKODMXSA-N 394.298 2.548 50 50 GFGA C/C(=N\NC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1)C(C)(C)C 4498312 RUTBBOMBSJNKQF-RCCKNPSSSA-N 388.493 2.815 50 50 GFGA CCOc1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1 239203209 RYLVDSDJJUYXRX-OJVARPOJSA-N 380.238 2.595 50 50 GFGA CCCCc1c(C)nc(SCC(=O)N/N=C/c2ccc(F)cc2)[nH]c1=O 3130383 DQNJNTTXFZAHTF-KEBDBYFISA-N 376.457 2.802 50 50 GFGA I[C@H]1[C@@H]2[C@H]3[C@H]4[C@H]1[C@H]1[C@H]2[C@H]3[C@H]1[C@H]4I 254401288 CTOZWVMTSCJSMU-JEOYLDHBSA-N 383.998 2.591 50 50 GFGA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NNC(=O)c1csc(C)c1C 229930894 WCKKBTDCLNSGBU-AVRGHOLYSA-N 376.478 2.819 50 50 GFGA Cc1cc(Cl)ccc1OCC(=O)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 5041753 UWPLIMYYISPFDG-UHFFFAOYSA-N 394.840 2.953 50 50 GFGA Cc1ccc(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c([N+](=O)[O-])c1 1228190 PSVDHLVHJYFEEQ-FBCYGCLPSA-N 391.767 2.814 50 50 GFGA Cc1ccc(/C=N/NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 17079998 ZWBPCXNWNHUIBP-UZUMKDMXSA-N 391.518 2.608 50 50 GFGA Cc1cc(Br)c(OCc2cccc(Br)c2)c(B(O)O)c1 169746564 VWXCNKUTFMOYDY-UHFFFAOYSA-N 399.875 2.779 50 50 GFGA in-vitro COc1cc(OC)c(/C=N/NC(=O)c2ccc(O)cc2)cc1Br 1013741 AECFDZJRLFPXRH-GIJQJNRQSA-N 379.210 2.936 50 50 GFGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3cccc(OC)c3)n[nH]2)c1O 968804 NZEKTGWHLYDUCB-CIAFOILYSA-N 380.404 2.954 50 50 GFGA COc1ccc(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1O 5670798 BTXGQQGCPYOFBY-RGVLZGJSSA-N 375.812 2.923 50 50 GFGA CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[C@@H](C)Cl)CC1 1875364294 KPRRFTPNKWPIEL-ATLSCFEFSA-N 383.964 2.716 50 50 GFGA Cc1ccc2c(c1Br)[C@@]1(C(=O)N2)C(C#N)=C(N)Oc2cc(N)ccc21 756517 MCTJWFHIIJCCMC-SFHVURJKSA-N 397.232 2.664 50 50 GFGA CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1OC 668683 RXDPCZCETPQTGL-DZUMZMOTSA-N 387.392 2.920 50 50 GFGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)n[nH]2)c1O 5296975 CUMACLXGDFPVAH-CIAFOILYSA-N 380.404 2.954 50 50 GFGA Cc1nc(C2CC2)nc(C)c1C(=O)N[C@H]1CC[C@H](CNC(=O)CCl)CC1 1875383191 KFMUMDABCYFYCJ-CTYIDZIISA-N 378.904 2.614 50 50 GFGA COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(-c2cccs2)n[nH]1 8565657 BKNTXPZYYSHVKH-VXLYETTFSA-N 386.433 2.928 50 50 GFGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c1 8574823 OVBRVRNJWCNKPQ-KRWDZBQOSA-N 375.384 2.763 50 50 GFGA CS(=O)(=O)Cc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799746932 SMIWQJHTUFJPFC-UHFFFAOYSA-N 397.378 2.879 50 50 GFGA COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c1OC 1427247 JAOPIYONZKZQPX-KRWDZBQOSA-N 389.411 2.774 50 50 GFGA O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O 15930065 HNDFDAMWLNJYBK-XIVSLRPRSA-N 392.242 2.679 50 50 GFGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1nnc(-c2ccccc2)s1 4229836 GWYLQDYRHMFJTJ-UDWIEESQSA-N 395.444 2.693 50 50 GFGA CCCn1c(=O)c(C(=O)NNC(=O)c2ccccc2Cl)c(O)c2ccccc21 100594585 RKVKVUWOLQWEKM-UHFFFAOYSA-N 399.834 2.845 50 50 GFGA Cc1cc2c(c(=O)n1Cc1cccnc1)[C@H](c1ccc(O)cc1)C(C#N)=C(N)O2 1756015 QFICNYFKNFBJKG-LJQANCHMSA-N 386.411 2.524 50 50 GFGA CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(C(=O)[C@@H](C)Cl)C1 1875380383 MZMPXKCUQFCJCM-HUUCEWRRSA-N 388.899 2.955 50 50 GFGA Cc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)s1 19849553 KMVXSQVZGUDOCU-CIAFOILYSA-N 390.940 2.978 50 50 GFGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1 6951764 PLTUVQIIVUQCPK-KGLIPLIRSA-N 386.433 2.725 50 50 GFGA O=C(COc1ccccc1Cl)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 1211153 DFUKBPMPFWOVMX-CNHKJKLMSA-N 377.740 2.506 50 50 GFGA O=C(COc1ccc(Cl)cc1)NNC(=S)Nc1ccc2c(c1)OCCO2 6402513 CQMCEHOEFNVZCC-UHFFFAOYSA-N 393.852 2.508 50 50 GFGA N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@H](C(=O)c3ccccc3)N2C=C1 252517574 LVWKLDZQKHREEU-IVAOSVALSA-N 395.418 2.705 50 50 GFGA Cc1cc(Br)ccc1OCC(=O)NNC(=O)NC1CCCCC1 5063650 ZAORNGUTHXTWJJ-UHFFFAOYSA-N 384.274 2.799 50 50 GFGA CCc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 120083879 HNCQFEMETSXRGQ-HNAYVOBHSA-N 379.460 2.620 50 50 GFGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccccc1Cl 4295813 UTCMQFNEARNKCI-AWQFTUOYSA-N 394.656 2.983 50 50 GFGA Cc1ccc(C(=O)N[C@@]2(C(Cl)Cl)NC(c3cccs3)=NC2=O)cc1 1775976173 PABUKNFOJDMVKN-MRXNPFEDSA-N 382.272 2.863 50 50 GFGA O=C(CCl)NC1(C2CCN(C(=O)c3ccccc3-n3cccn3)CC2)CC1 1875384227 MONGMDAMAZIGOC-UHFFFAOYSA-N 386.883 2.612 50 50 GFGA Cc1cc(C(F)(F)F)nn1CC(=O)NNC(=S)Nc1ccc(Cl)cc1 8578595 UJELFSAXQCYYTD-UHFFFAOYSA-N 391.806 2.882 50 50 GFGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 808906 LHUQVBSYWAPUGI-MRXNPFEDSA-N 390.823 2.918 50 50 GFGA CN(C)N1C(N)=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C1CC(C)(C)CC2=O 1080045 BQSYYKXXZAPHMU-GOSISDBHSA-N 380.448 2.628 50 50 GFGA C[C@@]1(C(=O)N[C@H]2C[C@@](CNC(=O)CCl)(c3ccccc3)C2)C[C@@]1(F)Cl 1875383157 JGXBBHSESHEMTI-RUGDWHBFSA-N 387.282 2.873 50 50 GFGA CCOC(=O)c1ccc(NC(=O)NNC(=O)COc2ccc3c(c2)CCC3)cc1 2857123 ZDDZOYCPWZITPW-UHFFFAOYSA-N 397.431 2.584 50 50 GFGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1ccc(Br)cc1 1430913 QNILFSFMHJGDNV-SNVBAGLBSA-N 390.266 2.761 50 50 GFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccccc1Br 4229677 IUZIWYQZVWTBGM-AWQFTUOYSA-N 394.656 2.983 50 50 GFGA O=C(CSc1ccc2ccccc2n1)NNC(=O)c1cccc([N+](=O)[O-])c1 1022113 YTPCOQVSDFNLKU-UHFFFAOYSA-N 382.401 2.696 50 50 GFGA Cc1ccc(OCc2ccccc2C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)cc1 4782901 CWZNTVMKCRWZPX-QZTJIDSGSA-N 393.892 2.708 50 50 GFGA CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@]21C(=O)Nc2ccc(C)cc21 4742348 DLRPIJNSYPDGGN-FQEVSTJZSA-N 395.440 2.866 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(O)cc3)[nH]n2)c(OC)c1 71782665 YLYCZKTYESDODE-CIAFOILYSA-N 380.404 2.954 50 50 GFGA COc1ccc(CN(C(=O)OC(C)(C)C)[C@H](C)c2ccc(B(O)O)cc2)cc1 230552031 QFXAUDGPIUILAN-OAHLLOKOSA-N 385.269 2.873 50 50 GFGA N#Cc1ccc(NNC(=O)c2ccc(CNC(N)=O)cc2)c(C(F)(F)F)c1 799746396 JXGOOEMUGUBBGP-UHFFFAOYSA-N 377.326 2.502 50 50 GFGA CCCCc1ccc(S(=O)(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5041638 IGIGNYWXMMVYKJ-UHFFFAOYSA-N 392.437 2.952 50 50 GFGA COc1cccc([C@@H](OC)C(=O)N2CCC(C3(NC(=O)CCl)CC3)CC2)c1 1875383985 IQJWSZRGLZVDKV-GOSISDBHSA-N 394.899 2.509 50 50 GFGA C[C@H](NC(=O)CCl)[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 1875384547 SGRHESDFTFBKAV-JOYOIKCWSA-N 379.671 2.578 50 50 GFGA O=C(NNC(=O)C(=O)Nc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 2142424 CDDNHRKWFIGWOJ-UHFFFAOYSA-N 385.182 2.924 50 50 GFGA O=C(O)COc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 1187348 KLOHDDXLWDFSEY-DNTJNYDQSA-N 397.214 2.986 50 50 GFGA O=C(NNC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)o1 1121159 IASAZFISZITEQW-UHFFFAOYSA-N 385.199 2.582 50 50 GFGA O=C(CSCc1ccccc1F)NNC(=S)Nc1ccc2c(c1)OCO2 2858105 RTGFCSZQJTUAFV-UHFFFAOYSA-N 393.465 2.805 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 2566360 AYGCKXOJPINGOY-AWQFTUOYSA-N 394.214 2.869 50 50 GFGA O=C(CCl)NC1(C2CCN(C(=O)[C@@H]3CCCC[C@H]3n3cccn3)CC2)CC1 1875384213 MGPZYRWWBKHDML-IAGOWNOFSA-N 392.931 2.741 50 50 GFGA O=C(CCl)N[C@H]1C[C@H](NC(=O)c2ncsc2C(F)(F)F)C12CCC2 1875384118 LQKBDSNCWNUFIQ-YUMQZZPRSA-N 381.807 2.558 50 50 GFGA COc1ccc(C)cc1NC(=O)[C@H](Br)[C@@H](Br)C(=O)O 1751384 WVBFBUAODHGFJK-NXEZZACHSA-N 395.047 2.554 50 50 GFGA C[C@H](Cl)C(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1875363949 FPNDNNDZKRQDOA-NSHDSACASA-N 394.928 2.547 50 50 GFGA Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1coc2ccccc2c1=O 2520081 NSVWTYWBECAYFY-ZVBGSRNCSA-N 383.791 2.844 50 50 GFGA O=C(CNC(=O)c1ccco1)N/N=C/C(Br)=C/c1ccccc1 16134217 VLVIDBDKEPVCHZ-GSUWALONSA-N 376.210 2.547 50 50 GFGA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)N/N=C/c4ccccn4)c(=O)n1c23 199412464 KGHNGSQSHQOWCM-MOSLJXCSSA-N 380.379 2.512 50 50 GFGA O=C(N/N=C/c1ccc(O)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5344757 PBZNFTWIPRPQGC-KGENOOAVSA-N 395.440 2.957 50 50 GFGA C[C@H](NC(=O)CCl)c1ccc(CNC(=O)c2cc(C(F)F)ncn2)cc1 1875384195 LXHKITUATCSQKG-JTQLQIEISA-N 382.798 2.760 50 50 GFGA O=C(CCN(Cc1ccc2c(c1)CCOC2)C(=O)CCl)NC1CCCC1 1875384715 VENGDWLVAXDLDZ-UHFFFAOYSA-N 378.900 2.776 50 50 GFGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 3081171 MGGPYZIBSFVAMA-DNTJNYDQSA-N 395.202 2.782 50 50 GFGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 4230255 TZAGJXYLCFDURH-DNTJNYDQSA-N 395.202 2.782 50 50 GFGA O=C(COc1ccc(F)cc1Cl)NNC(=S)Nc1cccc([N+](=O)[O-])c1 2853180 XWPXNNIDJXNBBD-UHFFFAOYSA-N 398.803 2.784 50 50 GFGA CCOC(=O)c1ccc(NC(=O)NNC(=O)c2cc(Cl)ccc2OC)cc1 2856766 MJBHIISZEVWGMM-UHFFFAOYSA-N 391.811 2.992 50 50 GFGA Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(N)=O)cc1 2520232 UAIWNLGJGWMZDN-DJKKODMXSA-N 376.210 2.979 50 50 GFGA Cc1ccc2c(c1)/C(=N\NC(=O)COc1cccc(Br)c1)C(=O)N2 13475993 NKDXGIABNXAICO-UHFFFAOYSA-N 388.221 2.609 50 50 GFGA CCc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 120084174 HNCQFEMETSXRGQ-DNVCBOLYSA-N 379.460 2.620 50 50 GFGA CCc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 120084325 HNCQFEMETSXRGQ-BEFAXECRSA-N 379.460 2.620 50 50 GFGA O=C(COc1ccc(F)c(Cl)c1)NNC(=S)Nc1ccc2c(c1)OCO2 1118488 UIGHGTFGXQQWHD-UHFFFAOYSA-N 397.815 2.604 50 50 GFGA COCCCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 2852736 UIEKFMILVOMVQX-OAHLLOKOSA-N 387.505 2.653 50 50 GFGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1cccnc1)S(=O)(=O)CC2 1429924 GFSVYASYPYOPFB-QGZVFWFLSA-N 382.420 2.548 50 50 GFGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)c(OC)c2)cc1 4903289 BHUSBKLCFDFRDX-ZROIWOOFSA-N 382.372 2.713 50 50 GFGA Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1C 35839601 HJLGVKBZCAOSDW-RGVLZGJSSA-N 384.392 2.786 50 50 GFGA COC(=O)C1(CI)CCN(C(=O)OC(C)(C)C)CC1 91302698 NOEOEGQDETYVKR-UHFFFAOYSA-N 383.226 2.612 50 50 GFGA CCOc1ccccc1/C=N\NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 32573605 JVOXOTFGDSHJGT-OCKHKDLRSA-N 383.364 2.595 50 50 GFGA COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1O 5173939 NOHKXFJEFFXJRB-CAOOACKPSA-N 394.181 2.835 50 50 GFGA CO[C@](C)(C(=O)N[C@H]1CC[C@H](CNC(=O)CCl)CC1)c1ccccc1F 1875383387 RMYRMQNQEILPMT-NJSLBKSFSA-N 384.879 2.717 50 50 GFGA Cc1ccc(OCC(=O)NNc2nc(-c3ccncc3)no2)c2c1[C@H](C)CC2=O 1875254199 AEJLFGXJDSMNHQ-GFCCVEGCSA-N 393.403 2.652 50 50 GFGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C 4327070 XUPKEONCHOAXIQ-VXLYETTFSA-N 390.237 2.855 50 50 GFGA Cc1cc(Br)cnc1NNC(=O)CN1CCc2sccc2C1 2325754381 CLEUOCSTTRCFEX-UHFFFAOYSA-N 381.299 2.715 50 50 GFGA Cc1cc2c(cc1Br)NC(=O)[C@]21C(C#N)=C(N)Oc2cc(O)ccc21 22781877 CDPWAPBDHXHWCC-SFHVURJKSA-N 398.216 2.788 50 50 GFGA Cc1cc(O)cc(O)c1/C=N\NC(=O)[C@@H]1COc2cc3ccccc3cc2O1 4724285 AFAONWVFDVIKQF-ZZAZVPOUSA-N 378.384 2.850 50 50 GFGA CCOC(=O)N[C@@H](O[C@@H](NC(=O)OCC)C(Cl)Cl)C(Cl)Cl 101012590 BDMJZWRISGTUKC-OCAPTIKFSA-N 386.059 2.755 50 50 GFGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1 59515624 LNCUNBLSKALYOE-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA CCn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1ccccc1 863946 YEYYTARDDRTYRL-RGVLZGJSSA-N 397.460 2.619 50 50 GFGA CCOP(=O)(CCOCCOCCOCCBr)OCC 44960049 WDIGPIACFQMAGX-UHFFFAOYSA-N 377.212 2.697 50 50 GFGA in-vitro COc1ccccc1C1(C(=O)N[C@@H]2C[C@@H](NC(=O)CCl)C23CCC3)CC1 1875384499 QUDWJURIWKKGEB-HZPDHXFCSA-N 376.884 2.509 50 50 GFGA Cn1nc(C(F)(F)F)cc1C(=O)NNC(=S)Nc1cccc(Cl)c1 653669 VKUZFQMKAJOBMI-UHFFFAOYSA-N 377.779 2.724 50 50 GFGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O 36075128 LAJGUSLJKLHMGU-HNNXBMFYSA-N 385.376 2.760 50 50 GFGA COc1ccc(CCNC(=O)/C(C#N)=C\c2cn(-c3ccc(F)cc3)nn2)cc1 2325887520 ZGEKHDUDKNTIMP-VBKFSLOCSA-N 391.406 2.681 50 50 GFGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@H]1c1ccncc1 230187648 ZNEQCVUXICTZHQ-ONTIZHBOSA-O 387.488 2.807 50 50 GFGA C[C@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 5721506 IVCZQKIQHUXADG-VKPPLCHCSA-N 382.170 2.868 50 50 GFGA O=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-c2ccccn2)c1 1535645057 QLXULUNLCRKWRD-UHFFFAOYSA-N 389.383 2.650 50 50 GFGA in-vitro Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccco2)cc1 4259518 VCXSZJOVKNBXMN-LPYMAVHISA-N 390.399 2.929 50 50 GFGA C/C(=N/NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 4504229 JBBKGEYLHJPMMI-VPFVTSKHSA-N 375.472 2.935 50 50 GFGA C=CCc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=N/NC(N)=O 2970462 WXDDRVZXGJFMCR-FYJGNVAPSA-N 384.392 2.783 50 50 GFGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(O)cc1O 4372638 IYXHUTVWYIURPR-NTOSSWPYSA-N 379.210 2.778 50 50 GFGA Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(N)=O)c1 2531428 KMIZOCPJWZOZDP-DJKKODMXSA-N 376.210 2.979 50 50 GFGA CC1(CNC(=O)CCl)CCN(C(=O)C[C@@H]2CCOc3ccccc32)CC1 1875383913 HFEMFMIQGMHLJS-HNNXBMFYSA-N 378.900 2.927 50 50 GFGA C/C(=N/NC(=O)c1ccn(C)n1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 5612508 KKLRJBYLOSCGPM-QRVIBDJDSA-N 379.395 2.966 50 50 GFGA COc1cccc(O[C@@H](C)C(=O)NNC(=S)Nc2ccc(F)cc2F)c1 1121824 JRPLVGCVNCZVBT-JTQLQIEISA-N 381.404 2.759 50 50 GFGA O=C1OC(=O)[C@@H]2[C@H]1[C@@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 1848443943 OEWIFPHHFRBCFH-SOUVJXGZSA-N 382.755 2.545 50 50 GFGA CCCCOc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(OC)cc2)cc1 2532864 WFXSODKCNZJEIK-OEAKJJBVSA-N 383.448 2.754 50 50 GFGA Cc1ccc(NCC(=O)N/N=C\c2ccc(I)o2)cc1 4467701 XFXHTKWNQBWBJN-IUXPMGMMSA-N 383.189 2.755 50 50 GFGA O=S1(=O)C[C@H](Cl)[C@H](/N=C(/NCc2ccco2)C(Cl)(Cl)Cl)C1 4531340 OMWJFZZVWLECQO-DTWKUNHWSA-N 394.107 2.542 50 50 GFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1OC 823018 URQIZBILZMAGSD-OAHLLOKOSA-N 388.420 2.747 50 50 GFGA CC1(C)CC(=O)C2=C(C1)O[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C2N 4125615 SBDUDFDPNVKYKG-SFHVURJKSA-N 383.360 2.774 50 50 GFGA C/C(=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1)c1ccccc1 20102890 LHVVOIXPGCOZMH-HAVVHWLPSA-N 384.911 2.998 50 50 GFGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c1 753439 OVBRVRNJWCNKPQ-QGZVFWFLSA-N 375.384 2.763 50 50 GFGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Br)cc1 2571777 DDCAGJARVDYLSE-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 2571842 PVPYZGNQJZBCPX-QGMBQPNBSA-N 381.175 2.990 50 50 GFGA CCOc1ccc(-c2cc(C(=O)N/N=C3/C(=O)Nc4ccccc43)[nH]n2)cc1 5444593 RNMWUKFIYKZNFZ-UHFFFAOYSA-N 375.388 2.562 50 50 GFGA CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)cc1 1430914 QNILFSFMHJGDNV-JTQLQIEISA-N 390.266 2.761 50 50 GFGA COc1ccccc1[C@H](CNC(=O)c1c(C)nsc1C)NC(=O)CCl 1875383950 HQKJWEFCJPLIRX-ZDUSSCGKSA-N 381.885 2.595 50 50 GFGA CC(C)[C@@H](CCN(C)C(=O)c1nn(C)c2ccc(F)cc12)NC(=O)CCl 1875384065 KXDCWDSOYXYQTE-CQSZACIVSA-N 382.867 2.554 50 50 GFGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 2098235 RTXOKVHXZCVFHB-DEDYPNTBSA-N 384.392 2.863 50 50 GFGA O=C(CCCCCC(=O)N/N=C/c1ccccc1O)N/N=C/c1ccccc1O 13842992 RAMUQHCNMRUSKG-HOFJZWJUSA-N 396.447 2.649 50 50 GFGA O=C(CC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 2673324 QHSPNOITVAUHML-CLVAPQHMSA-N 377.231 2.984 50 50 GFGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc3ccccc23)cc1OC 3162725 SJANCHKWCSVRDL-ZMOGYAJESA-N 391.427 2.737 50 50 GFGA Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)CCl)nn1C(C)(C)C 1875383437 UJAWSPNKEVSGLP-CRAIPNDOSA-N 388.899 2.697 50 50 GFGA C/C(=N\NC(=O)c1ccccn1)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 12468797 ARHYRQLCABVOTK-WWXVOHRASA-N 390.443 2.915 50 50 GFGA Cc1nn([C@H](C)C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] 8680993 HCCWYDIXZZVHDQ-SNVBAGLBSA-N 396.860 2.640 50 50 GFGA COc1cc(F)ccc1NNC(=O)CSCC(=O)Nc1cccc(C)c1 408515025 LKWMNBUGOMHZHN-UHFFFAOYSA-N 377.441 2.958 50 50 GFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)ccc1Cl 2565186 GDXTTZVKKYHIHL-QGMBQPNBSA-N 381.175 2.990 50 50 GFGA Cc1ccc(S(=O)(=O)[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)cc1 828562 OSXGOVNADFZNNV-SNVBAGLBSA-N 379.092 2.820 50 50 GFGA Cc1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 5504485 AUKFPJKUFGYHPE-UHFFFAOYSA-N 388.221 2.609 50 50 GFGA CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NNC(C)(C)C)cc1 5606727 NBASFKAHXOWDBA-CYVLTUHYSA-N 380.492 2.943 50 50 GFGA Cc1ccc(C(=O)N[C@]2(C(Cl)Cl)NC(c3cccs3)=NC2=O)cc1 1775976166 PABUKNFOJDMVKN-INIZCTEOSA-N 382.272 2.863 50 50 GFGA Cc1nnsc1C(=O)N[C@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875384977 ZWZGBYQBAYOCCX-OAHLLOKOSA-N 388.880 2.826 50 50 GFGA C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)c2c1c1ccccc1oc2=O 2868904 FPZSOSAMMYQIGD-HSZRJFAPSA-N 397.390 2.698 50 50 GFGA O=C(CCl)N[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@H]1C(F)(F)F 1875383139 IKSOKWONEANFMZ-GHMZBOCLSA-N 380.819 2.983 50 50 GFGA COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1Br 1226595 NOPNEZDLZGPIMM-LEKRSAHOSA-N 391.221 2.748 50 50 GFGA C[C@@H](NC(=O)CCl)[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 1875384545 SGRHESDFTFBKAV-BXKDBHETSA-N 379.671 2.578 50 50 GFGA N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H](C(=O)c3ccccc3)N2C=C1 252517575 LVWKLDZQKHREEU-MHTWAQMVSA-N 395.418 2.705 50 50 GFGA Cc1c(C2C(C#N)=C(N)SC(N)=C2C#N)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] 19299996 FYIWQLHWNJVWPP-UHFFFAOYSA-N 386.393 2.646 50 50 GFGA C[C@@]1(C(=O)NC[C@H](NC(=O)CCl)c2ccccc2)OCCc2ccccc21 1875384278 NSMRUMUCILAPAP-GHTZIAJQSA-N 386.879 2.687 50 50 GFGA O=C(N/N=C/c1ccco1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1 2520202 BNXFPFAXYLASAE-FYJGNVAPSA-N 376.372 2.621 50 50 GFGA COc1ccc(C(=O)NCC(=O)N/N=C/C(C)=C\c2ccccc2)cc1OC 2544245 GVAIIVJDWNMTKY-IVWXAOQYSA-N 381.432 2.639 50 50 GFGA O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 4229790 QIXNLGUEUXOOCG-ADCWSOHQSA-N 377.429 2.959 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)cc1OC 5295968 WTWBRXAXTXHINA-RGVLZGJSSA-N 395.375 2.766 50 50 GFGA C[C@@H]1CCc2c(C(=O)NCC3(NC(=O)CCl)CCOCC3)csc2C1 1875384433 OYTBJXPOJKAREG-GFCCVEGCSA-N 384.929 2.507 50 50 GFGA Cc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] 668963 FBZURKHDOWPKKK-NSHDSACASA-N 377.784 2.785 50 50 GFGA Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 252443975 IJOFUJDKSGANEQ-BPLDGKMQSA-N 394.855 2.539 50 50 GFGA Cn1c(=O)n(C)c2cc(/C=C(\C#N)c3nn(-c4ccccc4)c(N)c3C#N)ccc21 4713327 WCQWRXYVZMHJGL-XNTDXEJSSA-N 395.426 2.581 50 50 GFGA Cc1cc(O)cc(O)c1/C=N\NC(=O)[C@H]1COc2cc3ccccc3cc2O1 4724286 AFAONWVFDVIKQF-ZREWSDFOSA-N 378.384 2.850 50 50 GFGA O=C(CCl)NC1(CNC(=O)[C@@H]2CCc3ccccc3O2)CCCCCC1 1875383999 IYIHRLPFDDVAPM-KRWDZBQOSA-N 378.900 2.944 50 50 GFGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(OC)c(O)c2)cc1 12579153 KPMUBNAWXMLNCS-FYJGNVAPSA-N 385.420 2.669 50 50 GFGA CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)[C@H](C)Cl)CC1 1875364301 KPRRFTPNKWPIEL-ONIAQPFYSA-N 383.964 2.716 50 50 GFGA COc1nn([C@H](C)C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 2763692 SEBXPAQCTJHAHE-IMAFCELCSA-N 385.302 2.530 50 50 GFGA O=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)c1cccc(Cl)c1O 241124165 JGAPKIZVEHOSNA-UHFFFAOYSA-N 398.912 2.962 50 50 GFGA O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)C(=O)Nc1ccc(F)cc1 4209849 KTBAKPMDWQKAAA-ODCIPOBUSA-N 387.754 2.674 50 50 GFGA CCOC(=O)C1=C(CBr)N(C)C(=O)N[C@H]1c1ccc(OC)cc1 4726754 KMEBBZNBHNEION-AWEZNQCLSA-N 383.242 2.603 50 50 GFGA O=C(CBr)[C@H](Br)Cn1c(=O)sc2ccccc21 8382091 HRSVYKJXZOXNFA-SSDOTTSWSA-N 379.073 2.791 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1 9374281 PICAMTANWMIWLC-CIAFOILYSA-N 378.388 2.636 50 50 GFGA CC(C)(C)OC(=O)N[C@@H](CSSc1ncccc1[N+](=O)[O-])C(=O)O 2526263 OVTLOLNDKQUMRH-QMMMGPOBSA-N 375.428 2.708 50 50 GFGA in-vitro COc1ccc(NC(=S)NNC(=O)CSCc2ccccc2)c(OC)c1 6289568 IIXVTOKWNCZGTE-UHFFFAOYSA-N 391.518 2.955 50 50 GFGA C[C@H]1CCc2cc(F)cc3c(O)c(C(=O)N/N=C/c4cccnc4)c(=O)n1c23 199412428 IHOCIBPVHKGPDJ-MOSLJXCSSA-N 380.379 2.512 50 50 GFGA COC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(OC3CCCC3)cc1)C(C#N)=C(N)O2 1427728 VRONLMMNZOMAFL-SFHVURJKSA-N 394.431 2.665 50 50 GFGA O=C(N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccnc1 1214388 GRAPYQFNWFBWDP-WSDLNYQXSA-N 390.355 2.973 50 50 GFGA N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nn(CCO)c(N)c1C#N 4474694 LHOFHJHNQJHLOG-FMIVXFBMSA-N 390.359 2.562 50 50 GFGA CCOc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)c1O 1193192 YQORQTZFYXZGBC-RGVLZGJSSA-N 384.461 2.920 50 50 GFGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(Cl)cc1 2552995 UQALXQJREVOOTL-AWQFTUOYSA-N 394.656 2.983 50 50 GFGA O=C(O)CCSSCCNC(=O)c1ccc(N2CCCCC2=O)cc1 1875388545 GBGIEEOXRYWSIS-UHFFFAOYSA-N 382.507 2.789 50 50 GFGA Cn1cc(CN(CC(C)(C)c2ccc3c(c2)OCCO3)C(=O)CCl)cn1 1875384536 SATPRAPCDQXXNP-UHFFFAOYSA-N 377.872 2.737 50 50 GFGA COc1ccc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3n2C)c1 1193099 ZESHZZIOAFROTO-RGVLZGJSSA-N 384.461 2.833 50 50 GFGA Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccco2)c1 2520248 SEAVLASFZATDSM-LPYMAVHISA-N 390.399 2.929 50 50 GFGA CCOC(=O)N/N=C(\C)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 6401733 CQILBUXCZQVCSI-RUHRPAAUSA-N 375.425 2.986 50 50 GFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)c(OC)c3)[nH]n2)cc1 9088362 BZMRSSOOGNOLDP-CIAFOILYSA-N 380.404 2.954 50 50 GFGA Cc1ccsc1/C=N/NC(=O)CN1CCN(Cc2ccccc2Cl)CC1 19834402 OGZWEFAXHSSRNG-CIAFOILYSA-N 390.940 2.978 50 50 GFGA O=C(Nc1cccc(Cl)c1)[C@H](Br)[C@H](Br)C(=O)O 1737995 QEIHJPIQNNVBRP-SFYZADRCSA-N 385.439 2.890 50 50 GFGA O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1cn2ccccc2n1 170623530 ROIBBJCYMZIVBT-UHFFFAOYSA-N 379.367 2.985 50 50 GFGA COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c1OC 1427248 JAOPIYONZKZQPX-QGZVFWFLSA-N 389.411 2.774 50 50 GFGA COc1cccc([C@H]2[C@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 20598215 SAKQJHJXXRWSBE-RDJZCZTQSA-N 378.457 2.860 50 50 GFGA O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(O)cc1 1212240 RKOZYJYXVARAPX-UHFFFAOYSA-N 399.628 2.648 50 50 GFGA O=C(N/N=C/c1cc(Br)ccc1O)C(=O)Nc1ccccc1Cl 2566313 LXXSKDUQVSJWLT-QGMBQPNBSA-N 396.628 2.897 50 50 GFGA CC(C)[C@H](CCN(C)C(=O)c1nn(C)c2ccc(F)cc12)NC(=O)CCl 1875384063 KXDCWDSOYXYQTE-AWEZNQCLSA-N 382.867 2.554 50 50 GFGA CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccccc2Cl)C(C#N)=C(N)O1 680173 LPNROPICSCAQOF-MRXNPFEDSA-N 390.823 2.918 50 50 GFGA O=C(CCl)NC[C@@H](NC(=O)c1cccc2c1COCC2)C1CCCCC1 1875383814 FGHJTVQFXWNROE-GOSISDBHSA-N 378.900 2.793 50 50 GFGA COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1Br 1226597 NOPNEZDLZGPIMM-ARFNDINWSA-N 391.221 2.748 50 50 GFGA CN(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 1754221 RYGGJVNMAPQJSF-LSHDLFTRSA-N 393.274 2.940 50 50 GFGA O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1nnc(-c2ccccc2)s1 5903148 LMYVXHXELUBLCY-SRZZPIQSSA-N 390.428 2.775 50 50 GFGA CN1C(=O)/C(=N\NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 18283995 FTZUSZXLZMCFFX-PGMHBOJBSA-N 378.215 2.869 50 50 GFGA N#CC1=C(S)N[C@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@H]1c1ccncc1 245313073 ZNEQCVUXICTZHQ-VWPQPMDRSA-O 387.488 2.807 50 50 GFGA CCOC(=O)[C@H]1C[C@@H]([S@@](=O)c2ccccc2)[C@@H](Cl)C[C@H]1C(=O)OCC 230065014 CMYFIVFGISYXSM-KSOYCYQRSA-N 386.897 2.923 50 50 GFGA CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]n2)c1 730089 HNTSXOPOWREHDZ-CIAFOILYSA-N 380.404 2.954 50 50 GFGA CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1OC 668681 RXDPCZCETPQTGL-HMHKGCENSA-N 387.392 2.920 50 50 GFGA C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCSSCCC(=O)O 1875354988 WJZFWGMWSDEVED-LBPRGKRZSA-N 392.543 2.818 50 50 GFGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c1 1427348 JXERWDPWUIHXCD-GOSISDBHSA-N 389.411 2.774 50 50 GFGA C[C@@H]1CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 4708595 UGPFQMIZZRESQS-ZAMGYDSWSA-N 397.438 2.739 50 50 GFGA O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1nnc(-c2ccccc2)s1 4210534 YQVZINNSFNJXJK-VXLYETTFSA-N 385.836 2.947 50 50 GFGA Cc1ccc(OCc2ccccc2C(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)cc1 4782911 CWZNTVMKCRWZPX-MSOLQXFVSA-N 393.892 2.708 50 50 GFGA O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 5060796 GOFJAIQCRMJNJC-UHFFFAOYSA-N 398.297 2.845 50 50 GFGA CCOc1cc(C(=O)NNc2nc(-c3ccncc3)no2)ccc1OC(F)F 1875254201 CYAMKPQPROETRR-UHFFFAOYSA-N 391.334 2.889 50 50 GFGA O=C(CCl)NC1(C2CCN(C(=O)[C@@H]3CCOc4c(F)cccc43)CC2)CC1 1875384557 SNRPKADALSELMG-OAHLLOKOSA-N 394.874 2.818 50 50 GFGA O=C(CCl)NC1(CNC(=O)c2ncoc2-c2ccon2)CCCCCC1 1875383873 GEOGSBREDSJOBG-UHFFFAOYSA-N 380.832 2.507 50 50 GFGA CCc1c(NC(=O)NNC(=O)Cc2ccncc2)cnn1-c1ccc(Cl)cc1 372831117 MMTMFYRJAOWYOC-UHFFFAOYSA-N 398.854 2.879 50 50 GFGA O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 130488815 XVZOESCOAGMRRO-HSALFYBXSA-N 387.443 2.545 50 50 GFGA O=C(CCl)NCC1(NC(=O)[C@H]2COc3ccc(F)cc3C2)CCCCC1 1875384512 RJFWMEWAPPOPQA-CQSZACIVSA-N 382.863 2.551 50 50 GFGA C[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(O)cc1O 1202127 BSBJSTQCGKSNPY-SVXRXWARSA-N 378.226 2.811 50 50 GFGA COc1ccc(NC(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1 1117498 VKNSRCGHHAAHMN-UHFFFAOYSA-N 391.427 2.784 50 50 GFGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)cc1 2900459 SKNHBZLZGCAJJZ-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA CCc1[nH]nc2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 5130172 MRNPRYUQGCPRRE-HSZRJFAPSA-N 397.438 2.891 50 50 GFGA CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1 2565318 AEKHCVDIDLKAIW-VXLYETTFSA-N 390.237 2.806 50 50 GFGA Cc1noc(C)c1C(C)(C)C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCl 1875383107 GXAIDEYEXDBHIE-CRAIPNDOSA-N 389.883 2.706 50 50 GFGA O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1c(F)cccc1Cl 19833913 RPKIUFZIZRNHIG-YDZHTSKRSA-N 388.874 2.747 50 50 GFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 2566383 CVDLZHBIFINQKW-QGMBQPNBSA-N 381.175 2.990 50 50 GFGA O=C(O)COc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1 4259932 VIYOXIDNKDEAFR-WSDLNYQXSA-N 378.384 2.832 50 50 GFGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c1 4335821 DNTMGRIBENZXNH-LPYMAVHISA-N 377.400 2.946 50 50 GFGA O=C(C[C@H]1Cc2ccccc2O1)NCC1(NC(=O)CCl)CCCCCC1 1875384204 MDCWLQYFUAXYIR-MRXNPFEDSA-N 378.900 2.944 50 50 GFGA COCCOc1ccc(C(=O)NCCSSCCC(=O)O)c(Cl)c1 1875389014 YLECBIXYGKZZJK-UHFFFAOYSA-N 393.914 2.951 50 50 GFGA CCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 2553388 WNPWNGZRNQHIRY-ZMOGYAJESA-N 391.427 2.824 50 50 GFGA CCOc1ccc(/C=N\NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 32573603 DWAWAUXASPMDQG-OCKHKDLRSA-N 383.364 2.595 50 50 GFGA CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2887573 SHEZIPBKMFUYPT-UHFFFAOYSA-N 384.392 2.798 50 50 GFGA COc1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)cc(OC)c1OC 2543367 HYSFLYVBZVURKY-UHFFFAOYSA-N 395.868 2.997 50 50 GFGA CCn1c(SCC(=O)N/N=C(\C)c2cccnc2)nnc1-c1ccccc1 863986 LWCHKDJIFYCYLJ-KGENOOAVSA-N 380.477 2.993 50 50 GFGA O=C(COCC(=O)N/N=C/C=C/c1ccccc1)N/N=C/C=C\c1ccccc1 19898916 WABIMDOQELJJMK-FEPKDDBKSA-N 390.443 2.634 50 50 GFGA NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 1069050 XHNUNZIVMUYEIF-MWLCHTKSSA-N 393.291 2.921 50 50 GFGA O=C(CCl)NCC1(NC(=O)Cn2ccc3ccc(F)cc32)CCCCC1 1875384226 MMUOSHGDKWJFOE-UHFFFAOYSA-N 379.863 2.955 50 50 GFGA O=C(Cc1ccccc1)N/N=C/c1ccc(O)c(I)c1 1229801 WCXBIXAQDWPGJS-LICLKQGHSA-N 380.185 2.690 50 50 GFGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)cc1 9010051 OHTCHPOEDGWCOZ-SRZZPIQSSA-N 377.404 2.635 50 50 GFGA C=CC(=O)N1CCC(C(=O)NN(C)C(=O)OC(C)(C)C)(c2ccccc2)CC1 848219480 DVAFDDVKVPPMTF-UHFFFAOYSA-N 387.480 2.631 50 50 GFGA Cc1cc(OCC(=O)NNC(=O)CCOc2ccccc2)cc(C)c1Cl 1808104 JPXXPWOKCCIDLA-UHFFFAOYSA-N 376.840 2.952 50 50 GFGA COc1cc(Br)c(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC 853967 DSLGSDKMKZYOSM-UWUHSAQLSA-N 395.253 2.668 50 50 GFGA NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)NNc2ccc(Cl)c(F)c2)c1 126962907 VQZWJTDGGAHHTN-UHFFFAOYSA-N 396.202 2.676 50 50 GFGA O=C(O)COc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1 2521710 CTONOBKIYBKMKC-DNTJNYDQSA-N 397.214 2.986 50 50 GFGA COc1ccc(Br)c(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1 2544200 DYZCLJBTNGFTEV-VXLYETTFSA-N 390.237 2.855 50 50 GFGA CCOC(=O)c1ccc(NC(=S)NNC(=O)[C@]2(C)CC2(Cl)Cl)cc1 8682527 SCIBIESWQOCGJL-AWEZNQCLSA-N 390.292 2.765 50 50 GFGA N#C/C(=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1 4453645 WSWPOXHYTPAZEE-GHRIWEEISA-N 388.427 2.865 50 50 GFGA O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1sc2ccccc2c1Cl 229534338 UVYBJWBVCIOOHJ-WTTBSCSTSA-N 390.848 2.839 50 50 GFGA NC(=O)c1cc([N+](=O)[O-])ccc1SSc1ccc([N+](=O)[O-])cc1C(N)=O 34516489 CFTJSJYOPOSYHM-UHFFFAOYSA-N 394.390 2.500 50 50 GFGA O=C(NN(c1ccccc1)[C@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 5447276 ZSAOKDICTJFINC-ILCGBQQYSA-N 388.533 2.928 50 50 GFGA COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(N)=O)cc1 2544052 MDIODOCJEDNNIN-DJKKODMXSA-N 392.209 2.679 50 50 GFGA COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1OC 4494651 LOYNTGJZQUBAKM-OAHLLOKOSA-N 384.436 2.951 50 50 GFGA COc1ccc(-c2n[nH]cc2/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 4631364 FDOBMGKNBBNETF-RGVLZGJSSA-N 379.376 2.686 50 50 GFGA O=C(CC(c1ccccc1)c1ccccc1)NNC(=S)NC[C@H]1CCCO1 5041480 HKGFGIQYYDMRSY-GOSISDBHSA-N 383.517 2.883 50 50 GFGA CCOC(=O)C1=C(c2cc(C)nn2C)OC(N)=C(C#N)[C@H]1c1ccc(C)cc1 2786200 LNFRCFHNPLSFNX-QGZVFWFLSA-N 378.432 2.819 50 50 GFGA Cn1cc(C(=O)NNC(=O)c2ccccc2NCCc2ccc(Cl)cc2)cn1 161249761 QUEIBFDLGWKTKQ-UHFFFAOYSA-N 397.866 2.803 50 50 GFGA C[C@@H](Cl)C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1875363969 GJEHYFAHVXIYQN-CYBMUJFWSA-N 377.872 2.685 50 50 GFGA O=C(N/N=C/c1cccnc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 5344809 XMXLCTVZIKGKSU-KGENOOAVSA-N 380.429 2.646 50 50 GFGA Cc1nnc(SCC(=O)N/N=C/c2cc(Br)cs2)s1 6319493 NALXNPYXQUNVHH-KGVSQERTSA-N 377.314 2.913 50 50 GFGA IC(I)I 6827595 OKJPEAGHQZHRQV-UHFFFAOYSA-N 393.731 2.575 50 50 GFGA world O=C(COc1ccc(Br)cc1)N/N=C/c1ccc2c(c1)OCO2 842173 JITZXAJLNRHRTG-QGMBQPNBSA-N 377.194 2.707 50 50 GFGA Cc1ccc(C(=O)N2[C@@H](C(=O)NN)CS[C@H]2c2ccc(Cl)cc2)cc1 1390196 ZSTIQNBEAHBHFZ-QAPCUYQASA-N 375.881 2.895 50 50 GFGA CCOC(=O)c1ccc(NC(=O)NNC(=O)CCc2ccc(OC)cc2)cc1 6956512 SNBXKCPNOYGZHE-UHFFFAOYSA-N 385.420 2.657 50 50 GFGA C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])o1 12343064 QQPQWJOBBVGHJA-KGENOOAVSA-N 379.372 2.964 50 50 GFGA COC(=O)c1ccc(OCC(=O)NNC(=S)Nc2ccc(Cl)cc2)cc1 2562078 FBDIZHWMSJUFNS-UHFFFAOYSA-N 393.852 2.523 50 50 GFGA O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccccc1)c1ccccc1O 253470664 WRYCFNUYZYSNSJ-KGENOOAVSA-N 396.424 2.924 50 50 GFGA O=C(Oc1ccc(/C=N/NC(=O)c2ccccn2)cc1)c1ccc2c(c1)OCO2 1193034 GKHOKTFORWYQRY-FSJBWODESA-N 389.367 2.793 50 50 GFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC)cc2)cc1 4261264 YCBNCDPRBGSSEW-OEAKJJBVSA-N 383.448 2.754 50 50 GFGA C/C(=N/NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1)c1ccc2c(c1)CCCC2 4504234 JBBKGEYLHJPMMI-ZFGWZWQESA-N 375.472 2.935 50 50 GFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 4260086 XDBYGSULCHBEKJ-LPYMAVHISA-N 398.419 2.654 50 50 GFGA O[C@@]12[C@H](Br)[C@H]3[C@H]4C[C@H]5[C@@H]3[C@H]1C(Br)(Br)[C@H]5[C@@H]42 245227863 WZBOKYFPZUQGLI-CBGOFBLLSA-N 398.920 2.739 50 50 GFGA O=S1(=O)C[C@@H](Cl)[C@@H](/N=C(/NCc2ccco2)C(Cl)(Cl)Cl)C1 4531343 OMWJFZZVWLECQO-BDAKNGLRSA-N 394.107 2.542 50 50 GFGA COc1ccc(C)cc1NC(=S)NNC(=O)[C@@H](C)Oc1ccccc1OC 5041443 RBSWYMNLPXVYPN-CYBMUJFWSA-N 389.477 2.797 50 50 GFGA COc1ccccc1C1(C(=O)N[C@@H]2Cc3ccccc3[C@H]2NC(=O)CCl)CC1 1875383142 IPFZPWDUYSVFAK-YLJYHZDGSA-N 398.890 2.864 50 50 GFGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)C(=O)Nc1cccc2ccccc12 4229220 CMVBALJIJQKESN-YDZHTSKRSA-N 384.395 2.770 50 50 GFGA COc1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1OC 993871 PLDKMQFQBZTNOS-UHFFFAOYSA-N 379.210 2.541 50 50 GFGA CCOC(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@@]12C(=O)Nc1ccccc12 4502649 ZWDDNKYKEGICIU-JOCHJYFZSA-N 387.395 2.575 50 50 GFGA COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1 1230144 VIXUALKKIWWXMV-UHFFFAOYSA-N 375.233 2.625 50 50 GFGA C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)Nc1cccc([N+](=O)[O-])c1 2852490 QFWRGIVQWZWJCH-GFCCVEGCSA-N 384.392 2.704 50 50 GFGA Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/[C@H]3CC=CCC3)CC2)cc1 6275429 PZPVIIZLHMWVOJ-LBSLPOPVSA-N 389.521 2.854 50 50 GFGA C[C@@H]1CCc2cc(F)cc3c(O)c(C(=O)N/N=C/c4ccncc4)c(=O)n1c23 199412312 OEJIFVAJLYMERY-QQUGTJAQSA-N 380.379 2.512 50 50 GFGA CCc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 120084042 HNCQFEMETSXRGQ-KXBFYZLASA-N 379.460 2.620 50 50 GFGA CCOC(=O)/C(C#N)=C\Nc1ccc([N+](=O)[O-])cc1I 209584223 XAYCLMQTTOACRN-FPLPWBNLSA-N 387.133 2.582 50 50 GFGA COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1 252666158 AQSMJEVAVKJJIH-RWMBFGLXSA-N 378.494 2.613 50 50 GFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]n2)cc1 5126085 VHRHEAFTLPQUST-CIAFOILYSA-N 380.404 2.954 50 50 GFGA Cc1ccc(S(=O)(=O)[C@H](NC(=O)CCl)C(Cl)(Cl)Cl)cc1 828561 OSXGOVNADFZNNV-JTQLQIEISA-N 379.092 2.820 50 50 GFGA COc1ccccc1NC(=O)C(=O)N/N=C/c1coc2ccc(Cl)cc2c1=O 2521823 VMFMDMJFQXLRCH-ZVBGSRNCSA-N 399.790 2.544 50 50 GFGA O=C(NNC(=S)NCc1ccc(F)cc1)c1cc(Br)ccc1O 1118511 PFGXZMYMQGYMDL-UHFFFAOYSA-N 398.257 2.603 50 50 GFGA C[C@@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1 5722675 IVCZQKIQHUXADG-PTPOTIKZSA-N 382.170 2.868 50 50 GFGA C[C@@H](NC(=O)CCl)[C@@H]1CCCN(C(=O)C(F)(F)c2ccccc2F)C1 1875384768 WQXJSHGYYPJRCC-VXGBXAGGSA-N 376.806 2.900 50 50 GFGA COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1O 2568421 SXGVOYNOMCHQQF-UFWORHAWSA-N 382.203 2.796 50 50 GFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2892246 RKWXCDQFPVUYMA-AWQFTUOYSA-N 380.282 2.702 50 50 GFGA O=C(Cc1c(F)cccc1Cl)NNC(=S)Nc1ccc2c(c1)OCO2 6402257 NGIBNXFRBHUABZ-UHFFFAOYSA-N 381.816 2.768 50 50 GFGA Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)cc1 253401070 VCTHXIWVBZSBMU-IFYDUGGMSA-N 391.537 2.934 50 50 GFGA C[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NNC(=O)c1cccnn1 883850822 FXBCLHVVRYTXPY-SECBINFHSA-N 380.235 2.757 50 50 GFGA Cc1ccc(C)c(OCCC(=O)N2CC[C@H](C)[C@H](CNC(=O)CCl)C2)c1 1875384003 JCGYYOZLCHFWAX-DOTOQJQBSA-N 380.916 2.912 50 50 GFGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@@H]1c1cccc(O)c1)S(=O)(=O)CC2 4623340 ZONRBDIBCFWQPB-GOSISDBHSA-N 397.431 2.859 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)[nH]n2)cc1 4981767 KRPKVOMRVTUCRW-CIAFOILYSA-N 380.404 2.866 50 50 GFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c(OC)c1OC 5317569 FAVUBPKQMNNMDF-CIAFOILYSA-N 380.404 2.866 50 50 GFGA CCOC(=O)N/N=C(\C)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 6401740 CQILBUXCZQVCSI-FBAKOMQWSA-N 375.425 2.986 50 50 GFGA COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c1OC 8574825 UUQHMEDWRBZNEL-INIZCTEOSA-N 375.384 2.763 50 50 GFGA Cc1cc2c(cc1Br)NC(=O)[C@]21C(C#N)=C(N)Oc2cc(N)ccc21 753093 IABKUISOQXASRJ-SFHVURJKSA-N 397.232 2.664 50 50 GFGA CC1(C)CC(=O)C2=C(C1)O[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C(C#N)=C2N 4125616 SBDUDFDPNVKYKG-GOSISDBHSA-N 383.360 2.774 50 50 GFGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)cc(OC)c1OC 1062035 JPLJFDSVNQOPIT-LLVKDONJSA-N 396.325 2.672 50 50 GFGA Cc1cc(S(=O)(=O)NC[C@@H](NC(=O)CCl)c2ccccc2)c(C)s1 1875384979 ZYCJBGSCBPYZIQ-CQSZACIVSA-N 386.926 2.740 50 50 GFGA CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OCC 854019 NRCSKRYMCQKXHJ-MHWRWJLKSA-N 398.415 2.844 50 50 GFGA COc1cccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c1 4210745 SYBWADZYWDCLNF-SRZZPIQSSA-N 382.445 2.596 50 50 GFGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1OC 4995223 AJCCKNATBGLDIP-CIAFOILYSA-N 380.404 2.954 50 50 GFGA O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@@H]2C2=CC=CC=C1C2Br 101921119 ZMFZXYQHIADPFO-HZPDHXFCSA-N 396.244 2.652 50 50 GFGA CCOC(=O)c1ccc(NC(=S)NNC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 8682528 SCIBIESWQOCGJL-CQSZACIVSA-N 390.292 2.765 50 50 GFGA Cc1ccc(OCc2ccccc2C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 4782874 CWZNTVMKCRWZPX-ZWKOTPCHSA-N 393.892 2.708 50 50 GFGA O=C(COc1ccc2ccccc2c1)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 4963073 YMROEFKMYRVPPO-UHFFFAOYSA-N 390.355 2.599 50 50 GFGA COc1cc(C(=O)N/N=C/c2coc3ccccc3c2=O)cc(OC)c1OC 1208030 UTNQHSMUJZUFMT-UFFVCSGVSA-N 382.372 2.583 50 50 GFGA C=CCNC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1 3086070 NQTCIKCYJPKPEG-LPYMAVHISA-N 382.420 2.862 50 50 GFGA C/C(Cn1nnc2ccccc21)=N\NC(=O)c1cc(Br)ccc1O 5494628 FRXZMQXAKCFNDX-VCHYOVAHSA-N 388.225 2.705 50 50 GFGA O=C(NNS(=O)(=O)c1ccc(Br)cc1)[C@H]1C[C@H]1c1ccccc1 4113474 YRLHXKGBNXZWKX-GJZGRUSLSA-N 395.278 2.562 50 50 GFGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@@H]3c1ccc2c(c1)OCO2 164762421 HXEVOUCKGPICGS-SFHVURJKSA-N 390.351 2.754 50 50 GFGA COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)c1 5130060 NXQURLNDKRLTJL-MRXNPFEDSA-N 375.388 2.707 50 50 GFGA COc1ccc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(OC)cc2OC)cc1 721777 IYIBAHDNJGCPKF-WSDLNYQXSA-N 380.404 2.866 50 50 GFGA CCN(CC)CCCNC(=S)NNC(=O)CC12CC3CC(CC(C3)C1)C2 6400610 AMEBCURCIXPSQB-UHFFFAOYSA-N 380.602 2.820 50 50 GFGA O=C(CCl)N[C@@H]1C[C@H](NC(=O)c2ncsc2C(F)(F)F)C12CCC2 1875384116 LQKBDSNCWNUFIQ-SFYZADRCSA-N 381.807 2.558 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3OC)[nH]n2)cc1 5297721 OSNHLNYTPXFMAW-CIAFOILYSA-N 380.404 2.866 50 50 GFGA CCc1sc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)cc1Br 5949906 KGMDVIXSRBJRNP-UHFFFAOYSA-N 391.287 2.725 50 50 GFGA CCOC(=O)N[C@H](O[C@@H](NC(=O)OCC)C(Cl)Cl)C(Cl)Cl 3130880 BDMJZWRISGTUKC-HTQZYQBOSA-N 386.059 2.755 50 50 GFGA O=C(CN1CCN(Cc2ccccc2Cl)CC1)N/N=C/c1cccc(F)c1 96307075 KVKCIXXKFPDRPR-YDZHTSKRSA-N 388.874 2.747 50 50 GFGA COc1nn([C@@H](C)C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 2763690 SEBXPAQCTJHAHE-YIFSTYHKSA-N 385.302 2.530 50 50 GFGA COc1ccc(/C=N/NC(=O)c2cc(-c3cc(OC)ccc3OC)n[nH]2)cc1 5297316 FTDNITGHJNMLQC-CIAFOILYSA-N 380.404 2.866 50 50 GFGA Cc1ccc(NC(=O)NNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2156133 NIGVAYRXCQYWKV-UHFFFAOYSA-N 388.340 2.978 50 50 GFGA O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)[C@H]1COc2cc3ccccc3cc2O1 5028851 GDOPLXRATJPQKB-BYSCUOHCSA-N 393.355 2.744 50 50 GFGA CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC 8682457 JCWNAGIGYFVMJL-UHFFFAOYSA-N 379.526 2.855 50 50 GFGA CC1(CNC(=O)CCl)CCN(C(=O)C[C@H]2CCOc3ccccc32)CC1 1875383914 HFEMFMIQGMHLJS-OAHLLOKOSA-N 378.900 2.927 50 50 GFGA COc1cc(-n2cccn2)ccc1CN(CC1CCOCC1)C(=O)CCl 1875383651 BNHSBGQMONTBNX-UHFFFAOYSA-N 377.872 2.875 50 50 GFGA CCc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(C(=O)OC)cc3)CC2=O)cc1 1210831 CYWHMCNUNXHLSM-XNQWGTPPSA-N 393.443 2.539 50 50 GFGA Cc1nnc(SCC(=O)N/N=C/c2ccc3c(c2)OCO3)n1-c1ccccc1 694867 WULXUUVLRRZADA-KEBDBYFISA-N 395.444 2.547 50 50 GFGA CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)ccc2O)c1 5291602 YMSMDOFKMLMLRP-GIJQJNRQSA-N 376.210 2.877 50 50 GFGA COc1ccc(NC(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1 2853587 ODKRYGLBLCWSAX-UHFFFAOYSA-N 390.827 2.920 50 50 GFGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cc2ccccc2nc1Cl 2521817 ARNRSBUCZZMFET-SRZZPIQSSA-N 382.807 2.986 50 50 GFGA COc1ccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1OC 946096 UMKFQCAEZQPFRK-RGVLZGJSSA-N 395.375 2.766 50 50 GFGA O=C(Cc1ccccc1Cl)NNC(=S)Nc1ccc2c(c1)OCCO2 6402685 RFYDWMIVXLRLET-UHFFFAOYSA-N 377.853 2.672 50 50 GFGA C[C@]1(C(=O)N/N=C2\C(=O)Nc3cccc(Br)c32)CC1(Cl)Cl 17079866 ZBYYRDSXDIMYJT-GFCCVEGCSA-N 391.052 2.805 50 50 GFGA COC(=O)c1ccccc1NC(=O)NNS(=O)(=O)c1ccc2ccccc2c1 1118154 LRILNUWDROIYTC-UHFFFAOYSA-N 399.428 2.641 50 50 GFGA CC1=C(C#N)[C@@](NC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(=O)N1 5050728 HWYBXKXJYFZHMM-ZDUSSCGKSA-N 378.137 2.952 50 50 GFGA O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1 1226713 XXYXLMBKLBNHHN-CIPMJJFUSA-N 392.371 2.676 50 50 GFGA O=C(Cc1ccccc1)N/N=C/c1cc(I)ccc1O 1229803 BRXRZELAMPOHRH-LICLKQGHSA-N 380.185 2.690 50 50 GFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1OC 823017 URQIZBILZMAGSD-HNNXBMFYSA-N 388.420 2.747 50 50 GFGA CC(=O)N[C@H]1CC[C@@H](CC(=O)NNC(=O)/C=C/c2ccc(C)c(Cl)c2)C1 888095738 ACWXYZGRNZVVFK-DODUIYEKSA-N 377.872 2.504 50 50 GFGA O=C(CCl)NC[C@H](NC(=O)c1csc(C(F)(F)F)n1)C1CCCC1 1875383731 DKQOJQHXUURNDV-VIFPVBQESA-N 383.823 2.806 50 50 GFGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1cccc(O)c1)C(=O)N2C 14923107 RDPGTUKFFOHIIO-RGEXLXHISA-N 388.221 2.574 50 50 GFGA COCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Br)cc1 2082119 PEIZXHSXSZIGHP-HNNXBMFYSA-N 393.237 2.720 50 50 GFGA O=C(CSCc1ccc(F)cc1)NNC(=S)Nc1ccc2c(c1)OCO2 6402421 OQUKMOHINRSORO-UHFFFAOYSA-N 393.465 2.805 50 50 GFGA Cc1ccc(C(=O)N[C@]2(C(Cl)Cl)NC(c3ccccc3)=NC2=O)cc1 825168493 MNNJLHCQGIKEOW-SFHVURJKSA-N 376.243 2.801 50 50 GFGA C[C@@H](NC(=O)CCl)c1ccc(CNC(=O)c2cc(C(F)F)ncn2)cc1 1875384196 LXHKITUATCSQKG-SNVBAGLBSA-N 382.798 2.760 50 50 GFGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1Cl 13922476 JNQXFJSWAUMICR-QGMBQPNBSA-N 381.175 2.990 50 50 GFGA CC(C)(c1ccc(OC[C@@H](O)CO)cc1)c1ccc(OC[C@H](O)CCl)cc1 6693088 HDTYUHNZRYZEEB-MSOLQXFVSA-N 394.895 2.723 50 50 GFGA biogenic,in-vivo O=C(CCl)NC1(CNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 1875383312 OMWACEKBLXIMLN-QZTJIDSGSA-N 392.927 2.981 50 50 GFGA COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccccc3OC)n[nH]2)c1 5297128 AZZQWJSCRWZQGC-CIAFOILYSA-N 380.404 2.866 50 50 GFGA COc1cccc(/C=N/NC(=O)COc2ccc(Br)cc2)c1OC 1212718 YKJXSVOBHNUXPB-VXLYETTFSA-N 393.237 2.995 50 50 GFGA COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 2544288 WJSPRCGFBTXEGC-ZVBGSRNCSA-N 380.231 2.882 50 50 GFGA COc1ccc(CC(=O)N/N=C/c2ccc(I)o2)cc1 1194941 DRQHFFVNTVOHPX-CXUHLZMHSA-N 384.173 2.586 50 50 GFGA C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccc(-n2cnnn2)cc1 6203043 LJTHZPHPOVREIA-KOUDTOEKSA-N 398.854 2.932 50 50 GFGA C/C(=N\NC(=O)c1ccccc1Br)c1ccc(-n2cnnn2)cc1 25762379 YAKAYQZZIWJQDA-YBFXNURJSA-N 385.225 2.579 50 50 GFGA O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccccc2)s1 4210454 KXFBQNFVGZDWLH-VXLYETTFSA-N 385.836 2.947 50 50 GFGA O=C(CCl)NC1(CNC(=O)C(F)(F)c2cscn2)CCCCCC1 1875384590 UNRXDTSUMJHPJC-UHFFFAOYSA-N 379.860 2.799 50 50 GFGA CCNC(=S)NNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2113153 JXVBRPONJKWWIA-UHFFFAOYSA-N 394.456 2.759 50 50 GFGA CCOCCOCC[C@@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1 2333400 DJTBBHNJPHIYAP-IBGZPJMESA-N 376.389 2.897 50 50 GFGA N#C/C(=C\c1ccc[nH]1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 17081686 JIJIUQOSEGNNFP-ZRDIBKRKSA-N 399.457 2.818 50 50 GFGA CCn1c(SCC(=O)N/N=C/c2ccc(C(=O)O)cc2)nc2ccccc21 1477327 QFAFQVXFOFGBLY-RGVLZGJSSA-N 382.445 2.997 50 50 GFGA CCOC(=O)N/N=C(\C)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 6401744 CQILBUXCZQVCSI-PVIYQOPSSA-N 375.425 2.986 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 1211403 NXSWXLKPEHKZLF-XHADFYDMSA-N 399.834 2.630 50 50 GFGA CCOc1ccccc1NC(=O)[C@H](Br)[C@H](Br)C(=O)O 1726714 OTDODIHEKSUFBA-ZJUUUORDSA-N 395.047 2.635 50 50 GFGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/C=C/c1ccccc1 4283150 XLZMJUBOCOUGQI-JPDQMXGXSA-N 386.249 2.994 50 50 GFGA CC(C)[C@@H](CCN(C)C(=O)c1cc2nccnc2cc1F)NC(=O)CCl 1875383593 ALFCNGJROMWXNE-CQSZACIVSA-N 380.851 2.611 50 50 GFGA Cc1cc(C(=O)N[C@@H](CNC(=O)CCl)c2ccc3ccccc3c2)n(C)n1 1875384222 MLYFDAQPOCGUJP-KRWDZBQOSA-N 384.867 2.708 50 50 GFGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccc(O)c(OC)c3)n[nH]2)c1 4981794 XUSBUFCGSVSDCS-SRZZPIQSSA-N 396.403 2.572 50 50 GFGA Cc1cccc[n+]1[C@@H]1[C@H](c2ccccc2)C(C#N)=C(C(=C=N)C#N)N[C@@]1(O)C1CC1 263592101 RSZNXVDRNGQRFL-GMKZXUHWSA-N 396.474 2.785 50 50 GFGA C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cc2c(cc1Cl)OCO2 667440 RDCQDJWVYKEQQB-WHGJXMNKSA-N 391.767 2.895 50 50 GFGA CC(C)=NNC(=O)c1ccn(COc2cc(NN=C(C)C)ccc2[N+](=O)[O-])n1 13960870 GKIKLMSCSDMKRQ-UHFFFAOYSA-N 387.400 2.761 50 50 GFGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc2c(c1)OCO2 25759735 QSSVJMLAOAKACM-QPSGOUHRSA-N 394.214 2.602 50 50 GFGA CC(C)c1ccc(CCC(=O)N2CCO[C@H]([C@H](C)NC(=O)CCl)C2)cc1 1875383748 DMHZQACNFBYMSE-YJBOKZPZSA-N 380.916 2.714 50 50 GFGA COc1ccc(C(=O)N/N=C2\C(=O)Nc3c(C)cc(Br)cc32)cc1 5612570 WTJBNNDUYOVZRD-UHFFFAOYSA-N 388.221 2.852 50 50 GFGA CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Br)c1O 1203263 NXLDXXFGXPSRPY-RPJLVFAOSA-N 393.237 2.737 50 50 GFGA O=C(NNC(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccco1 6251522 PWNQRMINYXHXRS-UHFFFAOYSA-N 375.841 2.809 50 50 GFGA CCOc1ccc(CC(=O)NNC(=S)Nc2ccc(OC)c(OC)c2)cc1 13497333 NXWPTXIEHDNRQT-UHFFFAOYSA-N 389.477 2.663 50 50 GFGA O=C(N/N=C/c1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 6251958 GXLSUQUWMLZVHT-HZHRSRAPSA-N 392.459 2.838 50 50 GFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1Br 752458 CWXZJDLBTIGRCV-CQSZACIVSA-N 389.205 2.938 50 50 GFGA O=C(NNS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc2ncccc2c1 44126781 UDNMNPOXASQEGH-UHFFFAOYSA-N 395.362 2.877 50 50 GFGA N#CC1=C(N)N(c2ccc(F)cc2)C2=C([C@H]1c1ccncc1)S(=O)(=O)CC2 1429908 FOTTVONRPRWVCM-KRWDZBQOSA-N 382.420 2.548 50 50 GFGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)[C@@H]1C[C@H]1c1ccccc1 6951761 PLTUVQIIVUQCPK-UONOGXRCSA-N 386.433 2.725 50 50 GFGA COc1ccccc1/C=N/NC(=O)C(=O)Nc1sc2c(c1C#N)CCCC2 4209643 YLRDKSTWBXJDHQ-SRZZPIQSSA-N 382.445 2.596 50 50 GFGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)c1 3008919 KMSBGBOOSAUNEJ-GIJQJNRQSA-N 376.210 2.552 50 50 GFGA CCOc1ccc(NC(=S)NNC(=O)Cc2ccc(OC)c(OC)c2)cc1 2531706 JIUWZOMUBPIYKJ-UHFFFAOYSA-N 389.477 2.663 50 50 GFGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@@H]3c1ccc([N+](=O)[O-])cc1 22590816 USBJSNNXDZGCEN-KRWDZBQOSA-N 391.339 2.933 50 50 GFGA NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97942930 GUDKAWFKANEZND-UHFFFAOYSA-N 378.088 2.715 50 50 GFGA C[C@H](Cl)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1875364473 NAJNLUJOSHPQMJ-LBPRGKRZSA-N 384.860 2.548 50 50 GFGA O=C(CC(c1ccccc1)c1ccccc1)NNC(=S)NC[C@@H]1CCCO1 5041479 HKGFGIQYYDMRSY-SFHVURJKSA-N 383.517 2.883 50 50 GFGA C/C(=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 15919660 YSXXNGMRMVCISM-DEDYPNTBSA-N 385.376 2.594 50 50 GFGA CCOC(C)(OCC)C(=O)NNC(=O)Nc1ccc(Br)cc1F 225851514 MWGBMPNRZBQJNQ-UHFFFAOYSA-N 392.225 2.530 50 50 GFGA CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4c(F)cccc4F)[C@@H]3[C@H]1CC2 252441174 JBPGDEKLKIFDTA-YMPHWICMSA-N 377.398 2.851 50 50 GFGA Cc1ccc(C(=O)N[C@@]2(C(Cl)Cl)NC(c3ccccc3)=NC2=O)cc1 825168491 MNNJLHCQGIKEOW-GOSISDBHSA-N 376.243 2.801 50 50 GFGA COc1ccccc1[C@@H]1C[C@@H]1C(=O)N/N=c1/nc(-c2cccnc2)[nH]c(C)c1C 128238797 RIKGAEJXTONDNT-ROUUACIJSA-N 389.459 2.833 50 50 GFGA CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C(\C)CCc2ccccc2)cc1 4499507 IRWXNFDJHWORFQ-HZHRSRAPSA-N 381.432 2.927 50 50 GFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1 2568898 LRTFSLNVOSFSKF-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA O=C1Nc2ccccc2/C1=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 5093080 UHOHKSPHPJUMNG-UHFFFAOYSA-N 389.459 2.964 50 50 GFGA COc1cc(/C=N/NC(=O)c2nn(C)cc2Br)ccc1OC(C)C 5522647 HGYUXZZLSKVTDZ-QGMBQPNBSA-N 395.257 2.742 50 50 GFGA C[C@H]1CCCN(C(=O)c2onc3c2CCCC3)[C@H]1CCCNC(=O)CCl 1875384761 WPFRIEIUNAYSQC-BBRMVZONSA-N 381.904 2.929 50 50 GFGA I[C@H]1[C@@H]2[C@H]3[C@H]4[C@H]1[C@H]1[C@H]2[C@@H]3[C@H]1[C@H]4I 254401285 CTOZWVMTSCJSMU-GXDJAIGTSA-N 383.998 2.591 50 50 GFGA O=C(CCl)N[C@@H]1C[C@@H](NC(=O)c2ncsc2C(F)(F)F)C12CCC2 1875384112 LQKBDSNCWNUFIQ-HTQZYQBOSA-N 381.807 2.558 50 50 GFGA COc1ccc(/C=N/NC(=O)c2ccccc2I)cc1O 1233832 RICLHMUOBOEBKG-RQZCQDPDSA-N 396.184 2.769 50 50 GFGA COc1cccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)c1O 2553678 OEWYNIQJIAAOOO-ODCIPOBUSA-N 396.230 2.588 50 50 GFGA O=C(CSc1c(C(=O)O)nc2ccccn12)N/N=C/c1ccc(Cl)cc1 43761237 RRHWGWZVNXXPHP-DJKKODMXSA-N 388.836 2.928 50 50 GFGA CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H](C)Cl)CC1 1875364297 KPRRFTPNKWPIEL-FZCLSBEQSA-N 383.964 2.716 50 50 GFGA O=C(O)[C@H](Br)[C@@H](Br)C(=O)Nc1cccc(Cl)c1 1738000 QEIHJPIQNNVBRP-HTQZYQBOSA-N 385.439 2.890 50 50 GFGA Cc1cccc(OCc2ccc(C(=O)NNC(=S)Nc3cn(C)nc3C)o2)c1 2798635 RDFATKQBYVZYLC-UHFFFAOYSA-N 399.476 2.840 50 50 GFGA CCN(CC)c1ccc(C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)cc1 1117638 KUDZQEGGDCDPRZ-UHFFFAOYSA-N 386.477 2.893 50 50 GFGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(O)cc1O 4372639 IYXHUTVWYIURPR-SVXRXWARSA-N 379.210 2.778 50 50 GFGA Cc1noc2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)N2 2745275 ZIXRJMRPHQOFQO-QFIPXVFZSA-N 383.411 2.935 50 50 GFGA Cc1nn(-c2ccc(F)cc2)cc1C(=O)NCCSSCCC(=O)O 1875389034 ZBWOYGHVKTURDN-UHFFFAOYSA-N 383.470 2.906 50 50 GFGA COc1ccc(/C=N/NC(=O)c2c[nH]nc2-c2cccs2)c(OC)c1OC 6693998 ABUFHESTNHICEO-DJKKODMXSA-N 386.433 2.928 50 50 GFGA COc1cccc(C[C@@]2(C(=O)NNC(=O)Cc3ccccn3)C[C@H]3CC[C@H]2C3)c1 365394448 TUVIMPUYTNTHEX-IUKKYPGJSA-N 393.487 2.829 50 50 GFGA COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1 2532849 KFXNCITUJBYGLH-ZVBGSRNCSA-N 380.231 2.882 50 50 GFGA O=C(N/N=C/c1cccc(Br)c1)c1c(O)c2ccccc2[nH]c1=O 9109631 QYWFPOITRCYTPI-DJKKODMXSA-N 386.205 2.760 50 50 GFGA CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1 19770563 XVLPNIQHLIYJIY-LFVJCYFKSA-N 394.475 2.631 50 50 GFGA COc1cccc([C@@H]2[C@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 19932687 SAKQJHJXXRWSBE-DOTOQJQBSA-N 378.457 2.860 50 50 GFGA O=C(COc1ccc(Br)cc1)N/N=C/c1cccc([N+](=O)[O-])c1 842155 IPRQYIMGWZCICD-RQZCQDPDSA-N 378.182 2.886 50 50 GFGA Cc1n[nH]c2c1[C@H](c1ccccc1I)C(C#N)=C(N)O2 8995710 FQBWBTKXLRVHDG-GFCCVEGCSA-N 378.173 2.541 50 50 GFGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)c1 4995071 VVPRHFVELXITAG-CIAFOILYSA-N 380.404 2.866 50 50 GFGA COc1ccc(OC)c(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 4260925 KSWYGIBREKPXLZ-KEBDBYFISA-N 375.812 2.754 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)n[nH]2)cc1 5125855 IUCRZGXQAUDQQC-CIAFOILYSA-N 378.388 2.636 50 50 GFGA COc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)[nH]n2)c1 8922331 PSVNFNHIEINYLB-CIAFOILYSA-N 380.404 2.866 50 50 GFGA C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCSSCCC(=O)O 1875354987 WJZFWGMWSDEVED-GFCCVEGCSA-N 392.543 2.818 50 50 GFGA O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccccc1Br 4260668 YFAXDDNLKHWGTN-AWQFTUOYSA-N 394.656 2.983 50 50 GFGA COc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1OC 19898248 UBWXRFHBWDLRIY-AERZKKPOSA-N 376.228 2.987 50 50 GFGA COc1cc(/C=N\NC(N)=O)ccc1OC(=O)c1cc(F)c(F)cc1Cl 32123363 OWUXRGPATDVISW-YXSASFKJSA-N 383.738 2.848 50 50 GFGA Cc1c(C(=O)NN=c2nc(-c3ccncc3)[nH]o2)oc2cc3c(cc12)CCC3 1875254217 LXXUQMAFEKBTIT-UHFFFAOYSA-N 375.388 2.854 50 50 GFGA COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(Br)c1 2568387 UTUNNTXVPDCXPV-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 4209411 APOSJOOVQZYLPE-WSDLNYQXSA-N 396.472 2.986 50 50 GFGA O=C(O)COc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1 4702481 GWONEYQESIFFJB-NVMNQCDNSA-N 377.194 2.676 50 50 GFGA O=C(COc1ccc([N+](=O)[O-])cc1)NNC(=O)Nc1cccc(C(F)(F)F)c1 2582176 PRPSFMIFANAOLD-UHFFFAOYSA-N 398.297 2.845 50 50 GFGA O=C(CCl)NC[C@H](NC(=O)c1ncoc1C(F)(F)F)C1CCCCC1 1875383857 FXDBLQCXDOOZNW-JTQLQIEISA-N 381.782 2.727 50 50 GFGA COc1ccc(CCNC(=S)NNC(=O)c2c[nH]c3ccccc23)cc1OC 2851534 TYAOAMDBRIFBOZ-UHFFFAOYSA-N 398.488 2.537 50 50 GFGA O=C(C[n+]1cccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 2897064 LJUQRVWDEHQHIQ-LPYMAVHISA-O 389.391 2.529 50 50 GFGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Br)cc1 2387525 HTZFIWDTURUYJN-YBFXNURJSA-N 390.237 2.937 50 50 GFGA COc1ccc(NC(=S)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 2854528 HWSZTDBXENLPGN-UHFFFAOYSA-N 390.421 2.552 50 50 GFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc(OC2CCCC2)cc1 101633648 PSUNTYCRDLFJLM-GOSISDBHSA-N 380.400 2.672 50 50 GFGA Cc1ccc2c(c1Br)[C@]1(C(=O)N2)C(C#N)=C(N)Oc2cc(N)ccc21 756516 MCTJWFHIIJCCMC-GOSISDBHSA-N 397.232 2.664 50 50 GFGA O=S1(=O)C[C@H](/N=C(/NCc2ccco2)C(Cl)(Cl)Cl)[C@@H](Cl)C1 4531341 OMWJFZZVWLECQO-IUCAKERBSA-N 394.107 2.542 50 50 GFGA Cc1ccc(C(C)C)cc1OCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 4963089 ZXFDBWYPDFVIJD-UHFFFAOYSA-N 396.403 2.878 50 50 GFGA O=C(NNC(=O)c1ccc(Br)s1)Nc1cccc([N+](=O)[O-])c1 2856023 DOXJPXVGHKKNQC-UHFFFAOYSA-N 385.199 2.885 50 50 GFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1I 1229914 VCRBACODIRNBOB-CXUHLZMHSA-N 395.156 2.963 50 50 GFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N2CCCc3cccc1c32 1460204 BWJPNWHWJVDDSU-JOCHJYFZSA-N 375.428 2.584 50 50 GFGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)c1O 2518516 GRAZPNSLWFXARL-UFWORHAWSA-N 382.203 2.796 50 50 GFGA CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1 2932930 ZKKJIQYWHTXKBL-ZBFHGGJFSA-N 379.445 2.630 50 50 GFGA Clc1cc(Cl)c(OC[Si]23OCCN(CCO2)CCO3)c(Cl)c1 195766066 BTCXZUYKBKKNAR-UHFFFAOYSA-N 384.719 2.883 50 50 GFGA O=C(CCl)NC1(CNC(=O)c2ccc(C3=CCCC3)cc2)CCOCC1 1875384516 RKQHZTATVOJRBI-UHFFFAOYSA-N 376.884 2.888 50 50 GFGA Cc1nn([C@@H](C)C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] 8680992 HCCWYDIXZZVHDQ-JTQLQIEISA-N 396.860 2.640 50 50 GFGA COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(N)=C(C#N)[C@@H]1c1cccs1 6659204 UWZZFCBXGPSMNE-OAHLLOKOSA-N 395.440 2.646 50 50 GFGA COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(C)cc1 2571829 VYHPAVOGENIGMT-VXLYETTFSA-N 390.237 2.855 50 50 GFGA O=C(CSCc1ccccc1F)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 4999158 HYRWFGPZIRTXDA-UHFFFAOYSA-N 394.453 2.985 50 50 GFGA COc1ccccc1C1(C(=O)N[C@@H]2C[C@H](NC(=O)CCl)C23CCC3)CC1 1875384500 QUDWJURIWKKGEB-JKSUJKDBSA-N 376.884 2.509 50 50 GFGA Cc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] 668961 FBZURKHDOWPKKK-LLVKDONJSA-N 377.784 2.785 50 50 GFGA CC(C)(C)OC(=O)N[C@@H](C(=O)NCCSSCCC(=O)O)C(C)(C)C 1875354673 LAGDZBXNTRFKOJ-LBPRGKRZSA-N 394.559 2.898 50 50 GFGA CC(C)(C)n1nccc1C(=O)NCc1ccc(CNC(=O)CCl)cc1F 1875384724 VKPDLAKJVYHYBM-UHFFFAOYSA-N 380.851 2.562 50 50 GFGA Cc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCC(=O)Nc1ccccc1 2873379 DYCGEDTVSCWCQA-VXLYETTFSA-N 386.433 2.725 50 50 GFGA O=C(COc1cccc(Br)c1)N/N=C/c1ccccc1[N+](=O)[O-] 1230230 KGYPKAYWUKVFIF-RQZCQDPDSA-N 378.182 2.886 50 50 GFGA Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/C(Cl)=C(\Cl)C(=O)O)o2)n1 2781775 YHLFZOWPQCBRBG-MWIIDBMGSA-N 385.207 2.631 50 50 GFGA COc1ccc(/C=N/NC(=O)CSCC(=O)Nc2ccccc2)cc1OC 2870085 ZGPKGUINTRIREG-RGVLZGJSSA-N 387.461 2.526 50 50 GFGA COc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(Cl)c2C)c(OC)c1 5041374 QTNGHSDRBVMGTL-UHFFFAOYSA-N 399.856 2.681 50 50 GFGA O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)[C@@H]1COc2cc3ccccc3cc2O1 5031441 PYAOXVNKPNGYOL-GIJPEOLDSA-N 393.355 2.744 50 50 GFGA CCOC(=O)NNC(=O)[C@@H]1CCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 225846027 AUXACCZFXCQNIG-AWEZNQCLSA-N 392.843 2.737 50 50 GFGA CCCOc1ccc(-c2cc(C(=O)N/N=C3\C(=O)Nc4ccccc43)n[nH]2)cc1 9270308 LZMVYENRTSIOEL-UHFFFAOYSA-N 389.415 2.952 50 50 GFGA COc1ccc(-n2c(NNC(C)=O)nc3sc4c(c3c2=O)CCCC4)cc1 1204991 RETVFDZIOPXWOD-UHFFFAOYSA-N 384.461 2.798 50 50 GFGA CCOc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc(Cl)c1O 1226613 GELNCYIAVWIUJC-FCASDWRQSA-N 376.796 2.734 50 50 GFGA CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc(Cl)ccc2O)c1O 36206856 QAOYGRFSYDQEIW-QGMBQPNBSA-N 379.756 2.822 50 50 GFGA COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1 252666159 AQSMJEVAVKJJIH-YNEHKIRRSA-N 378.494 2.613 50 50 GFGA COc1cc(F)c([C@H](C)NC(=O)NNC(=O)c2cc(C)oc2C)cc1OC 170626929 PCNJEMYXFUPKHZ-JTQLQIEISA-N 379.388 2.758 50 50 GFGA O=C(CCl)NCC1(NC(=O)c2ccc(F)c3ccccc23)CCOCC1 1875384911 YKSJZTAIRFKAJY-UHFFFAOYSA-N 378.831 2.613 50 50 GFGA CC(=O)Nc1cn2c([N+](=O)[O-])c(C(=O)N/N=C/c3ccc(C)cc3)nc2cc1C 43761218 KUJKWABXUSULKK-AWQFTUOYSA-N 394.391 2.582 50 50 GFGA CC(C)c1ccc(CCC(=O)N2CCO[C@@H]([C@H](C)NC(=O)CCl)C2)cc1 1875383744 DMHZQACNFBYMSE-MAUKXSAKSA-N 380.916 2.714 50 50 GFGA CS(=O)(=O)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799751803 ZGORZNYFPQJBCR-UHFFFAOYSA-N 383.351 2.737 50 50 GFGA O=C(CSc1ccccn1)N/N=C/c1cccc(I)c1 1226796 BROAGTIAQOPHSD-RQZCQDPDSA-N 397.241 2.929 50 50 GFGA C[C@@H](NC(=O)CCl)[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 1875384548 SGRHESDFTFBKAV-SKDRFNHKSA-N 379.671 2.578 50 50 GFGA C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)C(=O)NC1CCCCC1 100539757 SCQQFSRXDVXXHZ-MFKUBSTISA-N 398.507 2.835 50 50 GFGA CC1=C(C#N)[C@]2(C(=O)Nc3ccccc32)C(C(=O)OCc2ccccc2)=C(N)O1 647621 CYAWPIFGHSJJJT-QFIPXVFZSA-N 387.395 2.618 50 50 GFGA COc1ccc(/C=N\NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1COC(C)=O 32465129 RYLOHFPADSSFAT-JMIUGGIZSA-N 385.376 2.739 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1OC 5296035 YWAWQPNMYAZITM-RGVLZGJSSA-N 395.375 2.766 50 50 GFGA COC(=O)CC1=C(C(=O)OC)[C@@H](c2cccc(C(F)(F)F)c2)C(C#N)=C(N)O1 1386748 WJFTYKCHNGRASU-AWEZNQCLSA-N 396.321 2.503 50 50 GFGA O=C(CI)NCCc1ncc(C(F)(F)F)cc1Cl 263640064 VPTZEDHIDSASAQ-UHFFFAOYSA-N 392.546 2.848 50 50 GFGA CCOc1sccc1C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCl 1875383352 QFUIGKZVXSUDNZ-GDBMZVCRSA-N 378.881 2.898 50 50 GFGA CCOc1ccc(NC(=O)[C@@H](Br)[C@@H](Br)C(=O)O)cc1 1739531 LEHYZLMSLRTIHZ-VHSXEESVSA-N 395.047 2.635 50 50 GFGA CC1=C(C)C[C@H](C(=O)NNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)[C@@H](C(=O)O)C1 6033410 YDGQPLKUDJGWBS-SZMVWBNQSA-N 388.464 2.665 50 50 GFGA COc1cccc(/C=N/NC(=O)COc2ccc(Br)cc2)c1O 1498408 UVJQYHHMDCEJOU-GIJQJNRQSA-N 379.210 2.692 50 50 GFGA CC(C)(c1ccc(OC[C@@H](O)CO)cc1)c1ccc(OC[C@@H](O)CCl)cc1 6693089 HDTYUHNZRYZEEB-ROUUACIJSA-N 394.895 2.723 50 50 GFGA biogenic,in-vivo O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(Cl)c(Cl)c1 2571802 KNWRFDPNYWRJFI-FBCYGCLPSA-N 380.187 2.811 50 50 GFGA O=C(N/N=C1\Nc2ccccc2\C1=N\NC(=O)c1ccccc1)c1ccccc1 16102427 UMSJHQZLDPPPMQ-UHFFFAOYSA-N 383.411 2.990 50 50 GFGA CCOc1cc(/C=N/NC(=O)c2c(O)c3ccccc3n(CC)c2=O)ccc1O 299738153 CFHPVAJYDZLHGN-WSDLNYQXSA-N 395.415 2.595 50 50 GFGA C[C@@H](Cl)C(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 1875363742 WRTMDHFHOUCDHX-CQSZACIVSA-N 376.863 2.791 50 50 GFGA O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1sccc1-n1cccc1 3170887 DHOYGLILMXKODG-UHFFFAOYSA-N 381.866 2.816 50 50 GFGA CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)ccc1O 4171044 PQJUKIXSBXOQFF-INIZCTEOSA-N 375.388 2.794 50 50 GFGA CCCn1c(=O)c(C(=O)NNC(=O)c2ccc(C)cc2)c(O)c2ccccc21 100534795 OBUVXCOCHMOFHL-UHFFFAOYSA-N 379.416 2.500 50 50 GFGA CN(C(=O)[C@H]1CCOc2c(F)cccc21)C1CCC(NC(=O)CCl)CC1 1875384907 YJHRSWXCXJANEC-PIMMBPRGSA-N 382.863 2.816 50 50 GFGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1 5583392 HDDXYSDMLYPRCG-QGMBQPNBSA-N 381.175 2.990 50 50 GFGA CC1=C/C(=N/C(=O)CBr)C=C/C1=N\S(=O)(=O)c1ccccc1 18029187 KBZGGWYMBUCHAU-NXGXIAAHSA-N 381.251 2.695 50 50 GFGA CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1 4259762 BUACJJPLUAQJDT-YBFXNURJSA-N 390.237 2.937 50 50 GFGA O=c1nc2n(c3c1CN(C1CCCCC1)CN3)C[C@H](CBr)S2 4717959 NQVUWIQLIRQFAK-NSHDSACASA-N 385.331 2.630 50 50 GFGA O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cccc([N+](=O)[O-])c1 4303370 CMRSFMXXEPQVCW-DNTJNYDQSA-N 395.202 2.782 50 50 GFGA O=C(CSc1ccc(Cl)cc1)NNC(=O)c1ccc(-c2ncn[nH]2)cc1 170598043 GFYIRKGOMIFSOD-UHFFFAOYSA-N 387.852 2.678 50 50 GFGA COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc3c(c2)CCC(=O)N3C)cc1 186859697 PBDBIVKKKIEGSC-RGEXLXHISA-N 389.455 2.870 50 50 GFGA COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1COc1ccc([N+](=O)[O-])cc1 8783168 PFEJGXPNOPJGAJ-SRZZPIQSSA-N 395.375 2.669 50 50 GFGA COC(=O)[C@@](O)([C@H](Cl)C(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2770081 KMOFUONVJMUAIX-KCJUWKMLSA-N 393.667 2.718 50 50 GFGA O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc([N+](=O)[O-])c(Cl)c1 4229631 QCNYNDSCIGJTHD-DNTJNYDQSA-N 395.202 2.782 50 50 GFGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccccc2Cl)C(C#N)=C(N)O1 680172 LPNROPICSCAQOF-INIZCTEOSA-N 390.823 2.918 50 50 GFGA O=C(NNS(=O)(=O)c1ccc(Br)cc1)[C@@H]1C[C@@H]1c1ccccc1 4113477 YRLHXKGBNXZWKX-HUUCEWRRSA-N 395.278 2.562 50 50 GFGA O=C(NNC(=O)c1ccc(Br)cc1)Nc1ccc2c(c1)OCO2 17077310 UKPPOBZDXDCQQG-UHFFFAOYSA-N 378.182 2.644 50 50 GFGA COc1cc([N+](=O)[O-])ccc1NC(=O)NNC(=O)c1ccccc1-n1cccc1 17080777 YZTJBQNJSFYLAL-UHFFFAOYSA-N 395.375 2.861 50 50 GFGA COc1ccc(N[C@H](C)c2nnc(SCC(=O)NN)n2-c2ccccc2)cc1 66324363 ITVDIRHJIJXUOY-CYBMUJFWSA-N 398.492 2.531 50 50 GFGA CC1(CNC(=O)CCl)CCN(C(=O)Cc2cc(F)c(F)cc2F)CC1 1875384783 XFTYLMGWAKMEFW-UHFFFAOYSA-N 376.806 2.630 50 50 GFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1Br 752457 CWXZJDLBTIGRCV-AWEZNQCLSA-N 389.205 2.938 50 50 GFGA Cc1ccccc1C(=O)NNC(=O)c1cccc(I)c1 1230029 IFKAVIWZQIDFKJ-UHFFFAOYSA-N 380.185 2.674 50 50 GFGA CCOC(=O)NNC(=O)[C@H]1CCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 225846044 AUXACCZFXCQNIG-CQSZACIVSA-N 392.843 2.737 50 50 GFGA C[C@@]1(C(=O)N[C@H]2C[C@@](CNC(=O)CCl)(c3ccccc3)C2)C[C@]1(F)Cl 1875383158 JGXBBHSESHEMTI-VIBAHUMZSA-N 387.282 2.873 50 50 GFGA O=C(NNC(=O)[C@H](O)CCc1ccccc1)c1ccc(COc2ccccc2)o1 764615810 DCGCHRGJDJNUEV-LJQANCHMSA-N 394.427 2.613 50 50 GFGA Cc1nn(CC(=O)N2CCC[C@@H](C)[C@H]2CCNC(=O)CCl)c(C)c1Cl 1875384237 MVAKYWHXXSZNFK-BXUZGUMPSA-N 389.327 2.526 50 50 GFGA Cc1nc(-c2ccc(C(=O)NNc3ccc(-n4ccnc4)nn3)cc2)cs1 804957242 QVMRURGTZUYNQI-UHFFFAOYSA-N 377.433 2.851 50 50 GFGA COc1ccccc1C1(C(=O)N[C@H]2C[C@H](NC(=O)CCl)C23CCC3)CC1 1875384498 QUDWJURIWKKGEB-HOTGVXAUSA-N 376.884 2.509 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1 3060020 YNIOGHNTKGEMHL-LPYMAVHISA-N 375.384 2.715 50 50 GFGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)c(C)c1 4229719 KOWZRAZVNBYIJT-RGVLZGJSSA-N 379.445 2.911 50 50 GFGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccc(Cl)c1 1922018 QENOMMQWXQXTKX-AWQFTUOYSA-N 394.656 2.983 50 50 GFGA O=C(O)COc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1 3192665 JFMBPHXSHSXXMD-WSDLNYQXSA-N 378.384 2.832 50 50 GFGA COc1nn([C@H](C)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 675741 WKVAMCXOUMATMX-WTEYRUJWSA-N 386.195 2.818 50 50 GFGA COc1cc(C(=O)NNC(=S)Nc2ccc(Br)cc2)ccc1O 2857038 YMHHPAYCKPNGCT-UHFFFAOYSA-N 396.266 2.795 50 50 GFGA COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c1 1427347 JXERWDPWUIHXCD-SFHVURJKSA-N 389.411 2.774 50 50 GFGA Cc1cc2c(cc1Br)NC(=O)[C@@]21C(C#N)=C(N)Oc2cc(O)ccc21 22781871 CDPWAPBDHXHWCC-GOSISDBHSA-N 398.216 2.788 50 50 GFGA C[C@H](NC(=O)CCl)C1CCN(C(=O)Cc2ccc3c(c2)CCCO3)CC1 1875384108 LNNFYVZARYDMIS-AWEZNQCLSA-N 378.900 2.536 50 50 GFGA O=C(COc1ccc(Br)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1O 4956149 RYFGQFVBZDQZJV-IUXPMGMMSA-N 394.181 2.592 50 50 GFGA COc1cc(OC)c(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c(OC)c1 5126145 PYXQZOJCZYUBEK-CIAFOILYSA-N 380.404 2.866 50 50 GFGA C/C(=N/NC(=O)[C@H](O)c1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1 1200375 AIDZOSHZFXSLRY-FCBDRWCKSA-N 379.338 2.761 50 50 GFGA COc1ccc(NC(=O)NNC(=O)c2ccccc2-n2cccc2)cc1OC 2855643 VSZCJCHWSTWOEN-UHFFFAOYSA-N 380.404 2.961 50 50 GFGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@H]([C@H](OCc4ccccc4)[C@H]1O3)[C@H]2O 257356056 FKYXBQXDVOUFID-HHWBLVPJSA-N 394.540 2.803 50 50 GFGA C/C(=N/NC(=O)c1ccn(C)n1)c1ccc(NC(=O)c2cccc(F)c2)cc1 5455303 QNEKFVQKMBGELS-QRVIBDJDSA-N 379.395 2.966 50 50 GFGA CCOC(=O)N/N=C(\C)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 6401736 CQILBUXCZQVCSI-ZVTJPOEESA-N 375.425 2.986 50 50 GFGA CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1 2445624 SDMNMSWKEZICIU-FYJGNVAPSA-N 385.420 2.669 50 50 GFGA CCc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2=O)cc1 1211562 ILWLJZXXVLKWIL-SVZNOHIVSA-N 380.404 2.660 50 50 GFGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCC)cc2)cc1 2553439 MRXBTWNKUQGZNA-OEAKJJBVSA-N 383.448 2.754 50 50 GFGA N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc(OC2CCCC2)cc1 8748284 PSUNTYCRDLFJLM-SFHVURJKSA-N 380.400 2.672 50 50 GFGA COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1O 2518545 TXUVPODBCPTCLK-UFWORHAWSA-N 382.203 2.796 50 50 GFGA CC(C)n1cc([C@@H]2OCC[C@H]2C(=O)NCCSSCCC(=O)O)cn1 1875389013 YJVRPCHLQBUFPC-HIFRSBDPSA-N 387.527 2.514 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)[nH]n2)cc1OC 5317519 ALUMMSZNPGLCMP-SRZZPIQSSA-N 394.387 2.556 50 50 GFGA CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(OC)c2O)[nH]n1 9110284 QPNMEXLXFSREEO-CIAFOILYSA-N 380.404 2.954 50 50 GFGA Cn1cc(Br)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)n1 675868 SGFLSLPAVQKZRK-NGYBGAFCSA-N 375.148 2.965 50 50 GFGA CCc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(C(=O)OC)cc3)CC2=O)cc1 1210835 CYWHMCNUNXHLSM-ZMPUUUETSA-N 393.443 2.539 50 50 GFGA COc1ccccc1[C@H]1C[C@H]1C(=O)N/N=c1/nc(-c2cccnc2)[nH]c(C)c1C 128238188 RIKGAEJXTONDNT-QZTJIDSGSA-N 389.459 2.833 50 50 GFGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1 842147 YEPXXGIBBZXUCN-RQZCQDPDSA-N 378.182 2.886 50 50 GFGA O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cccc(F)c1 4699395 DOGUBIIVSPYJDH-REZTVBANSA-N 382.145 2.966 50 50 GFGA Cc1cc2ccccc2nc1NNC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 777478949 OPQHXKAIRCOGFF-UHFFFAOYSA-N 393.838 2.993 50 50 GFGA COc1cccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c1O 12362620 LPAURGJYQBNJAO-SNINMWPCSA-N 378.384 2.844 50 50 GFGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3OC)n[nH]2)cc1 5402732 WMYVAVBXIZFTNB-CIAFOILYSA-N 380.404 2.866 50 50 GFGA COC(=O)[C@]12C(=O)Oc3ccc([N+](=O)[O-])cc3[C@H]1[C@]2(C)C(=O)c1ccccc1 5041513 UKNKZORBGHIYAD-BEVDRBHNSA-N 381.340 2.660 50 50 GFGA O=C(NNC(=S)NC[C@@H]1CCCO1)c1sc2cccc(F)c2c1Cl 5041216 PNYQAJAANJXBGL-QMMMGPOBSA-N 387.889 2.982 50 50 GFGA COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2ccncc2)C(C#N)=C(N)O3)c1 8566723 IUBGQRUXJOQAAR-INIZCTEOSA-N 375.388 2.707 50 50 GFGA O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1ccccc1 2207777 HGOIHBWCRRWLPQ-UHFFFAOYSA-N 398.271 2.708 50 50 GFGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1 4335756 SZQQRQZUJSVVHH-ZMOGYAJESA-N 378.432 2.837 50 50 GFGA Cc1ccc(NC(=O)NNC(=O)COc2ccc3c(c2)OCO3)cc1Cl 17077285 HMSVDZDOZZOILX-UHFFFAOYSA-N 377.784 2.609 50 50 GFGA O=C(CCl)NCCc1ccc(CNC(=O)[C@H]2CCCc3scnc32)cc1 1875384001 IYSSXRQGYIUXKN-HNNXBMFYSA-N 391.924 2.777 50 50 GFGA Cc1ccc(C(=O)N2[C@H](C(=O)NN)CS[C@@H]2c2ccc(Cl)cc2)cc1 1390199 ZSTIQNBEAHBHFZ-MAUKXSAKSA-N 375.881 2.895 50 50 GFGA Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)c1C 2898452 WFBOCPASDPVMQA-DJKKODMXSA-N 390.237 2.860 50 50 GFGA C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccncc1 5094742 RTBYLQGPQDKZLH-AXLKIAQESA-N 375.064 2.818 50 50 GFGA Cc1cccc[n+]1[C@@H]1[C@@H](c2ccccc2)C(C#N)=C(C(=C=N)C#N)N[C@]1(O)C1CC1 33646013 RSZNXVDRNGQRFL-QTJGBDASSA-N 396.474 2.785 50 50 GFGA C=CCc1cccc2cc(C(=O)NNC(=O)c3ccc(OC)cc3)c(=O)oc12 1201543 DWFBWMZMXBGMQD-UHFFFAOYSA-N 378.384 2.605 50 50 GFGA CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2C)ccc1O 1193110 UXLQVNAXHAWUOO-RGVLZGJSSA-N 384.461 2.920 50 50 GFGA CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1 4149890 ZKKJIQYWHTXKBL-GOEBONIOSA-N 379.445 2.630 50 50 GFGA CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1O 4360261 NRNRCLPQTOLHFD-KEBDBYFISA-N 375.812 2.842 50 50 GFGA Cc1cccc2c1NC(=O)/C2=N\NC(=O)COc1cccc(Br)c1 18163858 JTWLHWPWAJLMNS-UHFFFAOYSA-N 388.221 2.609 50 50 GFGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)ccc1O 4171045 PQJUKIXSBXOQFF-MRXNPFEDSA-N 375.388 2.794 50 50 GFGA O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21 772632751 XVZOESCOAGMRRO-XUVXKRRUSA-N 387.443 2.545 50 50 GFGA O=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)cc(B(O)O)c1 169744778 HGSQSWSFDZMMLA-UHFFFAOYSA-N 388.841 2.688 50 50 GFGA C[C@H](c1ccc2c(c1)NC(=O)CO2)N(Cc1ccc(CO)cc1)C(=O)CCl 2325893147 KQLIJLDHDKIBFF-CYBMUJFWSA-N 388.851 2.838 50 50 GFGA COc1ccc(N2C[C@@H](C(=O)N/N=C/c3c[nH]c4ccccc34)CC2=O)cc1 1210644 ONRICFVLRAYPPC-XMTZNVEYSA-N 376.416 2.680 50 50 GFGA CCn1c(SCC(=O)N/N=C2/C(=O)Nc3ccccc32)nc2ccccc21 100562865 JVLZKDARFVBSCS-UHFFFAOYSA-N 379.445 2.621 50 50 GFGA O=C(N/N=C\c1cc2c(cc1Cl)OCO2)c1cncc(Br)c1 32666344 ILGIBMVJVLXFAF-DVZOWYKESA-N 382.601 2.990 50 50 GFGA COc1cc(OC)c(/C=N/NC(=O)c2ccccc2O)cc1Br 668239 CISYVFJTYWIKRN-GIJQJNRQSA-N 379.210 2.936 50 50 GFGA COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1 1754216 BHIQFBNJVNDGPA-ZVBGSRNCSA-N 380.231 2.882 50 50 GFGA N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(=O)C[C@@H]1c1ccco1 9108553 BAIIMUCEUKJDEF-NSHDSACASA-N 398.400 2.898 50 50 GFGA Cn1cc([C@H]2OCC[C@H]2CN(CCc2ccccc2F)C(=O)CCl)cn1 1875384261 NFBAIDMLAUPUHA-KXBFYZLASA-N 379.863 2.947 50 50 GFGA COc1ccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c(O)c1 16677678 CCCWHNRBZJFIDX-PHZXFRFISA-N 378.384 2.844 50 50 GFGA O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O 4646696 HNDFDAMWLNJYBK-SXHKOVJKSA-N 392.242 2.679 50 50 GFGA CCn1c(SCC(=O)N/N=C/c2cccn2C)nnc1-c1ccc(OC)cc1 864050 SEANTDVEOMNOJU-UDWIEESQSA-N 398.492 2.555 50 50 GFGA N#CC1=C[C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@@H](C(=O)c3ccccc3)N2C=C1 229892679 LVWKLDZQKHREEU-ANULTFPQSA-N 395.418 2.705 50 50 GFGA CCn1c(SCC(=O)N/N=C/c2ccccc2O)nnc1-c1ccccc1 2327195 LLLKBCPCCPXARG-UDWIEESQSA-N 381.461 2.913 50 50 GFGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1074829 ZYGWBENJKIZGCG-UHFFFAOYSA-N 390.417 2.989 50 50 GFGA O=C(NN(c1ccccc1)[C@@H]1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2 5447275 ZSAOKDICTJFINC-WRUMOOJNSA-N 388.533 2.928 50 50 GFGA Cc1ccc(O[C@H](C)C(=O)NNC(=S)NC(=O)c2ccc(F)cc2)cc1C 6788747 OUWZTDWHGRBIBZ-CYBMUJFWSA-N 389.452 2.546 50 50 GFGA Cc1ccc(OCC(=O)NNc2nc(-c3ccncc3)no2)c2c1[C@@H](C)CC2=O 1875254200 AEJLFGXJDSMNHQ-LBPRGKRZSA-N 393.403 2.652 50 50 GFGA O=C(CC(=O)N/N=C/c1cccc(Cl)c1)N/N=C/c1cccc(Cl)c1 2573631 UJRHHUIJZSLFMR-CLVAPQHMSA-N 377.231 2.984 50 50 GFGA CSc1nc(C)cc(SCC(=O)NNC(=S)Nc2ccccc2)n1 3130344 WWDMNHYNZGXHGO-UHFFFAOYSA-N 379.536 2.617 50 50 GFGA COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nn(CCO)c(N)c1C#N 4503482 ZFIVPZDYTYCRPI-ONNFQVAWSA-N 378.219 2.709 50 50 GFGA COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)cc(OC)c1OC 1062038 JPLJFDSVNQOPIT-NSHDSACASA-N 396.325 2.672 50 50 GFGA CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCC)cc1 2553277 WCWDUXKPSUXBSU-OEAKJJBVSA-N 383.448 2.754 50 50 GFGA COc1ccc(C)cc1NC(=O)[C@@H](Br)[C@H](Br)C(=O)O 1751381 WVBFBUAODHGFJK-UWVGGRQHSA-N 395.047 2.554 50 50 GFGA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(N)=O)N1 1234792 FBOLOMYJXDNTTI-SFHVURJKSA-N 394.456 2.833 50 50 GFGA COc1cc(/C=N/NC(=O)c2cc(-c3ccc(OC)c(OC)c3)n[nH]2)ccc1O 5295992 HBRJRRMEORAAAU-SRZZPIQSSA-N 396.403 2.572 50 50 GFGA Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 754422 ARFKIXZSBQQSQI-KRWDZBQOSA-N 392.433 2.812 50 50 GFGA CSc1nc(NNC(=O)CCC(=O)O)c2c3c(sc2n1)COC(C)(C)C3 2886346 HSZOUCUHOOSIRQ-UHFFFAOYSA-N 396.494 2.572 50 50 GFGA O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1 4229663 QLYYXMGXVONAKB-VXLYETTFSA-N 385.836 2.947 50 50 GFGA COc1cc(C(=O)N[C@]2(C(F)(F)F)C(O)=NC(C)=C2C#N)cc(OC)c1OC 4717997 FYUIEIILGXDSCI-INIZCTEOSA-N 399.325 2.511 50 50 GFGA Cc1ccc(C)c(OCCC(=O)N2CC[C@@H](C)[C@@H](CNC(=O)CCl)C2)c1 1875384006 JCGYYOZLCHFWAX-WBVHZDCISA-N 380.916 2.912 50 50 GFGA COc1cc(CN2CCN(C)[C@@H](c3nccn3C)C2)ccc1OCCCCl 2325734564 ASRHOAOLMAQXFM-QGZVFWFLSA-N 392.931 2.925 50 50 GFGA COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Br)cc1 4335763 WVURLCODLZQRAB-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA CC(C)c1ccc(CCC(=O)N2CCO[C@H]([C@@H](C)NC(=O)CCl)C2)cc1 1875383746 DMHZQACNFBYMSE-QAPCUYQASA-N 380.916 2.714 50 50 GFGA CC(C)[C@H]1OCC[C@H]1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1 225493368 HBYZRLGSDQOGQC-DENIHFKCSA-N 396.487 2.865 50 50 GFGA COc1ccc(CCNC(=O)c2cc3ncc(CCCl)cn3n2)cc1OC 2785228 HSYQEQYHBNUJSI-UHFFFAOYSA-N 388.855 2.500 50 50 GFGA O=C(NNC(=O)c1ccc(Br)s1)Nc1ccc2c(c1)OCO2 17078408 SZBDYVADLQBDRK-UHFFFAOYSA-N 384.211 2.706 50 50 GFGA COc1ccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc1OC 7320488 SPPFOMJFQXGRHH-ZMOGYAJESA-N 391.427 2.737 50 50 GFGA O=C(CSCc1ccccc1)NNC(=S)Nc1ccc([N+](=O)[O-])cc1 6392856 IYRLQWUESSBXOZ-UHFFFAOYSA-N 376.463 2.846 50 50 GFGA CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](C)Cl)CC1 1875364298 KPRRFTPNKWPIEL-LAQRGFTBSA-N 383.964 2.716 50 50 GFGA C[C@@H](NC(=O)CCl)[C@H]1CCCN(C(=O)C(F)(F)c2ccccc2F)C1 1875384765 WQXJSHGYYPJRCC-NEPJUHHUSA-N 376.806 2.900 50 50 GFGA COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1O 939059 BLRJGSMXQQOLIF-GIJQJNRQSA-N 379.210 2.692 50 50 GFGA Cc1cc(C)cc(OCC(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)c1 2853407 XEJMSFDAGOBWHH-UHFFFAOYSA-N 397.475 2.865 50 50 GFGA O=C(CNC(=O)C1CCCCC1)NNC(=O)C(c1ccccc1)c1ccccc1 2872285 QTQHIQBHOGZNFF-UHFFFAOYSA-N 393.487 2.662 50 50 GFGA C[C@H]1CC(=O)C2=C(C1)N(c1cccnc1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 4708593 UGPFQMIZZRESQS-JCQPUDPBSA-N 397.438 2.739 50 50 GFGA Cc1ccc(/C=N/NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 17079997 ZWBPCXNWNHUIBP-IYSPOMMRSA-N 391.518 2.608 50 50 GFGA CN1C(=O)/C(=N/NC(=O)c2ccc(F)cc2)c2cc(Br)ccc21 5648770 RVJWPOHQSRDWLV-XMHGGMMESA-N 376.185 2.699 50 50 GFGA CCOc1cccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1O 946126 QEWXYXUFQIQXIK-RGVLZGJSSA-N 395.375 2.853 50 50 GFGA CCNC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(C(=O)[C@H](C)Cl)C1 1875380384 MZMPXKCUQFCJCM-LSDHHAIUSA-N 388.899 2.955 50 50 GFGA O=C(Nc1ccccc1)Nc1snnc1C(=O)N/N=C/c1ccc(O)cc1 5683976 OXGZAONAEBAMEG-VCHYOVAHSA-N 382.405 2.652 50 50 GFGA Cc1ccc(OCc2ccccc2C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)cc1 4782883 CWZNTVMKCRWZPX-ROUUACIJSA-N 393.892 2.708 50 50 GFGA CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)CCCC(=O)O 5875715 MPENBDPFZBIQNL-LLVKDONJSA-N 377.224 2.553 50 50 GFGA Cc1ccc2c(c1Br)/C(=N/NC(=O)COc1ccccc1)C(=O)N2 17953093 ZHWIJZDMHQDUKJ-UHFFFAOYSA-N 388.221 2.609 50 50 GFGA CN(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1Br 1225260 NJZFTWBBLRPPLQ-GIJQJNRQSA-N 378.226 2.690 50 50 GFGA N#CCC(=O)N/N=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 1185522 JUTMFCMRIGAGRG-FOKLQQMPSA-N 377.379 2.783 50 50 GFGA CC(=O)NCc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799748416 RWXYFJUQICSODS-UHFFFAOYSA-N 376.338 2.970 50 50 GFGA COc1ccccc1[C@H](CNC(=O)[C@H]1Cc2ccc(F)cc21)NC(=O)CCl 1875383959 HSTZQEJYVDDEBC-IRXDYDNUSA-N 390.842 2.687 50 50 GFGA O=C(CCl)NC1(CNC(=O)[C@H]2CCc3ccccc3O2)CCCCCC1 1875384000 IYIHRLPFDDVAPM-QGZVFWFLSA-N 378.900 2.944 50 50 GFGA O=C(O)[C@@H](Br)[C@H](Br)C(=O)Nc1cccc(Cl)c1 1737998 QEIHJPIQNNVBRP-YUMQZZPRSA-N 385.439 2.890 50 50 GFGA CCN1C(=O)/C(=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 100575037 GLFVGOZFHFXXBB-NJNXFGOHSA-N 399.450 2.810 50 50 GFGA CC(C)(C)c1cc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)[nH]n1 2945034 DGJDMYNNFLFQHW-UHFFFAOYSA-N 390.241 2.556 50 50 GFGA COc1cccc([C@H]2[C@@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC 20598214 SAKQJHJXXRWSBE-WBVHZDCISA-N 378.457 2.860 50 50 GFGA Cc1ccc([N+](=O)[O-])cc1NC(=O)NNC(=O)Nc1cc([N+](=O)[O-])ccc1C 2156339 XYLUZDHVCATMKE-UHFFFAOYSA-N 388.340 2.978 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 9046728 PCNJIEIXPBXUTG-RGVLZGJSSA-N 393.359 2.535 50 50 GFGA O=C(O)CCSSCCNC(=O)[C@H]1Cc2cccc(OC(F)F)c2O1 1875388922 VSVXWEQYWIKFRY-LLVKDONJSA-N 393.433 2.564 50 50 GFGA COc1cc(/C=N/NC(=O)CN2CCCCCCC2)cc(Br)c1O 4990861 MBNWYBHMMHRMCK-YBFXNURJSA-N 398.301 2.880 50 50 GFGA C/C(=N/NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 4504238 JBBKGEYLHJPMMI-SZRYAJLDSA-N 375.472 2.935 50 50 GFGA C[C@H]1CC[C@@H]2[C@H](C)[C@H](OC(=O)CCC(=O)O)O[C@H]3O[C@]4(C)CC[C@H]1[C@@]32OO4 2084393507 FIHJKUPKCHIPAT-JIDBNWNYSA-N 384.425 2.602 50 50 GFGA COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2ccncc2)C(C#N)=C(N)O3)c1 8566726 IUBGQRUXJOQAAR-MRXNPFEDSA-N 375.388 2.707 50 50 GFGA NNC(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 1069051 XHNUNZIVMUYEIF-GXSJLCMTSA-N 393.291 2.921 50 50 GFGA O=C(COc1ccc(Br)cc1)N/N=C/c1ccccc1[N+](=O)[O-] 842169 YLDRSABKGNIQAV-RQZCQDPDSA-N 378.182 2.886 50 50 GFGA CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(SC)cc2)cc1 2936441 DWYDGUDLZICSDG-UDWIEESQSA-N 385.445 2.674 50 50 GFGA Nc1ccnc2c([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cnn12 100703635 GUMSHWKEOURALW-UHFFFAOYSA-N 395.426 2.931 50 50 GFGA Cc1cccc(N[C@H](C)c2nnc(SCC(=O)NN)n2-c2ccccc2)c1 34925129 FCAUYPNQTOIQDL-CQSZACIVSA-N 382.493 2.831 50 50 GFGA in-vitro O=C(NNC(=S)NCCc1ccccc1)c1ccc(Br)s1 2851595 QWAVJJBQEUWIDM-UHFFFAOYSA-N 384.324 2.862 50 50 GFGA CCOc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)c1 4229844 VOLNCZWSAQRZPR-SSDVNMTOSA-N 389.839 2.627 50 50 GFGA CCCCCCCCC(=O)NNC(=O)CC(=O)Nc1ccccc1C(=O)O 100669624 JGQSMIXMDYGTAS-UHFFFAOYSA-N 377.441 2.611 50 50 GFGA O=C(CCl)NC1(C2CCN(C(=O)[C@H]3CCCC[C@H]3n3cccn3)CC2)CC1 1875384212 MGPZYRWWBKHDML-DLBZAZTESA-N 392.931 2.741 50 50 GFGA O=C(Cc1c(F)cccc1Cl)NNC(=S)Nc1ccc2c(c1)OCCO2 6402253 WMMPDPKOWOZQKJ-UHFFFAOYSA-N 395.843 2.811 50 50 GFGA O=C(NNC(=O)c1ccccc1I)NC1CCCCC1 1236190 AWEVKLSBPNOQME-UHFFFAOYSA-N 387.221 2.568 50 50 GFGA O=C(NN/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 6240028 JJNCMEHJROTQMK-UHFFFAOYSA-N 379.441 2.757 50 50 GFGA CC(C)(C)OC(=O)NS(=O)(=O)CP(=O)(c1ccccc1)c1ccccc1 100056225 UCMWADAMYQKLQA-UHFFFAOYSA-N 395.417 2.813 50 50 GFGA CCOC(=O)[C@H]1C[C@@H]([S@](=O)c2ccccc2)[C@@H](Cl)C[C@H]1C(=O)OCC 245254845 CMYFIVFGISYXSM-KPHXOYQWSA-N 386.897 2.923 50 50 GFGA C[C@@H](Cl)C(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1875363948 FPNDNNDZKRQDOA-LLVKDONJSA-N 394.928 2.547 50 50 GFGA CCn1c(SCC(=O)N/N=C/c2ccncc2)nnc1-c1ccc(OC)cc1 864030 AIZJDJHUMYXBNN-CIAFOILYSA-N 396.476 2.611 50 50 GFGA C[C@@]1(C(=O)N/N=C2\C(=O)Nc3cccc(Br)c32)CC1(Cl)Cl 17079865 ZBYYRDSXDIMYJT-LBPRGKRZSA-N 391.052 2.805 50 50 GFGA O=C(O)c1ccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)cc1 32614404 MMIMMAVPJCEAAG-VCYKRWNGSA-N 376.368 2.828 50 50 GFGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1 6951757 PLTUVQIIVUQCPK-ZIAGYGMSSA-N 386.433 2.725 50 50 GFGA O=C(C[C@@H]1Cc2ccccc2O1)NCC1(NC(=O)CCl)CCCCCC1 1875384203 MDCWLQYFUAXYIR-INIZCTEOSA-N 378.900 2.944 50 50 GFGA Cc1ccc2sc(C(=O)N3CCCO[C@H](CNC(=O)CCl)C3)cc2c1 1875384929 YPVQWVYWBGXMOF-CQSZACIVSA-N 380.897 2.796 50 50 GFGA COc1cc(NC(=O)NNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC 2142452 KTPOLBSPJDUQPO-UHFFFAOYSA-N 379.800 2.832 50 50 GFGA CC(C)(C)n1cc(CN(Cc2cccc3nsnc23)C(=O)CCl)nn1 1875384198 LYHIVLSRUGWDRJ-UHFFFAOYSA-N 378.889 2.805 50 50 GFGA COc1ccc2c(c1)nc(SCC(=O)N/N=C/c1ccc(N(C)C)cc1)n2C 22033080 NOIGIYBPWDZRGD-CIAFOILYSA-N 397.504 2.890 50 50 GFGA C[C@H]1CCCN(C(=O)c2onc3c2CCCC3)[C@@H]1CCCNC(=O)CCl 1875384764 WPFRIEIUNAYSQC-XJKSGUPXSA-N 381.904 2.929 50 50 GFGA COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c1 1080485 AYIJCVVBGHPNMN-LJQANCHMSA-N 396.491 2.917 50 50 GFGA Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2 1116053 FWCOUCFKOQCGKK-JOCHJYFZSA-N 383.411 2.530 50 50 GFGA CC(C)c1cc(C(=O)NNC(=S)NC[C@H]2CCCO2)c(O)c(C(C)C)c1 2852569 RIKGHRASZQVPRC-CQSZACIVSA-N 379.526 2.927 50 50 GFGA N#Cc1cccc(-c2n[nH]cc2C(=O)NCCSSCCC(=O)O)c1 1875389007 YEYRZGBMCWLDAR-UHFFFAOYSA-N 376.463 2.534 50 50 GFGA C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(OC)c(OC)c(OC)c1 3667183 IQSBRVQEPKLVGY-QGZVFWFLSA-N 386.404 2.523 50 50 GFGA O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c(F)c(F)c(F)c(F)c1F 4991091 NLXRBSILMINIHO-UHFFFAOYSA-N 392.196 2.955 50 50 GFGA COC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)OC)C(O)=N1 8994711 HKHMZZJBLLCJJL-KBPBESRZSA-N 394.836 2.824 50 50 GFGA COc1cc(OC)c(/C=N/NC(=O)CN2CCCCCC2)cc1Br 22780141 FCYVFWTZSMKJLM-YBFXNURJSA-N 398.301 2.792 50 50 GFGA Cn1nc(-c2ccccc2)cc1C(=O)N[C@H](CNC(=O)CCl)C(C)(C)C 1875383784 DWBAWWNLWGBQSN-MRXNPFEDSA-N 376.888 2.587 50 50 GFGA C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)NNC(=S)NCc1ccco1 2857462 LSRIAYMVYUUZFS-JTQLQIEISA-N 387.383 2.761 50 50 GFGA CC(C)(C)[Si](OC[C@@H]1C[C@H](O)CC(=O)O1)(c1ccccc1)c1ccccc1 169835333 DDGWBTMBQOVSJP-ROUUACIJSA-N 384.548 2.630 50 50 GFGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccc(O)cc3O)c2C)cc1 1190058 RCVNUWNPELBIRM-SRZZPIQSSA-N 380.404 2.959 50 50 GFGA O=C(N/N=C/c1cccc(O)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 4231927 KIEVRTXVVDRYSA-KGENOOAVSA-N 395.440 2.957 50 50 GFGA C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1snnc1C 5792583 YAPYEVVGNNAMOP-LZYBPNLTSA-N 381.255 2.938 50 50 GFGA Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 754423 ARFKIXZSBQQSQI-QGZVFWFLSA-N 392.433 2.812 50 50 GFGA COc1ccccc1[C@@H]1C[C@H]1C(=O)N/N=c1/nc(-c2cccnc2)[nH]c(C)c1C 128238597 RIKGAEJXTONDNT-ZWKOTPCHSA-N 389.459 2.833 50 50 GFGA N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)C[C@@H]1c1ccccc1F 9110920 LAJFBCSISKQZFP-LLVKDONJSA-N 388.449 2.993 50 50 GFGA C[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccc(O)cc1O 1202124 BSBJSTQCGKSNPY-NTOSSWPYSA-N 378.226 2.811 50 50 GFGA CN(C(=O)CCc1ccc2c(c1)CCO2)C1CCC(NC(=O)CCl)CC1 1875384510 RITSSTJBKVMVAZ-UHFFFAOYSA-N 378.900 2.679 50 50 GFGA CC1(CNC(=O)CCl)CCN(C(=O)CCc2ccc3c(c2)CCO3)CC1 1875384246 MZTDGJWAQHEYLG-UHFFFAOYSA-N 378.900 2.538 50 50 GFGA O=C(CCl)N[C@H]1C[C@@H](NC(=O)c2ncsc2C(F)(F)F)C12CCC2 1875384114 LQKBDSNCWNUFIQ-JGVFFNPUSA-N 381.807 2.558 50 50 GFGA O=C(CBr)[C@@H](Br)Cn1c(=O)sc2ccccc21 5740046 HRSVYKJXZOXNFA-ZETCQYMHSA-N 379.073 2.791 50 50 GFGA CC1=NN(c2ccccc2)C(=O)[C@]12[C@@H](c1ccccc1)[C@]2(C#N)C(N)=C(C#N)C#N 252470032 NQSUOEFTMHMRMG-WWPVKYPJSA-N 392.422 2.963 50 50 GFGA COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1OC 842161 XEZWFOFSJBYHOK-VXLYETTFSA-N 393.237 2.995 50 50 GFGA O=C(NNC(=S)NC[C@H]1CCCO1)c1sc2cccc(F)c2c1Cl 5041217 PNYQAJAANJXBGL-MRVPVSSYSA-N 387.889 2.982 50 50 GFGA Cc1cccc(OCC(=O)NNC(=O)COc2cc(C)c(Cl)c(C)c2)c1 1750120 NAOWHDGLOVPVKP-UHFFFAOYSA-N 376.840 2.870 50 50 GFGA COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1O 2379917 WHVUMRWTILKTGK-UFWORHAWSA-N 382.203 2.796 50 50 GFGA CCc1ccc(O[C@H](C)C(=O)NNC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 2853483 XMUXQSIRBRIZOJ-GFCCVEGCSA-N 388.449 2.942 50 50 GFGA CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCSSCCC(=O)O)C1CC1 1875389040 ZMFWLGMXFAONTC-LBPRGKRZSA-N 392.543 2.652 50 50 GFGA CCNC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(C(=O)[C@@H](C)Cl)C1 1875380381 MZMPXKCUQFCJCM-CABCVRRESA-N 388.899 2.955 50 50 GFGA C/C(=N/NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1)c1ccc2c(c1)CCCC2 4504245 JBBKGEYLHJPMMI-GSVIHCLBSA-N 375.472 2.935 50 50 GFGA COc1ccccc1C(=O)N/N=C1\C(=O)Nc2c(C)cc(Br)cc21 15018499 AJJNYPXMEQUEGJ-UHFFFAOYSA-N 388.221 2.852 50 50 GFGA Cc1ccc(C)c(OCCC(=O)N2CC[C@@H](C)[C@H](CNC(=O)CCl)C2)c1 1875384004 JCGYYOZLCHFWAX-NVXWUHKLSA-N 380.916 2.912 50 50 GFGA COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)c1 5125795 VELMHCGHYKQBMB-RGVLZGJSSA-N 395.375 2.766 50 50 GFGA COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc(OC)c1OC 6691013 NOVGDXHVCAGIHE-CQSZACIVSA-N 384.436 2.951 50 50 GFGA C[C@H]1c2cc(Cl)cc(Cl)c2CCN1C(=O)NNC(=O)c1cccnn1 883850823 FXBCLHVVRYTXPY-VIFPVBQESA-N 380.235 2.757 50 50 GFGA Cc1ccccc1C(=O)NNC(=O)c1ccc(I)cc1 1230063 FDCUIQRBTYFVFE-UHFFFAOYSA-N 380.185 2.674 50 50 GFGA COc1cccc(C[C@]2(C(=O)NNC(=O)Cc3ccccn3)C[C@H]3CC[C@H]2C3)c1 365394447 TUVIMPUYTNTHEX-BSRJHKFKSA-N 393.487 2.829 50 50 GFGA COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1O 755732 RBHGNWPKQZPIFK-AWEZNQCLSA-N 391.221 2.978 50 50 GFGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 2892428 LNNSBEIAAYKQMA-AWQFTUOYSA-N 380.282 2.702 50 50 GFGA COc1cc(/C=N\NC(=O)C2CCC(C(C)(C)C)CC2)ccc1OCC(N)=O 32573590 UHTRWBPKHZALEH-FMCGGJTJSA-N 389.496 2.862 50 50 GFGA C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 8214489 FIHJKUPKCHIPAT-NKHDUEHSSA-N 384.425 2.602 50 50 GFGA biogenic,world Cc1cc(C(=O)NNC(=S)NCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 2856999 AHVHUMDNTJIOOO-UHFFFAOYSA-N 378.841 2.866 50 50 GFGA Cc1ccc(OCC(=O)N/N=C/c2c[nH]nc2-c2ccccc2)c([N+](=O)[O-])c1 22339986 FJMVGGZPQOPFGN-KEBDBYFISA-N 379.376 2.822 50 50 GFGA COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)c1 4295941 VAZKJNIKFBRMLA-VCHYOVAHSA-N 376.210 2.547 50 50 GFGA CC(C)(C(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCl)c1nccs1 1875383513 WXKJYYCNJUTCPA-UKRRQHHQSA-N 377.897 2.558 50 50 GFGA Cc1cc2c(c(=O)o1)[C@H](c1ccc(OC(=O)c3ccco3)cc1)C(C#N)=C(N)O2 1068175 RMXUALAAIXTJIT-QGZVFWFLSA-N 390.351 2.979 50 50 GFGA CCOC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(CBr)cc1 8873190 OAGPXRDGHWECQV-AWEZNQCLSA-N 392.315 2.838 50 50 GFGA O=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2ccccc2oc1=O 1875383575 ZROUVLXHMXNLRY-VQIMIIECSA-N 396.830 2.544 50 50 GFGA Cc1cccc(N[C@@H](C)c2nnc(SCC(=O)NN)n2-c2ccccc2)c1 34925128 FCAUYPNQTOIQDL-AWEZNQCLSA-N 382.493 2.831 50 50 GFGA in-vitro O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(I)c1 1229160 OOACEDHEZDMSKC-CXUHLZMHSA-N 395.156 2.963 50 50 GFGA CC(C)(C)CNC(=O)c1ccc(C(=O)NNc2nc(-c3ccncc3)no2)cc1 162909703 PJOQHWXILTXIKL-UHFFFAOYSA-N 394.435 2.664 50 50 GFGA COc1ccc(OC)c(/C=N/NC(=O)c2cc[n+](Cc3ccccc3)cc2)c1 1207380 ZLPBKBRHJMTITF-UHFFFAOYSA-O 376.436 2.804 50 50 GFGA CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)C1 239248138 YDGQPLKUDJGWBS-BPQIPLTHSA-N 388.464 2.665 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)c(OC)c1 5402819 WSZAYKUJPYYYBF-RGVLZGJSSA-N 395.375 2.766 50 50 GFGA COC(=O)C[C@]12C[C@H](CCBr)[C@](C)(C(=O)OC)[C@@H]1CC[C@@H]2C=O 257357299 NGDUVTSSOZSRRA-ZWRJDUBHSA-N 389.286 2.745 50 50 GFGA C[C@]1(C(=O)NC[C@@H](NC(=O)CCl)c2ccccc2)OCCc2ccccc21 1875384279 NSMRUMUCILAPAP-NQIIRXRSSA-N 386.879 2.687 50 50 GFGA O=C(COc1ccc(Br)cc1)NNC(=S)Nc1ccccc1 2561638 FVSSKKJILAYCIY-UHFFFAOYSA-N 380.267 2.846 50 50 GFGA COc1ccc(/C=N/NC(=O)c2ccc(Br)o2)c(C(=O)O)c1OC 5030175 IHGFTLVONVNVAU-REZTVBANSA-N 397.181 2.521 50 50 GFGA O=C(NNC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)O)c1ccc(OC2CCCC2)cc1 225587372 OZLPYWOSLSDFOH-DFEHZGFQSA-N 386.448 2.516 50 50 GFGA CCn1c(SCC(=O)N/N=C/c2cccnc2)nnc1-c1ccc(OC)cc1 864022 RFHGVJZIMPWOSE-CIAFOILYSA-N 396.476 2.611 50 50 GFGA CC1=CC(C)(C)N2C(=O)[C@]3(C(C#N)=C(N)Oc4[nH]nc(C)c43)c3cc(C)cc1c32 5490461 DGYDNNYNUKQILA-QFIPXVFZSA-N 387.443 2.941 50 50 GFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(O)(c1ccccc1)c1ccccc1 1083256 BBJFMVRTJNZOPL-PXLXIMEGSA-N 375.384 2.981 50 50 GFGA Cn1cc([C@@H]2OCC[C@@H]2CN(CCc2ccccc2F)C(=O)CCl)cn1 1875384259 NFBAIDMLAUPUHA-DNVCBOLYSA-N 379.863 2.947 50 50 GFGA CCCOc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 19834195 SLLWYUGLYASMND-JJIBRWJFSA-N 394.519 2.743 50 50 GFGA Cc1ccc(O[C@@H](C)C(=O)NNC(=S)NC(=O)c2ccc(F)cc2)cc1C 6788742 OUWZTDWHGRBIBZ-ZDUSSCGKSA-N 389.452 2.546 50 50 GFGA CC1=C(C(=O)OCc2ccccc2)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 705595 HHVWQVZFSIORPU-QFIPXVFZSA-N 387.395 2.618 50 50 GFGA O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1Cl 1229865 DIJCADUBXLUSEQ-UHFFFAOYSA-N 384.175 2.742 50 50 GFGA CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2O[C@H]3O[C@@H]([C@@H]2O)[C@@H](OCc2ccccc2)[C@H]1O3 257356059 FKYXBQXDVOUFID-YUKVWFQKSA-N 394.540 2.803 50 50 GFGA CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1O 2543882 BYZXKYIAVMPTQK-ZMOGYAJESA-N 391.427 2.824 50 50 GFGA COc1ccc(O)c(/C=N/NC(=O)c2ccccc2I)c1 1209179 YNDZDDBEGZEZLZ-RQZCQDPDSA-N 396.184 2.769 50 50 GFGA CCOc1ccccc1NC(=O)[C@@H](Br)[C@@H](Br)C(=O)O 1726717 OTDODIHEKSUFBA-VHSXEESVSA-N 395.047 2.635 50 50 GFGA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)[C@@]1(C)CC1(Cl)Cl 4999187 BTGVHSJQCCCNIF-GFCCVEGCSA-N 393.252 2.505 50 50 GFGA Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccc2c(c1)OCO2 6401643 GVPMFSSCRGJLJN-UHFFFAOYSA-N 389.502 2.975 50 50 GFGA CCCn1c(=O)c(C(=O)NNC(=O)c2cccc(C)c2)c(O)c2ccccc21 100534791 URWJXIITBRAJBC-UHFFFAOYSA-N 379.416 2.500 50 50 GFGA O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)[C@@H]1COc2cc3ccccc3cc2O1 5028854 GDOPLXRATJPQKB-OIQMFWTRSA-N 393.355 2.744 50 50 GFGA O=C(CCl)NC1CC2(CCCCN2C(=O)CCOc2cccc(F)c2)C1 1875383436 UGUCMOUQJLWJOU-UHFFFAOYSA-N 382.863 2.863 50 50 GFGA COC(=O)c1c(NC(=S)NNC(=O)c2ccco2)sc2c1CC[C@H](C)C2 2851206 AANLSLAQVJXVPK-VIFPVBQESA-N 393.490 2.884 50 50 GFGA CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1sc2c(c1C#N)CCCC2 4210300 OGMNPBCDYIHSSP-WSDLNYQXSA-N 396.472 2.986 50 50 GFGA C/C=C/[C@@H]1C[C@H](CC(=O)OCC)O[Si](c2ccccc2)(c2ccccc2)O1 169815704 QWFYBRNLHRWLEZ-FRLAVBKLSA-N 382.532 2.946 50 50 GFGA COc1ccc(CN(C(=O)OC(C)(C)C)[C@@H](C)c2ccc(B(O)O)cc2)cc1 230552068 QFXAUDGPIUILAN-HNNXBMFYSA-N 385.269 2.873 50 50 GFGA COC(=O)c1ccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc1 6792892 WHOWCRUFWJRXCV-ZMOGYAJESA-N 389.411 2.507 50 50 GFGA O=C1OC(=O)[C@@H]2[C@@H]1[C@@H](c1ccc(Cl)cc1)OC21C(=O)c2ccccc2C1=O 1848443942 OEWIFPHHFRBCFH-QLFBSQMISA-N 382.755 2.545 50 50 GFGA C[C@@H](NC(=O)CCl)C1CCN(C(=O)Cc2ccc3c(c2)CCCO3)CC1 1875384111 LNNFYVZARYDMIS-CQSZACIVSA-N 378.900 2.536 50 50 GFGA N#CC1=C(N)N=C(SCC(=O)Nc2ccccc2)[C@@H](C(N)=O)C12CCCCC2 19867462 UPESHMJXDDKGOX-MRXNPFEDSA-N 397.504 2.516 50 50 GFGA C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1cccnc1 6317148 DBNBYOPVTHGJJS-FNQVVVRFSA-N 375.064 2.818 50 50 GFGA O=C(NNc1nccc(N2CCOCC2)n1)C1(c2cccc(Cl)c2)CCC1 155536140 BSNCGEVRTSPTJL-UHFFFAOYSA-N 387.871 2.532 50 50 GFGA CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 12382587 OQWNZFWPXNLNTA-XSFVSMFZSA-N 391.471 2.856 50 50 GFGA COc1ccc([C@H]2C(C#N)=C(SCC(N)=O)NC3=C2C(=O)CC(C)(C)C3)cc1 4977825 VPFZFMPUNIEESX-SFHVURJKSA-N 397.500 2.979 50 50 GFGA COc1ccc(N[C@@H](C)c2nnc(SCC(=O)NN)n2-c2ccccc2)cc1 66324361 ITVDIRHJIJXUOY-ZDUSSCGKSA-N 398.492 2.531 50 50 GFGA O=C(NNS(=O)(=O)c1ccccc1CCl)c1ccc2ccccc2n1 239352617 ACTCFSYHHMMDIF-UHFFFAOYSA-N 375.837 2.597 50 50 GFGA C/C(Cl)=C/Cn1c(SCCCCCl)nc2c1c(=O)[nH]c(=O)n2C 13577212 NITDKHANLGZLFL-UITAMQMPSA-N 377.297 2.677 50 50 GFGA Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1cccs1 2864170 ZMJFJMJKAFAIKF-UHFFFAOYSA-N 386.458 2.661 50 50 GFGA COc1cc(/C=N/NC(=O)c2ccccc2I)ccc1O 668157 ASEURMSBKGTHPL-RQZCQDPDSA-N 396.184 2.769 50 50 GFGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)o1 2520310 XNBFNMMFQLAEHO-LPYMAVHISA-N 390.399 2.929 50 50 GFGA CC(C)(C)OC(=O)NN(Cn1nnc2ccccc21)Cn1nnc2ccccc21 5284096 HLJUGWKIFZGFNU-UHFFFAOYSA-N 394.439 2.533 50 50 GFGA O=C(NNC(=S)NC[C@H]1CCCO1)C1c2ccccc2Oc2ccccc21 1120404 FITYZVOCQVOGAQ-CYBMUJFWSA-N 383.473 2.599 50 50 GFGA C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccc(-n2cnnn2)cc1 25762817 LJTHZPHPOVREIA-CYGNYLSHSA-N 398.854 2.932 50 50 GFGA O[C@@]12[C@H]3[C@@H]4C[C@H]5[C@H]([C@H]4[C@H]1Br)[C@H]2C(Br)(Br)[C@H]53 245227866 WZBOKYFPZUQGLI-UMGAOMQOSA-N 398.920 2.739 50 50 GFGA Cc1cc(Br)c2c(c1)/C(=N/NC(=O)c1ccccc1O)C(=O)N2C 5613594 GECGAPICQKACQF-RGEXLXHISA-N 388.221 2.574 50 50 GFGA O=C(CCl)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2c(s1)CCOC2 1875383091 GICWANLJUJEZAB-RDTXWAMCSA-N 390.892 2.572 50 50 GFGA COC(=O)CC1=C(C(=O)OC)[C@@H](c2cccc3ccccc23)C(C#N)=C(N)O1 1386743 ZOSWTJMSGWYQDK-SFHVURJKSA-N 378.384 2.638 50 50 GFGA Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)s1 1240945 HSEGWKXTLXRBRZ-UFFVCSGVSA-N 385.424 2.531 50 50 GFGA O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Cl)cc(Cl)c1O 4646693 HNDFDAMWLNJYBK-WMZFCMMGSA-N 392.242 2.679 50 50 GFGA COc1ccc(C)cc1NC(=O)[C@H](Br)[C@H](Br)C(=O)O 1751380 WVBFBUAODHGFJK-ZJUUUORDSA-N 395.047 2.554 50 50 GFGA CCc1ccc(O[C@@H](C)C(=O)NNC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 2853482 XMUXQSIRBRIZOJ-LBPRGKRZSA-N 388.449 2.942 50 50 GFGA CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3OC)n[nH]2)ccc1O 4981375 JLVAPXLPTCTVMP-CIAFOILYSA-N 380.404 2.954 50 50 GFGA COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1O 2518531 PHCFODAEBYWRPH-UFWORHAWSA-N 382.203 2.796 50 50 GFGA CCCn1c(=O)c(C(=O)NNC(=O)c2cccc(Cl)c2)c(O)c2ccccc21 100509188 WBXTZMFIHRDCGQ-UHFFFAOYSA-N 399.834 2.845 50 50 GFGA COc1cc2c(cc1OC)CC(=O)N(CCCI)C=C2 22007302 VWPSZWNLEFZFQB-UHFFFAOYSA-N 387.217 2.884 50 50 GFGA biogenic COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3ccccc3OC)[nH]n2)c1 5297319 MHEJFKKDTOHXBU-CIAFOILYSA-N 380.404 2.866 50 50 GFGA C/C(=N\NC(=O)c1cccc(I)c1)c1ccc(O)cc1O 12362516 LNFACJOFPNVPFC-RQZCQDPDSA-N 396.184 2.856 50 50 GFGA CC(C)(C)OC(=O)N[C@H](CC(=O)NCCSSCCC(=O)O)C1CC1 1875389039 ZMFWLGMXFAONTC-GFCCVEGCSA-N 392.543 2.652 50 50 GFGA O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(Br)c1 1203230 USICWDVGUDXXCZ-RQZCQDPDSA-N 378.182 2.886 50 50 GFGA COc1cc(-c2n[nH]c3c2[C@H](c2ccoc2)C(C#N)=C(N)O3)cc(OC)c1OC 5095120 AWAFLGFJOALIQZ-OAHLLOKOSA-N 394.387 2.914 50 50 GFGA O=C(CCl)N[C@@H](CNS(=O)(=O)c1ccccc1Cl)c1ccccc1 1875383903 GQWQESRNKASYGQ-AWEZNQCLSA-N 387.288 2.715 50 50 GFGA COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1OC 1457929 JNJBWBVLOVGJNN-GIJQJNRQSA-N 379.210 2.936 50 50 GFGA Cc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(Cc3ccccc3)CC2)cc1 20403653 NNDIBAKLZNJWHD-HEHNFIMWSA-N 381.501 2.952 50 50 GFGA Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@H]3c1cccc([N+](=O)[O-])c1 3001643 KGFPQYSVROCHBQ-QGZVFWFLSA-N 391.339 2.933 50 50 GFGA C/C(=N\NC(=O)c1ccccn1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 4689398 ARHYRQLCABVOTK-AGDBUHOPSA-N 390.443 2.915 50 50 GFGA C[C@@H](c1ccc2c(c1)NC(=O)CO2)N(Cc1ccc(CO)cc1)C(=O)CCl 2325893148 KQLIJLDHDKIBFF-ZDUSSCGKSA-N 388.851 2.838 50 50 GFGA O=C(NNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1 5041330 AXVCYYHQVDTIGD-UHFFFAOYSA-N 388.218 2.603 50 50 GFGA O=C(CCl)NCCc1ccc(CNC(=O)[C@@H]2CCCc3scnc32)cc1 1875384002 IYSSXRQGYIUXKN-OAHLLOKOSA-N 391.924 2.777 50 50 GFGA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1[N+](=O)[O-] 16671928 ZPWIXBBRNAYNOT-GDNBJRDFSA-N 399.794 2.789 50 50 GFGA CC1=C(C(=O)OCc2ccccc2)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1 705596 HHVWQVZFSIORPU-JOCHJYFZSA-N 387.395 2.618 50 50 GFGA CCc1ccccc1NC(=S)NNC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C 2795516 HWLXCCVWWDVGTK-GFCCVEGCSA-N 390.469 2.549 50 50 GFGA COc1ccc(C)cc1NC(=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 2865012 CUKXGOXEXJTUTC-UHFFFAOYSA-N 383.448 2.701 50 50 GFGA CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)CCCC(=O)O 5875121 MPENBDPFZBIQNL-NSHDSACASA-N 377.224 2.553 50 50 GFGA CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1 808905 LHUQVBSYWAPUGI-INIZCTEOSA-N 390.823 2.918 50 50 GFGA CN(C)N1C(N)=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CC(C)(C)CC2=O 1162727 BPZXTPAKVCWDMA-QGZVFWFLSA-N 381.436 2.808 50 50 GFGA O=C(N/N=C/c1cc(Cl)ccc1O)C(=O)Nc1ccc(Br)cc1 2506462 ABSCKUXONWBKDI-QGMBQPNBSA-N 396.628 2.897 50 50 GFGA O=C(N/N=C/c1ccc2c(c1)OCCO2)C(=O)Nc1cccc2ccccc12 5019052 DZGXERSFTMCXLW-LPYMAVHISA-N 375.384 2.700 50 50 GFGA CCn1c(SCC(=O)N/N=C/c2ccccn2)nnc1-c1ccc(OC)cc1 864040 WHNANNDJEGUTQA-CIAFOILYSA-N 396.476 2.611 50 50 GFGA C[C@]1(C(=O)N[C@H]2C[C@@](CNC(=O)CCl)(c3ccccc3)C2)C[C@@]1(F)Cl 1875383159 JGXBBHSESHEMTI-ZSGPHXLJSA-N 387.282 2.873 50 50 GFGA COC(=O)c1c(NC(=S)NNC(=O)C2CCCCC2)sc2c1CCC2 6735057 FNBJKQWRWGPELL-UHFFFAOYSA-N 381.523 2.921 50 50 GFGA Nc1ccn2ncc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2n1 100297700 MUNGJKMDPNSBGI-UHFFFAOYSA-N 395.426 2.931 50 50 GFGA OB(O)c1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1 253476168 VHGRIGASSFJRBY-UHFFFAOYSA-N 397.243 2.861 50 50 GFGA in-vitro COC(=O)[C@](O)([C@@H](Cl)C(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F 2770084 KMOFUONVJMUAIX-GZMMTYOYSA-N 393.667 2.718 50 50 GFGA O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1 4330322 PWBWGOADQMIOTB-HZHRSRAPSA-N 387.395 2.995 50 50 GFGA CC(C)[C@@H]1OCC[C@@H]1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1 225493457 HBYZRLGSDQOGQC-UGKGYDQZSA-N 396.487 2.865 50 50 GFGA COc1ccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1OC 2851211 UFAREGFEGHCSLG-UHFFFAOYSA-N 393.827 2.897 50 50 GFGA COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])[nH]n2)cc1OC 5125839 DKHPYTOFHFGDHC-RGVLZGJSSA-N 395.375 2.766 50 50 GFGA COc1ccc(OC)c(/C=N/NC(=O)c2ccc[n+](Cc3ccccc3)c2)c1 1199548 NGSOAMWFYFDFCU-OEAKJJBVSA-O 376.436 2.804 50 50 GFGA CN(C(=O)[C@@H]1CCOc2c(F)cccc21)C1CCC(NC(=O)CCl)CC1 1875384909 YJHRSWXCXJANEC-SSDMNJCBSA-N 382.863 2.816 50 50 GFGA COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)c1OC 1194699 OYZKZIGWNKVCIB-RGVLZGJSSA-N 384.461 2.833 50 50 GFGA COC(=O)c1ccncc1C(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl 2571538 TYGQFLGGFSNJMX-UHFFFAOYSA-N 388.733 2.717 50 50 GFGA Cc1ccc(F)c(OCC(=O)N2CCCCC23CC(NC(=O)CCl)C3)c1 1875383412 SMYRDIWLXBOINP-UHFFFAOYSA-N 382.863 2.782 50 50 GFGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1 4230181 OJQMSUKMYCEVBY-QDBSGRMGSA-N 376.796 2.721 50 50 GFGA CCN(CC)c1ccc(/C=N\NC(=O)CSc2nc(C)cc(C)n2)c(O)c1 15722709 VYAYHQMDLCFRMW-JAIQZWGSSA-N 387.509 2.888 50 50 GFGA CCOC(=O)/C(=N\Nc1ccc(Br)cc1)C(=O)CBr 4566395 BFXVJYNSNBLIGQ-WJDWOHSUSA-N 392.047 2.744 50 50 GFGA Cc1n[nH]c2c1[C@@H](c1ccccc1I)C(C#N)=C(N)O2 8995709 FQBWBTKXLRVHDG-LBPRGKRZSA-N 378.173 2.541 50 50 GFGA COCc1[nH]nc2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)O2 4163319 RFVCPMCAMASGQS-GFCCVEGCSA-N 379.189 2.676 50 50 GFGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1cccc(N(C)C)c1 2850938 VKBYAKLUIBYONP-UHFFFAOYSA-N 392.506 2.541 50 50 GFGA O=C(O)c1ccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)cc1 32614402 MMIMMAVPJCEAAG-SNINMWPCSA-N 376.368 2.828 50 50 GFGA CC(C)CNC(=O)c1c2n(c3ccccc3c1=O)C[C@H](CBr)O2 299738193 IIBDGOABRCZKRQ-NSHDSACASA-N 379.254 2.543 50 50 GFGA O=c1nc2n(c3c1CN(C1CCCCC1)CN3)C[C@@H](CBr)S2 4401483 NQVUWIQLIRQFAK-LLVKDONJSA-N 385.331 2.630 50 50 GFGA CCOc1ccc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1 4229745 UVDAHWPTAPAZEL-UDWIEESQSA-N 395.444 2.693 50 50 GFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 3072773 GSVRUSULYQJJEV-QGMBQPNBSA-N 381.175 2.990 50 50 GFGA COc1ccc2c(c1)CCC/C2=N\NC(=O)c1ccc(CN2CCOCC2)cc1 16677488 ZXZHCVXLUNWDIK-ZNTNEXAZSA-N 393.487 2.998 50 50 GFGA CCCCCOC(=O)C1=C(C)O[C@]23OC(N)=C(C#N)[C@]12C(=O)c1ccccc13 4505814 QTVDYIBHIZKRJG-NHCUHLMSSA-N 380.400 2.784 50 50 GFGA COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1OC 4494650 LOYNTGJZQUBAKM-HNNXBMFYSA-N 384.436 2.951 50 50 GFGA COc1cc(/C=N/NC(=O)CCC(=O)Nc2cccc(Cl)c2)ccc1O 5661145 RPJDEDKQBRUPON-RGVLZGJSSA-N 375.812 2.923 50 50 GFGA O=C(CCl)NCC[C@H]1CCCCN1C(=O)Cc1ccc2ncsc2c1 1875383643 BFVZSFNERUBJIC-CQSZACIVSA-N 379.913 2.965 50 50 GFGA COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)ccc1O 2532098 ROVURVUQQJAULK-ODCIPOBUSA-N 396.230 2.588 50 50 GFGA O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1Br 4282471 LSRWOVNCWKJHQM-AWQFTUOYSA-N 394.656 2.983 50 50 GFGA CC(C)(C)OC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 5901483 NZBXTHDOMKXOSA-AWEZNQCLSA-N 379.457 2.678 50 50 GFGA O=C(NN=c1cc[nH]cc1Cl)c1cnc2scc(-c3ccccc3)n2c1=O 1342710766 UIAKALFPEOJAMU-UHFFFAOYSA-N 397.847 2.650 50 50 GFGA COC(=O)N/N=C\c1cc(OC)c(O)c(Br)c1Br 32632334 NOTPJVULLUVXIS-PQMHYQBVSA-N 382.008 2.616 50 50 GFGA COc1ccc(N2C[C@H](C(=O)N/N=C/c3c[nH]c4ccccc34)CC2=O)cc1 1210648 ONRICFVLRAYPPC-CHOFVFFHSA-N 376.416 2.680 50 50 GFGA N=C1NC(=O)[C@H](CC(=O)Nc2ccc(OC(F)(F)[C@@H](F)Cl)cc2)S1 5649544 AULUZGPHYOACPG-GZMMTYOYSA-N 381.763 2.688 50 50 GFGA CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 4231372 KNAFZTXWNWTTJQ-BUVRLJJBSA-N 396.491 2.812 50 50 GFGA COC(=O)C1=C(C(=O)OC)N(c2ccccc2)C(N)=C(C#N)[C@H]1c1cccs1 6659205 UWZZFCBXGPSMNE-HNNXBMFYSA-N 395.440 2.646 50 50 GFGA O=C(CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21)Nc1ccccc1 15774667 GHMTYBHZDQQTJM-DAFNUICNSA-N 398.422 2.806 50 50 GFGA Cc1ccc(S(=O)(=O)N2CC(CBr)(CBr)C2)cc1 100052463 IOQDNRYTTAIWTH-UHFFFAOYSA-N 397.132 2.776 50 50 GFGA in-vitro C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(S(=O)(=O)N(C)C)c1 1875258943 QRCPKYFWSRETBW-XDHOZWIPSA-N 379.869 2.744 50 50 GFGA O=C(CCl)NC1(C2CCN(C(=O)[C@H]3CCOc4c(F)cccc43)CC2)CC1 1875384556 SNRPKADALSELMG-HNNXBMFYSA-N 394.874 2.818 50 50 GFGA C[C@H](NC(=O)CCl)[C@@H]1CCCN(C(=O)C(F)(F)c2ccccc2F)C1 1875384766 WQXJSHGYYPJRCC-NWDGAFQWSA-N 376.806 2.900 50 50 GFGA O=C(CCl)NC[C@H](NC(=O)c1cc2c(s1)CCOC2)C1CCCCC1 1875383864 GAMWOEHHJJJCHG-AWEZNQCLSA-N 384.929 2.855 50 50 GFGA COc1cccc(/C=N/NC(=O)c2cc(-c3cc(OC)ccc3OC)n[nH]2)c1 5125800 NUSCCESHEKPAAT-CIAFOILYSA-N 380.404 2.866 50 50 GFGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2860076 JKCGHGJBBFKJLB-UHFFFAOYSA-N 386.364 2.875 50 50 GFGA O=C(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N/N=C/c1ccccc1F 4828675 GDCTYAOBULOBGI-DNTJNYDQSA-N 393.762 2.659 50 50 GFGA Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)C1[C@@H]2CCCC[C@@H]12 100316827 ILMPHLNZHCSWIC-NXEZZACHSA-N 376.254 2.966 50 50 GFGA O=C(NNC(=O)N1CCCO[C@H]2CCC[C@@H]21)c1ccc(COc2ccccc2)o1 365342416 IDLWJYZQXYOLEJ-ROUUACIJSA-N 399.447 2.856 50 50 GFGA COC(=O)C[C@]12C[C@H](CCBr)[C@](C)(C(=O)OC)[C@@H]1CC[C@H]2C=O 257357297 NGDUVTSSOZSRRA-HLNSEHPISA-N 389.286 2.745 50 50 GFGA COc1ccc(O)c(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1 2521935 FNDCDGDIAOGISJ-UFWORHAWSA-N 382.203 2.796 50 50 GFGA CCc1[nH]nc2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2 4168012 MRNPRYUQGCPRRE-QHCPKHFHSA-N 397.438 2.891 50 50 GFGA C#CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 4454200 XWKYWGPOLXGTIZ-OAHLLOKOSA-N 385.221 2.711 50 50 GFGA COC(=O)[C@]12C(=O)Oc3ccc([N+](=O)[O-])cc3[C@H]1[C@@]2(C)C(=O)c1ccccc1 1120568 UKNKZORBGHIYAD-YSSFQJQWSA-N 381.340 2.660 50 50 GFGA CN1C(=O)/C(=N\NC(=O)c2cccc(F)c2)c2cc(Br)ccc21 5648780 VZBYGXGDGIZZNC-RGEXLXHISA-N 376.185 2.699 50 50 GFGA O=C(N/N=C/c1ccc(Cl)cc1)c1cn2c(Br)cncc2n1 43761210 YBHXDXFAZIWRGN-BLLMUTORSA-N 378.617 2.909 50 50 GFGA Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)[C@H]1CC=CC[C@H]1C(=O)O 252443976 IJOFUJDKSGANEQ-VHDGCEQUSA-N 394.855 2.539 50 50 GFGA COc1ccccc1[C@H](CNC(=O)[C@@H]1Cc2ccc(F)cc21)NC(=O)CCl 1875383960 HSTZQEJYVDDEBC-SJORKVTESA-N 390.842 2.687 50 50 GFGA Cc1nnsc1C(=O)N[C@@H](CNC(=O)CCl)c1ccc2ccccc2c1 1875384976 ZWZGBYQBAYOCCX-HNNXBMFYSA-N 388.880 2.826 50 50 GFGA COc1cc(F)c([C@@H](C)NC(=O)NNC(=O)c2cc(C)oc2C)cc1OC 170626930 PCNJEMYXFUPKHZ-SNVBAGLBSA-N 379.388 2.758 50 50 GFGA COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc(OC)c1OC 1209609 SKILWAHPMRVTAW-CIAFOILYSA-N 380.404 2.866 50 50 GFGA COc1ccc(C)cc1NC(=O)NNC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 2852644 TUJJAKYXYATMJM-GFCCVEGCSA-N 388.380 2.532 50 50 GFGA CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCl)[C@H](c2ccccc2)C1 225514541 QIKFZJHYYFNTOQ-KRWDZBQOSA-N 391.880 2.975 50 50 GFGA NC(=O)N(N)c1nc(N2CCCC2)nc(N(c2ccccc2)c2ccccc2)n1 1080754 UVCFKRNNJVJRBF-UHFFFAOYSA-N 390.451 2.700 50 50 GFGA COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1OC 2568400 WMGBDNNPUHSFNB-LPYMAVHISA-N 377.400 2.946 50 50 GFGA O=C(NNC(=O)c1cnn(-c2ccccc2)c1)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 130488382 XVZOESCOAGMRRO-SLFFLAALSA-N 387.443 2.545 50 50 GFGA CS(=O)(=O)Nc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799750351 FBSIUMDQBMWBEK-UHFFFAOYSA-N 398.366 2.705 50 50 GFGA O=C(NNc1ccc(-n2ccnc2)nn1)Nc1cccc(C#Cc2ccccn2)c1 806264594 OWPTYIYOINSMIG-UHFFFAOYSA-N 396.414 2.606 50 50 GFGA Cc1cccc(-n2cnc(C(=O)NNC(=S)Nc3ccc(Cl)cc3)c2)n1 13571674 LZYDGSHJACEGJF-UHFFFAOYSA-N 386.868 2.861 50 50 GFGA O=C(NNC(=O)[C@@H](O)CCc1ccccc1)c1ccc(COc2ccccc2)o1 764615807 DCGCHRGJDJNUEV-IBGZPJMESA-N 394.427 2.613 50 50 GFGA C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)c2c1c1ccccc1oc2=O 2868905 FPZSOSAMMYQIGD-QHCPKHFHSA-N 397.390 2.698 50 50 GFGA COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1cccc(Br)c1 2521191 ZLWLKUDWDHSXJI-DJKKODMXSA-N 392.209 2.679 50 50 GFGA CCOc1ccccc1NC(=O)[C@H](Br)[C@@H](Br)C(=O)O 1726716 OTDODIHEKSUFBA-NXEZZACHSA-N 395.047 2.635 50 50 GFGA O=C(NNC(=S)Nc1ccc2c(c1)OCO2)c1cc2c(s1)CCCC2 6633503 XGBDNJIBASAZOP-UHFFFAOYSA-N 375.475 2.987 50 50 GFGA CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)C)c32)cc([N+](=O)[O-])c1O 18159178 OVETYWXAMHDRFP-CYBMUJFWSA-N 385.380 2.764 50 50 GFGA COC(=O)c1cc(C)sc1NC(=S)NNC(=O)c1c[nH]c2ccccc12 2851578 NFHWRTVWMVTZKL-UHFFFAOYSA-N 388.474 2.956 50 50 GFGA O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(O)cc1 1226062 KRDZKKRPYGLIHW-GIJQJNRQSA-N 395.200 2.559 50 50 GFGA O=C(Cn1nnc2ccccc21)N/N=C/C(Br)=C/c1ccccc1 19321812 GLQSIRDOXHCRPW-CJCMLQQZSA-N 384.237 2.969 50 50 GFGA Cc1nn([C@H](C)C(=O)N/N=C(\S)Nc2ccc(F)cc2)c(C)c1[N+](=O)[O-] 8671832 UQOBVZLSEJMLAI-SNVBAGLBSA-N 380.405 2.537 50 50 GFGA CCCN1CCC2(CC1)[C@H]1CN(CCC)CC=C1C(C#N)=C(N)C2(C#N)C#N 95202559 CPUBVRGONPOJJL-IBGZPJMESA-N 378.524 2.530 50 50 GFGA CC(C)Cc1nccc(C(=O)N2CCC(C(C)(C)CNC(=O)CCl)CC2)n1 1875384038 JZHJOEPEIAVRBS-UHFFFAOYSA-N 394.947 2.909 50 50 GFGA O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)[C@H]3COc4ccccc4O3)o2)c1 1226735 UQXXCSADSBHOBJ-AZHVYHFMSA-N 392.367 2.935 50 50 GFGA Cc1cc2c(cc1Br)NC(=O)/C2=N/NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 244678859 ILMPHLNZHCSWIC-MSRIBSCDSA-N 376.254 2.966 50 50 GFGA O=C(CCl)N[C@@H]1CN(C(=O)c2ccccc2OC2CCC2)C[C@H]1C1CC1 1875383350 QDMPJZSSLXUSCM-DLBZAZTESA-N 376.884 2.824 50 50 GFGA COc1cc(OC)c(C(=O)N/N=C/c2coc3ccccc3c2=O)cc1OC 20228027 FRWFFZDTZWGYBZ-UFFVCSGVSA-N 382.372 2.583 50 50 GFGA O=C(CCl)NC1(C2CCN(C(=O)Cc3nsc4ccccc34)CC2)CC1 1875383981 IKAMDKAIPLKUHM-UHFFFAOYSA-N 391.924 2.965 50 50 GFGA Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC(CCNC(=O)CCl)CC1)CO2 1875384550 SMADMPSWZNICKA-KRWDZBQOSA-N 378.900 2.763 50 50 GFGA C/C(=N/NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc(Br)cc1 16283392 HFEXGAWCYSOVOL-JAIQZWGSSA-N 387.241 2.658 50 50 GFGA C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1cc2c(cc1Cl)OCO2 667445 RDCQDJWVYKEQQB-OQOREVAYSA-N 391.767 2.895 50 50 GFGA C/C=C/[C@H]1C[C@H](CC(=O)OCC)O[Si](c2ccccc2)(c2ccccc2)O1 169815698 QWFYBRNLHRWLEZ-KUVLTPQXSA-N 382.532 2.946 50 50 GFGA C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100036930 FIHJKUPKCHIPAT-AXFKQHSWSA-N 384.425 2.602 50 50 GFGA biogenic,in-man NNC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 1069046 XHNUNZIVMUYEIF-KOLCDFICSA-N 393.291 2.921 50 50 GFGA O=C(NNS(=O)(=O)c1ccc(Br)cc1)[C@H]1C[C@@H]1c1ccccc1 4113475 YRLHXKGBNXZWKX-CABCVRRESA-N 395.278 2.562 50 50 GFGA COC(=O)c1c(NC(=S)NNC(=O)c2ccccc2C)sc2c1CCC2 6861038 VYKYRDOQXJIABL-UHFFFAOYSA-N 389.502 2.963 50 50 GFGA COCCCNC(=S)NNC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 2852735 UIEKFMILVOMVQX-HNNXBMFYSA-N 387.505 2.653 50 50 GFGA O=C(Oc1cccc(/C=N/NC(=O)c2ccccn2)c1)c1ccc([N+](=O)[O-])cc1 1215704 HIUXJJIBCVGKFM-LPYMAVHISA-N 390.355 2.973 50 50 GFGA Cc1nn(CCC(=O)NN=C2CC(C)(C)NC(C)(C)C2)cc1Br 6921654 TTYCHGSSQKEYNZ-UHFFFAOYSA-N 384.322 2.757 50 50 GFGA Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)o1 71775017 ZMPPJROFGOZGGB-LPYMAVHISA-N 396.447 2.739 50 50 GFGA O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 4899535 ZRQOXQJWPSHSDJ-INIZCTEOSA-N 384.344 2.828 50 50 GFGA C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)C(c1ccccc1)c1ccccc1 5890139 VYUQIZTWNADJGO-KGENOOAVSA-N 378.392 2.511 50 50 GFGA COc1ccc(C(C)=NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)c1 245328581 VNCLAZHYTUZDQK-UHFFFAOYSA-N 388.336 2.674 50 50 GFGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 942406 XTODKKSXBFDPGN-CNHKJKLMSA-N 377.740 2.506 50 50 GFGA N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)N1CCOCC1 8684817 CHODXLNIJWFDOT-PTNGSMBKSA-N 380.360 2.548 50 50 GFGA Cc1cc(C(=O)N[C@H](CNC(=O)CCl)c2ccc3ccccc3c2)n(C)n1 1875384223 MLYFDAQPOCGUJP-QGZVFWFLSA-N 384.867 2.708 50 50 GFGA Cc1cc2c(cc1Br)NC(=O)[C@@]21C(C#N)=C(N)Oc2cc(N)ccc21 753092 IABKUISOQXASRJ-GOSISDBHSA-N 397.232 2.664 50 50 GFGA Cc1ccc(C)c(OCCC(=O)N2CC[C@H](C)[C@@H](CNC(=O)CCl)C2)c1 1875384005 JCGYYOZLCHFWAX-RDJZCZTQSA-N 380.916 2.912 50 50 GFGA Cc1cc(OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1Cl 939568 QFDCRKLDRZLENN-UHFFFAOYSA-N 377.784 2.705 50 50 GFGA O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)[C@H]1COc2ccccc2O1 252438298 SZBZUPSAYDMZLY-QEKDQZIFSA-N 390.867 2.552 50 50 GFGA N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)C[C@@H]1c1cccs1 8973466 SIRXBAZURPNBER-VIFPVBQESA-N 376.488 2.915 50 50 GFGA COc1ccc(N2C(=O)C[C@H](N(C(=O)CCl)C3CCCCC3)C2=O)cc1 217040239 IHPYOZRLIWJNMT-INIZCTEOSA-N 378.856 2.727 50 50 GFGA Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2C)c(O)c([N+](=O)[O-])c1 35337455 QXILGNPNSDPHFS-DJKKODMXSA-N 399.432 2.738 50 50 GFGA C/C(=N\NC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccc(-n2cnnn2)cc1 5679719 ODOKIFXJQNSKCJ-HYARGMPZSA-N 398.854 2.852 50 50 GFGA CC(C)c1cc(C(=O)NNC(=S)NC[C@@H]2CCCO2)c(O)c(C(C)C)c1 2852570 RIKGHRASZQVPRC-AWEZNQCLSA-N 379.526 2.927 50 50 GFGA COc1ccccc1/C=N/NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 25759326 GAWAAFJTKJDFOP-ZVBGSRNCSA-N 380.231 2.882 50 50 GFGA O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1c[nH]c2ccccc12 43190563 MUVZXXZYWDKVHW-LSHDLFTRSA-N 399.248 2.811 50 50 GFGA O=C(CC(=O)NN=Cc1ccc2c(c1)CCC2)NN=Cc1ccc2c(c1)CCC2 254102173 JIZLYCTYDDBFHB-UHFFFAOYSA-N 388.471 2.655 50 50 GFGA C[C@@]1(C(=O)NC[C@@H](NC(=O)CCl)c2ccccc2)OCCc2ccccc21 1875384281 NSMRUMUCILAPAP-WIYYLYMNSA-N 386.879 2.687 50 50 GFGA O=C(Cn1cnc2ccccc21)NNC(=O)c1ccccc1Oc1cccnc1 748053123 AKWPBAADODNBKT-UHFFFAOYSA-N 387.399 2.685 50 50 GFGA