smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCOc1ccccc1/C=C1/SC(N2CCN(C(C)=O)CC2)=NC1=O 2310355 IDPWHJXFIZZMQC-NBVRZTHBSA-N 387.505 3.000 10 50 GFCA CCN(CCO)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 4746564 UASYQTPERTZADU-ACCUITESSA-N 384.548 2.570 10 50 GFCA N[C@H]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 238044146 FGDNKNOCGFMXBW-ZFWWWQNUSA-N 385.430 2.676 10 50 GFCA Cc1c(C(=O)N2CC[C@@]34OC[C@@H](C(C)C)N3C(=O)C[C@@H]24)n(C)c2ccccc12 1857732519 UTCGQNUHVVZRRZ-SVMVAKDDSA-N 381.476 2.685 10 50 GFCA COc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCCC4)cc3)C2=O)c1 5043784 BWRRDXYISZYEFW-UYRXBGFRSA-N 391.427 2.962 10 50 GFCA O=C(NCc1ccc(N2CCNCC2)c(F)c1)c1cc2c(F)c(F)ccc2[nH]1 2325856848 FMBGJDGDHUJXFT-UHFFFAOYSA-N 388.393 2.925 10 50 GFCA COc1ccc(OCCOc2cccc(/C=C3/C(=O)NC(=O)N=C3O)c2)cc1 2977358 JAUMTELAHYZCNS-UHFFFAOYSA-N 382.372 2.743 10 50 GFCA O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S 2981311 PCIJISSWZFPHDA-PTNGSMBKSA-N 398.465 2.860 10 50 GFCA CCC(CC)CN1CC2(CCN(C(=O)c3cccc(O)c3O)CC2)OC1=O 77385588 NUDSDMVJQBSUOR-UHFFFAOYSA-N 376.453 2.961 10 50 GFCA Cc1cc(C(=O)OCC2(CS(C)(=O)=O)CCC2)c(C)n1-c1ccccn1 753345891 MWKFWBQYGSUUAR-UHFFFAOYSA-N 376.478 2.861 10 50 GFCA COc1cc(/C=C2/C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)ccc1O 1178598 WHRCEVCDNMVLAE-NTUHNPAUSA-N 383.316 2.816 10 50 GFCA COc1ccc(O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@H](O)[C@H]2N=[N+]=[N-])cc1 228901452 HCOPARKYIRRSBS-UXXOSCIKSA-N 399.403 2.953 10 50 GFCA Cc1ccc(N2NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N(C)C)C2=O)cc1C 5034438 CLELPEKJXNGROY-BOPFTXTBSA-N 380.404 2.739 10 50 GFCA CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1O 4664748 XDYFUDLVTQVGOS-JDNUOLIOSA-N 384.339 2.972 10 50 GFCA COC(=O)[C@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(O)c(O)c1 2325802898 CZVXAOUKCRBPNP-YVEFUNNKSA-N 375.446 2.917 10 50 GFCA CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 2761849 RJBLFNZKGJEULE-ATVHPVEESA-N 393.399 2.751 10 50 GFCA CCOc1cccc(CN2CCN(Cc3ccsc3)[C@@H](CCO)C2)c1O 23357989 VOUMDVDAFHYTEL-SFHVURJKSA-N 376.522 2.921 10 50 GFCA O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/N1CCc2ccccc21 100985383 LBEPRNSCHBXHJV-NTCAYCPXSA-N 381.819 2.865 10 50 GFCA Cn1ccnc1[C@@H](O)C1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC1 1506405192 IVUJOVHNCJXTCJ-NRFANRHFSA-N 398.507 2.563 10 50 GFCA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@H](C)C(=O)O)cc2)C1=O 2805854 FNEDIXIYGNRHRF-KWWJGWKXSA-N 394.383 2.513 10 50 GFCA CCCCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)NC1=S 5867936 HPUWPTLVBACEAI-VBKFSLOCSA-N 398.444 2.812 10 50 GFCA CCn1cc(CN2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cn1 20453732 CSXKXYJTKZALFF-NRFANRHFSA-N 383.540 2.698 10 50 GFCA COc1ccc(O)c([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)C(=S)N32)c1 754558 ARZGLUBUNHECAH-QFBILLFUSA-N 393.468 2.955 10 50 GFCA Oc1ccc(Cl)cc1CN1CCC[C@H](NC2CCN([C@H]3CCOC3)CC2)C1 848530630 INWIEKWDXNGWDE-PMACEKPBSA-N 393.959 2.853 10 50 GFCA COc1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)c(OC)c1 22242151 SIFVLMJTBSBVNF-BOPFTXTBSA-N 398.390 2.547 10 50 GFCA O=C1N=C(O)/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccc([N+](=O)[O-])cc1 4819334 PZJKWYGGAJKWSI-NTUHNPAUSA-N 381.300 2.830 10 50 GFCA COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3cccc(C)c3)C1=O)OCO2 12467493 AJVXTWCIANLWRV-AUWJEWJLSA-N 396.424 2.564 10 50 GFCA Cc1cccc(CN2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)c1O 67676134 FJQBVYUJRPEAKX-UHFFFAOYSA-N 378.476 2.965 10 50 GFCA COc1ccc(N2CCN(C(=O)c3ccc(Cn4ccnc4)o3)[C@@H](C)C2)cc1 72409283 BNYBKMWNPZWQJK-INIZCTEOSA-N 380.448 2.884 10 50 GFCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1OC 15769781 MDRMPQRXULAYHT-LFIBNONCSA-N 380.400 2.756 10 50 GFCA COC(=O)[C@@H]1C[C@@H](NC(=O)CCc2ccc(C)cc2)CN1Cc1ccccc1O 64083877 LSPQWSVDTBVKNT-UXHICEINSA-N 396.487 2.566 10 50 GFCA CN1C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N(C)C1=O 2891704 WXJRMDWATCBTDP-UHFFFAOYSA-N 389.751 2.942 10 50 GFCA COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)c1 8766842 ROQAODWCWUSFSX-YRNVUSSQSA-N 387.304 2.712 10 50 GFCA COC(=O)CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1N1CCCC1 14969243 CCPMQYQVHVTOTM-QFBILLFUSA-N 376.497 2.640 10 50 GFCA O=C(NCc1ccc(O)cc1O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 91664950 IWQQYZURUVABKP-HNNXBMFYSA-N 388.851 2.806 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cnc(-c4ccccn4)nc3)[C@@H](C)C2)cc1 72431091 NMGQRNYJKNRFFF-INIZCTEOSA-N 389.459 2.898 10 50 GFCA CCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OCc1ccccc1 1188001 XZNXNJPCBZTHOE-UHFFFAOYSA-N 382.441 2.579 10 50 GFCA O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)NNc1ccccc1 5021043 FLMTWFBEVSRWLB-UHFFFAOYSA-N 378.409 2.767 10 50 GFCA COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Br)o3)C2=O)cc1 5061426 NXHAJRXISFUMEU-WQLSENKSSA-N 391.177 2.717 10 50 GFCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccncc4)C3)CC2)cc1 64131819 GOLCTOJIIGFHHV-HXUWFJFHSA-N 380.492 2.517 10 50 GFCA Cc1cc(=O)oc2c(C)c(O)c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc12 409413650 JQWPLZQCYRQAOX-CVEARBPZSA-N 392.455 2.896 10 50 GFCA biogenic COc1ccc(N2CCN(C(=O)c3cn4c5c(cccc5c3=O)CC4)CC2)cc1 33088773 REOMJJCCVPQNFA-UHFFFAOYSA-N 389.455 2.529 10 50 GFCA NC(=O)COc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1062737 UPNMLQNBAVEFEF-UHFFFAOYSA-N 386.407 2.937 10 50 GFCA Cc1ncnc(N2CCN(C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)c1C 952983803 WGIYSQQEASOZRD-UHFFFAOYSA-N 395.507 2.613 10 50 GFCA COc1cc(/C=C2/C(=O)NC(=O)N=C2O)ccc1OCc1ccccc1[N+](=O)[O-] 2903134 RXEBJZCOYUMARX-UHFFFAOYSA-N 397.343 2.772 10 50 GFCA CCC(=O)N[C@H](c1nnc2n1CCN(Cc1ccc(N(C)C)cc1)CC2)C(C)C 12149640 JWNOTTYOGGJHAY-NRFANRHFSA-N 398.555 2.626 10 50 GFCA CCOC(=O)c1c(NC=C2C(=O)OC(C)(C)OC2=O)sc2c1CCCC2 2561982 SSOMNEBNGZAFGB-UHFFFAOYSA-N 379.434 2.936 10 50 GFCA COc1ccc(N2CCN(C(=O)c3ccccc3-n3cncn3)[C@@H](C)C2)cc1 72418894 IMGJONRWEPXGKL-INIZCTEOSA-N 377.448 2.627 10 50 GFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OC)c1OC 1066753 ZHEKFAGMQTXYKB-SDNWHVSQSA-N 396.399 2.687 10 50 GFCA COc1ccc(N2CCN(CC(=O)N3N=CC[C@@H]3c3ccccc3)CC2)cc1 35851620 SWROBUSFZIRUNE-OAQYLSRUSA-N 378.476 2.777 10 50 GFCA COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC 3781942 ZVNYJIZDIRKMBF-UHFFFAOYSA-N 395.459 2.551 10 50 GFCA world CCN(CC)c1ccc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1[N+](=O)[O-] 9186594 QBWZJDXZTUELID-FNORWQNLSA-N 375.341 2.721 10 50 GFCA Cn1nccc1NC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 373467090 RYEHSXMKMZFXFP-LBPRGKRZSA-N 383.374 2.967 10 50 GFCA CCOCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 3879097 BIYASBICZRUYGH-SFHVURJKSA-N 375.469 2.740 10 50 GFCA Nc1c(S(=O)(=O)c2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O 3879121 ZFORMFSKDZIHMV-UHFFFAOYSA-N 379.393 2.583 10 50 GFCA Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1C 2735757 WOUFQFAAFZBMNU-RIYZIHGNSA-N 381.344 2.584 10 50 GFCA COCCCNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccc(C)cc1 1793498 YLMAWFKKLFRYJO-LTGZKZEYSA-N 395.503 2.985 10 50 GFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)c([N+](=O)[O-])c1 100639937 IOHDSLPSPLYFEA-XFXZXTDPSA-N 386.751 2.827 10 50 GFCA CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)N(C)C1=O 4953827 FDRCARZEXKTNJP-UHFFFAOYSA-N 388.763 2.732 10 50 GFCA COc1cc(NC=C2C(=O)OC(C)(C)OC2=O)c(OC)cc1Br 2561632 SUMYAJWDTXCIMN-UHFFFAOYSA-N 386.198 2.598 10 50 GFCA C[C@H](NC(=O)c1cccc2c1nc(O)n2C)c1ccc(N2CCN(C)CC2)cc1 2325804423 MYSHIYTZPKQNSS-HNNXBMFYSA-N 393.491 2.522 10 50 GFCA COc1ccc(CN/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 2892806 ZCHGAAANPBFJLI-WJDWOHSUSA-N 385.807 2.605 10 50 GFCA COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1OC 1214866 LKOWKRGNVUVOMH-LFIBNONCSA-N 380.400 2.987 10 50 GFCA COc1ccc(N2CCN(C(=O)c3ccc(Cn4ccnc4)o3)[C@H](C)C2)cc1 72409282 BNYBKMWNPZWQJK-MRXNPFEDSA-N 380.448 2.884 10 50 GFCA NS(=O)(=O)c1ccc(CNC2CCN(c3ccc4c(c3)CCC4)CC2)cc1 952973068 MSIGIIJWBQGPCR-UHFFFAOYSA-N 385.533 2.581 10 50 GFCA CN(CCc1ccccn1)[C@@H]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1O 11821562 QKVDUQALPQSUHX-UYAOXDASSA-N 375.900 2.550 10 50 GFCA COc1ccc(N2CCC(N3CC[C@H](N4CCCCCC4)[C@@H](O)C3)CC2)cc1 1565528328 SQMHNRFAONNMTG-GOTSBHOMSA-N 387.568 2.975 10 50 GFCA CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)c(OC)c1 1133627 DTCKITCXFUEGDY-OQLLNIDSSA-N 378.450 2.751 10 50 GFCA CNC(=O)Cn1cc(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cn1 176060516 METNIGUMGAPPGA-UHFFFAOYSA-N 379.464 2.906 10 50 GFCA CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 844399 CJPBYHHEZBERDI-IEBWSBKVSA-N 387.480 2.883 10 50 GFCA OC1(c2cccnc2)CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC1 1506400239 VJQMPEKCRWAWNG-UHFFFAOYSA-N 381.476 2.763 10 50 GFCA Cc1cccc(C)c1OCCOc1ccccc1C=C1C(=O)NC(=O)NC1=O 5102445 ZNLHPYPOBYDLTE-UHFFFAOYSA-N 380.400 2.511 10 50 GFCA Cc1c(C(=O)N2C[C@H]3[C@@H](CN(C)C)[C@@H]4CC[C@@]3(C2)O4)n(C)c2c(C)cccc12 2356163462 DXUXNSSVCZERTF-XQQXVUDOSA-N 381.520 2.976 10 50 GFCA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(N3CCCC3)cc2)C1 65362221 UEIAFMADZVNETO-WMZOPIPTSA-N 393.553 2.526 10 50 GFCA CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCc1ccc2c(c1)OCO2 100149090 SARJLBCGLYSMGC-MHWRWJLKSA-N 380.360 2.720 10 50 GFCA COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)C(=S)N32)c1O 22018323 HPDXAFVSOGZKPN-MAUKXSAKSA-N 393.468 2.955 10 50 GFCA CCCOc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 27019151 CKAGRKOENBNQJD-LERPTODRSA-N 397.543 2.864 10 50 GFCA COc1ccc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c1 1160902 QZXSWCBHNBRGHJ-OQLLNIDSSA-N 386.404 2.674 10 50 GFCA O=C1N/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1F 4467684 KWVDZLWZAOZXAQ-CPNJWEJPSA-N 381.407 2.755 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cncc(Br)c3)CC2)cc1 1001467 NXQYMZYEBBBRBA-UHFFFAOYSA-N 376.254 2.815 10 50 GFCA Cc1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1[N+](=O)[O-] 1186843 WUFOMZVBKCPLQB-UHFFFAOYSA-N 385.401 2.762 10 50 GFCA COc1cc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc(OC)c1O 26771504 NBMMKPSIDCKDHT-WHGQRRHOSA-N 397.474 2.720 10 50 GFCA C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(-n4cnnc4)nc3)cc2)C1 97099255 FOTQDHKCSJAOJW-INIZCTEOSA-N 376.464 2.829 10 50 GFCA CCn1c(CN2CCN(c3ccc(OC)cc3)C(C)(C)C2)nnc1[C@H]1C[C@H](N)C1 244874870 XIRQDOMEJFMKKD-QAQDUYKDSA-N 398.555 2.612 10 50 GFCA CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1227093 DMMNATWUZUXCKV-LPJIALBHSA-N 376.459 2.709 10 50 GFCA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 2196716 BPMXIVRGRRHCDA-HXUWFJFHSA-N 388.475 2.949 10 50 GFCA CCOc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)c1O 39552344 BYXGCYQRPBXMSQ-HXUWFJFHSA-N 388.483 2.999 10 50 GFCA CC(=O)N1CCC(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 236609883 NPJWLBGKDMZSBX-UHFFFAOYSA-N 385.430 2.643 10 50 GFCA COc1ccc(N2CC3(CN(C(=O)c4cn5cc(Cl)ccc5n4)C3)C2)cc1 2100544676 DZHRPPLABFWNGB-UHFFFAOYSA-N 382.851 2.959 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cnc(-c4cccnc4)nc3)CC2)cc1 97713463 KGWCJHFVASCVBK-UHFFFAOYSA-N 375.432 2.510 10 50 GFCA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2O)N[C@@H](c2ccccc2O)[C@H]1[N+](=O)[O-] 239402656 QWRZREMQSRFAAJ-WNRNVDISSA-N 387.392 2.800 10 50 GFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OC)c1OC 1066965 LOFKCNDPUVIMFL-RVDMUPIBSA-N 396.399 2.687 10 50 GFCA CCCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 13426866 CKAGRKOENBNQJD-NWFCWYBLSA-N 397.543 2.864 10 50 GFCA O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cc(Br)ccc1O 242389299 ZVZSJLMXDHYOFG-UHFFFAOYSA-N 381.182 2.758 10 50 GFCA C[C@@H](NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1)c1ccccc1 8969193 WBSKXLXJKAQVAA-CYBMUJFWSA-N 393.399 2.533 10 50 GFCA CCOc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)ccc1OCc1ccc(F)cc1 15722960 AVHZSAHVISLZLJ-YBEGLDIGSA-N 398.390 2.895 10 50 GFCA CCOc1cccc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1O 19224380 HHZNTKHCALSYGC-NRFANRHFSA-N 384.520 2.902 10 50 GFCA O=C1CCC2(CCN(C(=O)c3cccc(O)c3O)CC2)CN1Cc1ccncc1 91755728 VBWLJZFEHFEDOF-UHFFFAOYSA-N 395.459 2.538 10 50 GFCA CCN1C(=O)C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N(CC)C1=S 1067282 YFLNINULKXAIPG-UHFFFAOYSA-N 398.444 2.764 10 50 GFCA O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cnn(-c2ccccc2)c1 1180778 KJOSNHUENUDHAC-RQZCQDPDSA-N 376.347 2.678 10 50 GFCA COc1ccc(-n2c(C)cc(C(=O)Cn3cnc4c(c3=O)CCCN4)c2C)cc1 2325726967 HZBBPFBBHXHYHZ-UHFFFAOYSA-N 392.459 2.900 10 50 GFCA OCC1CCN(c2ncc3c(n2)CCC[C@H]3NCc2ccc3c(c2)CCO3)CC1 11813335 RXXYAPKBZXPALY-HXUWFJFHSA-N 394.519 2.787 10 50 GFCA COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Br 967101 SSZLYZCVDHZVBX-BJMVGYQFSA-N 388.264 2.744 10 50 GFCA COC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 239439119 ZLTHESMHGNSUOR-DUBDDPSESA-N 375.446 2.875 10 50 GFCA CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 1184015 QZIIQOQCENUWDR-RVDMUPIBSA-N 394.383 2.758 10 50 GFCA CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1 1121343 RFVJGEGGCIJDDL-UHFFFAOYSA-N 392.411 2.953 10 50 GFCA Oc1ccc(-c2ccc3c(c2)OCO3)cc1CN1CCN(c2ncccn2)CC1 828917539 ZJGHCMWUWCMMDW-UHFFFAOYSA-N 390.443 2.900 10 50 GFCA O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 13149301 YXJUYPXPAGMOFH-VNUQYUTRSA-N 391.898 2.867 10 50 GFCA Cc1n[nH]cc1CNC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 371518579 ZFMZDOSEGYWFAT-CYBMUJFWSA-N 397.401 2.942 10 50 GFCA Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 1185803 HXMHKVXQEWQIRD-UHFFFAOYSA-N 377.322 2.862 10 50 GFCA CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 13522463 DUOAHXDWDOWUJX-AQTBWJFISA-N 381.407 2.596 10 50 GFCA COc1cc(S(=O)(=O)NCc2c(O)cccc2F)c(OC)cc1Cl 2325854046 LUGZEYQXHFZLJM-UHFFFAOYSA-N 375.805 2.680 10 50 GFCA CN1C(=O)/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC1=S 5027527 GLHJTFDPYQBNOD-LCYFTJDESA-N 398.469 2.731 10 50 GFCA CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2ncnc2N1 4839691 BPMXIVRGRRHCDA-FQEVSTJZSA-N 388.475 2.949 10 50 GFCA COc1ccc(CCNC(=O)C2CCN(Cc3ccccc3O)CC2)cc1OC 795467 PAVWGIWCNAOXOQ-UHFFFAOYSA-N 398.503 2.980 10 50 GFCA CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 10112125 IZVMFZUBMFMHEX-UHFFFAOYSA-N 387.505 2.978 10 50 GFCA COc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1O 23129803 OSODXLBUXSYQFB-KRWDZBQOSA-N 392.446 2.748 10 50 GFCA COC(=O)c1c(C)sc(-c2c(-c3ccccc3)[nH]c3[nH]c(=O)[nH]c(=O)c23)c1O 6667788 RNBURRIGTRAAMC-UHFFFAOYSA-N 397.412 2.741 10 50 GFCA Cc1noc(CNC(=O)NC[C@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)n1 363459242 IYBZKBAMBZBXEV-GFCCVEGCSA-N 399.373 2.602 10 50 GFCA CCn1cc(/C=C2/SC(=S)N(NC(=O)c3cccnc3)C2=O)c(C2CC2)n1 1875281317 DPHXGRJBKOTDNW-RIYZIHGNSA-N 399.501 2.722 10 50 GFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(=O)OC)cc3)C2=O)cc1 5023699 XHQKFZQAAZTGGO-ATVHPVEESA-N 394.383 2.538 10 50 GFCA COC(=O)CN1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 2812873 VECPXIQRCOYBJI-KPKJPENVSA-N 399.266 2.724 10 50 GFCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1 1192460 OZPPTEYGHIKAKC-XMHGGMMESA-N 391.427 2.962 10 50 GFCA Cc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccc(C(=O)O)cc1 16268348 QXOUIMBWPVALMR-YVMONPNESA-N 396.359 2.660 10 50 GFCA O=C1NC(=O)C(=Cc2ccc(OC(=O)c3cccc4ccccc34)cc2)C(=O)N1 1173765 YWFCUFUEMLZNSE-UHFFFAOYSA-N 386.363 2.808 10 50 GFCA CS(=O)(=O)C[C@H]1CCCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C1 1506398188 IJXNPXQNGHDDQP-KRWDZBQOSA-N 376.566 2.901 10 50 GFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1C 1151419 QIPDVKDOCFYJSD-XNTDXEJSSA-N 384.363 2.818 10 50 GFCA CN(C)c1ccc(CN2CCN(CC(=O)NCCC3=CCCCC3)CC2)cc1 22751924 FWYCUPARLKLCRJ-UHFFFAOYSA-N 384.568 2.877 10 50 GFCA Cc1cc(NC(=O)CN2C(=O)/C(=C/c3ccccc3F)SC2=S)no1 1235871 ISTHYLRJMLTTSL-GHXNOFRVSA-N 377.422 2.962 10 50 GFCA COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCC(=O)N1CCCCC1 15056066 ITDPOFPJANCCQO-GDNBJRDFSA-N 392.502 2.575 10 50 GFCA CN1C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C(=O)N(C)C1=S 5648727 FVPHPJKFJSXZTO-UHFFFAOYSA-N 378.251 2.529 10 50 GFCA O=C1NC(=S)N=C(O)/C1=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 3109395 BDEPBYYKUIKWIC-UHFFFAOYSA-N 397.368 2.569 10 50 GFCA COc1ccc(N2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)cc1 19901748 BOBFMTXLDXLPHI-GOSISDBHSA-N 376.884 2.911 10 50 GFCA COc1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1OC 16183830 HIOQLJQHWLEQRE-WJDWOHSUSA-N 398.390 2.547 10 50 GFCA COC(=O)c1sccc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 13736864 MZXRQTISWRBTFR-UHFFFAOYSA-N 375.450 2.897 10 50 GFCA COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1OC 13671411 OCFISNINUWHCTC-UHFFFAOYSA-N 376.478 2.783 10 50 GFCA Cc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1N1CCCS1(=O)=O 170637563 BARSLQDMWUEJFA-UHFFFAOYSA-N 389.477 2.904 10 50 GFCA O=C(NN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1ccncc1 2529331 SOMHQKDZPNHHCS-UKTHLTGXSA-N 386.414 2.536 10 50 GFCA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 170602334 AFVGYIJSLPEYAW-IAGOWNOFSA-N 390.480 2.909 10 50 GFCA CCOC(=O)COc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1OC 16156609 YKVHVOAVCXLAPF-NTEUORMPSA-N 381.475 2.858 10 50 GFCA Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)o1 1184264 TWHCWMTXAYMQOL-UHFFFAOYSA-N 385.401 2.762 10 50 GFCA COc1ccc(CN(C)Cc2nnc(SC)n2C[C@@H]2CCCO2)c(O)c1 12037232 XAXFLZBTWNFAOM-HNNXBMFYSA-N 378.498 2.525 10 50 GFCA CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(OC)c1 15800017 YHMGRTBDXVRWDA-BOPFTXTBSA-N 397.431 2.796 10 50 GFCA Cc1ccc(C)c(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1 2977053 OIGPMVJXODDVQX-UHFFFAOYSA-N 380.400 2.511 10 50 GFCA COc1ccc(OC)c(N/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)c1 100401514 WKWMIEMGDCWMFA-KAMYIIQDSA-N 397.456 2.756 10 50 GFCA O=C(O)CCCCCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1749052 FNMNNCNYRVYYJS-YPKPFQOOSA-N 376.459 2.855 10 50 GFCA COc1ccc(N2CC3(CN(C(=O)Cc4cnc5c(C)cccn45)C3)C2)cc1 2100554726 AZOKZPCBFKXMTI-UHFFFAOYSA-N 376.460 2.543 10 50 GFCA COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(Cl)c3)CC2)cc1 797060 YPEYHQUENQOVAH-UHFFFAOYSA-N 396.896 2.868 10 50 GFCA COc1ccc(N2CCN(C[C@H](O)COc3ccc4c(c3)CCC4)CC2)cc1 4819380 HMDPMSSIPLNPBJ-NRFANRHFSA-N 382.504 2.746 10 50 GFCA CCc1ccc(/C=C2\SC(=S)N(CCC(=O)OCCN(C)C)C2=O)cc1 15746512 VRSIVSOELLXLLB-SSZFMOIBSA-N 392.546 2.945 10 50 GFCA Cn1c(CO)nnc1[C@@H]1CCCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C1 1506402118 ULQWQLQJRGBOIV-LJQANCHMSA-N 395.551 2.645 10 50 GFCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 100546646 ILQPMYBYEUONKS-NUZBWSBOSA-N 375.446 2.875 10 50 GFCA COC(=O)[C@@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(O)c(O)c1 2325802895 CZVXAOUKCRBPNP-PXAZEXFGSA-N 375.446 2.917 10 50 GFCA CCSCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1 3879091 AAPKLJGUPMOSTP-INIZCTEOSA-N 379.551 2.842 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cnc4ccnn4c3C)CC2(C)C)cc1 91871774 YSIWTEVXMHSRHY-UHFFFAOYSA-N 379.464 2.787 10 50 GFCA COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(OC)c1O 5063964 VSZZZGVXORBZEN-QGZVFWFLSA-N 399.472 2.841 10 50 GFCA O=C(O)CN1C(=O)/C(=C\c2cc(Br)ccc2F)SC1=S 2988700 RKSRFWIWXWBKSG-RUDMXATFSA-N 376.228 2.874 10 50 GFCA COc1ccc(CNC[C@H]2CC(=O)N(C3CCCC3)C2)cc1Cn1cccn1 952977487 ILKREAZEZVBHJG-GOSISDBHSA-N 382.508 2.821 10 50 GFCA CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C(=O)O)cc2C1=O 1216803 VFQNSAZJDHBFCQ-UHFFFAOYSA-N 382.372 2.595 10 50 GFCA biogenic Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1[N+](=O)[O-] 1175992 NIYCRONCNOBURM-UHFFFAOYSA-N 396.403 2.745 10 50 GFCA CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)cc1 15857010 INNPDVYSXICVPK-WJDWOHSUSA-N 396.399 2.769 10 50 GFCA Cc1ccc(-n2cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)cn2)cc1 16225571 RWHWUCHHBDILDQ-WQRHYEAKSA-N 378.432 2.975 10 50 GFCA O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cnc(-c2ccccc2)nc1 2863997 JOEYLPXVBCZJSH-RQZCQDPDSA-N 388.358 2.949 10 50 GFCA O=C(O)CN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S 2990832 BDYOIRNCIOZFRL-MDWZMJQESA-N 389.414 2.671 10 50 GFCA CCN(CC)c1ccc(CN(C(=O)c2ccco2)[C@H]2CCS(=O)(=O)C2)cc1 4302378 DIRFQILOMNEXTK-SFHVURJKSA-N 390.505 2.955 10 50 GFCA CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2CCCO)c2ccccc21 4755588 ZSFSLBVJNLGZIE-VKAVYKQESA-N 375.428 2.686 10 50 GFCA O=C(c1cccs1)N1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC1 1506403524 CCYSDCORPBAIMH-UHFFFAOYSA-N 399.516 2.904 10 50 GFCA Cc1cc(S(=O)(=O)N2CCN(c3ccc4c(c3)OCO4)CC2)ccc1Cl 242497133 BSTSHJPKPCFWMQ-UHFFFAOYSA-N 394.880 2.888 10 50 GFCA CC1=NN(c2cc(C(=O)O)cc(C(=O)O)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 4844819 HEIBIWZLPGRPMB-LSCVHKIXSA-N 393.399 2.955 10 50 GFCA CCOC(=O)COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OCC 1148136 MUKIHGPSJZEZJN-NTEUORMPSA-N 381.475 2.858 10 50 GFCA COc1cc(/C=C2\SC(=S)NC2=O)cc(Br)c1OC(C)=O 12364576 VEMCSQICESSMHI-YHYXMXQVSA-N 388.264 2.872 10 50 GFCA CCn1cc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cn1 6637004 ILWLSZVGIPIVLP-AHSSXEFNSA-N 387.486 2.800 10 50 GFCA Cc1cc(C)cc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1 5102295 MTPQKYFHIKCLHW-UHFFFAOYSA-N 380.400 2.511 10 50 GFCA O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 4982405 HDRIFAADNVKOHV-PDGQHHTCSA-N 383.835 2.638 10 50 GFCA CN1C(=O)NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 5061436 SRSDNUNZBXFATB-XFFZJAGNSA-N 375.724 2.600 10 50 GFCA CN(c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1)S(C)(=O)=O 10113599 QEUZPBOLECJOOI-UHFFFAOYSA-N 387.505 2.613 10 50 GFCA Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)o1 1186638 MEOHWGZRJQNDBN-UHFFFAOYSA-N 385.401 2.762 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cc(C)c(C)n(C)c3=O)CC2(C)C)cc1 91892696 OCYJDNAWLKKKKS-UHFFFAOYSA-N 383.492 2.752 10 50 GFCA O=C(O)COc1ccccc1/C=C1\C(=O)N(c2ccccc2F)C(=O)N=C1O 15769852 NYVFGODZDZXCOJ-XFXZXTDPSA-N 384.319 2.796 10 50 GFCA O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCCCC1)c2NCCO 4193998 JTSPMDFRBOBSON-UHFFFAOYSA-N 392.455 2.882 10 50 GFCA O=C1N=C(O)/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1c1cccc(F)c1 17056223 LCMQUNGDEIUEDO-RVDMUPIBSA-N 385.351 2.762 10 50 GFCA COc1ccc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c(O)c1 36379413 XTLSGTPPMWYOBB-OAQYLSRUSA-N 384.520 2.902 10 50 GFCA Cc1cc(C)c2nc3s/c(=C\c4ccc(N5CCOCC5)cc4)c(=O)n3c2c1 16675997 IULMOZVIEFONHH-UYRXBGFRSA-N 391.496 2.910 10 50 GFCA CN(C)c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 16671108 ZLCSINPKWBYDTM-UVTDQMKNSA-N 386.249 2.977 10 50 GFCA CC(C)(C)SCCN/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 19595273 NZZDWSVGFLPENN-RAXLEYEMSA-N 381.885 2.928 10 50 GFCA COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)C(=O)NC2=S)cc1 5044068 XSFIYHPVJNDLQS-PTNGSMBKSA-N 398.440 2.544 10 50 GFCA Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O[C@@H](C)C(=O)O)cc2)C1=O 2805852 FNEDIXIYGNRHRF-XDUBLRSXSA-N 394.383 2.513 10 50 GFCA CN1C(=O)C(=Cc2cccc(OCCOc3ccccc3)c2)C(=O)N(C)C1=O 2987464 WBIOGVAICROQRZ-UHFFFAOYSA-N 380.400 2.578 10 50 GFCA COc1ccc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c(O)c1 20166390 XTLSGTPPMWYOBB-NRFANRHFSA-N 384.520 2.902 10 50 GFCA COc1ccc(N2CC3(CN(C(=O)[C@H]4CC(=O)Nc5ccc(F)cc54)C3)C2)cc1 2100557199 YFNCSVCDLLYNNR-SFHVURJKSA-N 395.434 2.609 10 50 GFCA O=C1NC(=S)S/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 2961363 NQXOAJCOJKBVOE-GXDHUFHOSA-N 377.468 2.943 10 50 GFCA COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)c1O 15723043 SAWFOHQCUJZQMT-JYRVWZFOSA-N 383.316 2.816 10 50 GFCA O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1 1139968 SYSLQADDBOAJSA-PDGQHHTCSA-N 392.346 2.986 10 50 GFCA CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(OCC(=O)O)cc1 100974703 PJKSHSVPPIPSRX-LICLKQGHSA-N 380.356 2.654 10 50 GFCA COc1cccc(CNc2nc3ccccc3n2CCN2CCOCC2)c1O 814090 GAHKVZPBIUKCFK-UHFFFAOYSA-N 382.464 2.695 10 50 GFCA CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OC)C(=O)NC2=S)cc1 2878809 QIAXZRLQRJHFET-FOWTUZBSSA-N 382.441 2.925 10 50 GFCA CCNC(=O)[C@@H]1C[C@H](NCc2cc(Cl)ccc2O)CN1Cc1ccccc1 32511707 CFDKJUYHIIDSSQ-OALUTQOASA-N 387.911 2.914 10 50 GFCA COc1cccc(CNC(=O)NC2CCN(CCc3ccccc3)CC2)c1O 173741011 IYFKXPDEYBZAMI-UHFFFAOYSA-N 383.492 2.907 10 50 GFCA O=C(c1ccoc1)N1CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC1 1506414140 MEXRYFIATSKQNY-UHFFFAOYSA-N 397.475 2.825 10 50 GFCA Cc1nc(/N=N/c2ccc(C(=O)O)cc2)c(COP(=O)(O)O)c(C=O)c1O 4392984 NPBWMMRUXMTIRC-ISLYRVAYSA-N 395.264 2.631 10 50 GFCA in-vitro Cc1ccc(OCCOc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)c(C)c1 2977094 JZDSQARWLNTVCA-UHFFFAOYSA-N 396.468 2.676 10 50 GFCA O=C1CN(c2ccc(CNC(=O)Nc3cccc4cc[nH]c34)cc2F)CCN1 2325742630 YQGQRFYKHGRNIY-UHFFFAOYSA-N 381.411 2.565 10 50 GFCA CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)N=C2O)cc1 8914819 MNMNRHPKKIRIRA-GHRIWEEISA-N 395.415 2.549 10 50 GFCA COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\NC2CC2)cc1 4872632 OAVYXFYRMRWKBY-PDGQHHTCSA-N 378.388 2.990 10 50 GFCA CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1 334162931 HGZNVBXEHBXFAU-XNTDXEJSSA-N 386.791 2.684 10 50 GFCA O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 4587461 VHVIOEMKQICLHH-QPEQYQDCSA-N 387.189 2.639 10 50 GFCA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)cc1 1225759 NCKKOWAMSCMEQF-NTEUORMPSA-N 387.189 2.821 10 50 GFCA CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 13613461 JFDQARKHUBANHW-UHFFFAOYSA-N 387.505 2.978 10 50 GFCA COC(=O)[C@H](NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(O)c(O)c1 2325802897 CZVXAOUKCRBPNP-SJKOYZFVSA-N 375.446 2.917 10 50 GFCA COc1ccc(OC)c(N2C(=O)/C(=C\Nc3ccc(C)cc3)C(=O)NC2=S)c1 2892823 VMQKGHKQHMLNIZ-PTNGSMBKSA-N 397.456 2.756 10 50 GFCA CCN(Cc1cc(Br)ccc1O)C(=O)c1nc(C)c(C)[nH]c1=O 124404999 DVVSPNNAJZZGJK-UHFFFAOYSA-N 380.242 2.517 10 50 GFCA Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N(C)C)c([N+](=O)[O-])c2)C1=O 1857666454 RLTHPEMOSPCABT-UHFFFAOYSA-N 394.387 2.636 10 50 GFCA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/Nc3ccccc3C)C2=O)c1 3880768 FHFNRTBGFNYGTH-KAMYIIQDSA-N 381.388 2.591 10 50 GFCA COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)c1 170621671 LMJAHGGUYXWLPI-ZWNOBZJWSA-N 390.358 2.741 10 50 GFCA O=C1N/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccc(F)cc1 2813019 LZGGRSFYJCDKJB-CPNJWEJPSA-N 381.407 2.755 10 50 GFCA C[C@H](NC(=O)Cc1c[nH]c2cnccc12)c1ccc(N2CCN(C)CC2)c(F)c1 2325746551 NOQFUPGXNQITNF-HNNXBMFYSA-N 395.482 2.874 10 50 GFCA CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)OC3 903733 RVLXFOCYJYKIIX-UHFFFAOYSA-N 391.493 2.743 10 50 GFCA O=C(C1CCN(Cc2ccccc2O)CC1)N1CCN(c2ccccc2)CC1 4662924 BVGWHQCVZSESBH-UHFFFAOYSA-N 379.504 2.953 10 50 GFCA NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3csc(C4CC4)n3)cc2)C1 747375205 JOIZIUOMZTULOG-OAHLLOKOSA-N 384.505 2.652 10 50 GFCA COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 68462515 UHCLDYDPNMSVKH-HNNXBMFYSA-N 376.478 2.571 10 50 GFCA O=C1[C@H]2CC[C@H](CN(C3CCN(c4ccc5c(c4)OCO5)CC3)C2)N1CC1CC1 95370313 PCRJNRXVAXFWAH-FXAWDEMLSA-N 397.519 2.717 10 50 GFCA COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 1192575 CSPYOJXWLZAXOY-NTEUORMPSA-N 396.399 2.687 10 50 GFCA Cn1cccc1/C=C1/C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O 16212219 UTAQJXZNLLVRFC-LCYFTJDESA-N 390.262 2.619 10 50 GFCA Oc1ccc(Cl)cc1CN1CCC[C@H](NC2CCN([C@@H]3CCOC3)CC2)C1 848530632 INWIEKWDXNGWDE-VQTJNVASSA-N 393.959 2.853 10 50 GFCA CCOc1ccc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)cc1 1149167 MUQBOGJECRPEHB-LDADJPATSA-N 385.445 2.539 10 50 GFCA c1cc(C[C@@H]2COC[C@@H]2NC2CCN(c3ccc4c(c3)OCO4)CC2)ccn1 1704299495 SONRPZPXRVDUKP-XLIONFOSSA-N 381.476 2.626 10 50 GFCA Cc1nc([C@@H](C)NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)n[nH]1 670444974 YGLSGRBBWKPHFT-CYBMUJFWSA-N 388.427 2.698 10 50 GFCA Cc1nonc1/N=N/N(CC(=O)Nc1ccccc1Cl)c1nonc1C 16671125 ISFIMMYPTXOIIE-OQKWZONESA-N 376.764 2.867 10 50 GFCA CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(C(C)(C)C)cc1 2082927042 UIQNKMORYVUHPM-MRXNPFEDSA-N 375.494 2.685 10 50 GFCA O=C(CC1(c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O)N1CCOCC1 1065883 IRZPAXMGHAIAPV-UHFFFAOYSA-N 383.831 2.906 10 50 GFCA CC[C@H](C)N1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)NC1=S 5931395 OYYBVVMXENNZOZ-IEMQHYRPSA-N 398.444 2.811 10 50 GFCA COc1ccc(O)c(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1 39405895 APQUSVMXDQAESG-QGZVFWFLSA-N 392.446 2.748 10 50 GFCA O=C(O)COc1ccc(/C=C2\C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)cc1 16213143 ZVCDHOBXFQKLIZ-SXGWCWSVSA-N 398.346 2.791 10 50 GFCA CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 12412863 LFGHRKRFYYRIMG-XFFZJAGNSA-N 399.754 2.827 10 50 GFCA COC(=O)C[C@@H](C(=O)OC)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1773309 XCLVUASGBWIIHX-LPODNYBHSA-N 391.470 2.549 10 50 GFCA O=C(NCc1ccnc(-n2ccnc2)c1)NCc1c(O)ccc2c1CCCC2 363290563 CXEDKOCBKSTTEM-UHFFFAOYSA-N 377.448 2.851 10 50 GFCA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)o1 4472012 YVAMCGRBDZHXFL-PTNGSMBKSA-N 385.420 2.850 10 50 GFCA CC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc21 42168662 ISYYFTHABCMXII-UHFFFAOYSA-N 399.516 2.674 10 50 GFCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4cccc(C)n4)C3)CC2)cc1 55370577 QNJVKRWROMTWGH-HXUWFJFHSA-N 394.519 2.825 10 50 GFCA C[C@H]1CC[C@](C(N)=O)(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C1 101172638 DMABCDOEBFJPEP-OYHNWAKOSA-N 377.444 2.889 10 50 GFCA CSc1ccc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 67621563 DLEFHIAKQUWWCE-UHFFFAOYSA-N 391.562 2.639 10 50 GFCA CCN(CC)C(=O)c1cn([C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 12512053 PJPYDQFASVETKG-INIZCTEOSA-N 391.903 2.956 10 50 GFCA O=C(O)COc1ccc(/C=C2/SC(Nc3cccc(C(=O)O)c3)=NC2=O)cc1 6402353 LFTHMLZRVSHDCV-OVCLIPMQSA-N 398.396 2.931 10 50 GFCA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 980478 RRJCUWOTSBEVKS-UHFFFAOYSA-N 396.516 2.759 10 50 GFCA Cc1cccn2c(=O)c(/C=C3/SC(=S)NC3=O)c(NCc3ccco3)nc12 13427394 REHKRHHZTFJZMV-MDWZMJQESA-N 398.469 2.697 10 50 GFCA O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCOCC1 19939989 RXRQQKSGZUZEHR-QSJINSDNSA-N 388.514 2.693 10 50 GFCA O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC(OC(F)(F)F)C1 2325776157 VSPZTYHWXKHHQR-UHFFFAOYSA-N 390.377 2.718 10 50 GFCA Cc1nn(C)cc1/C=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O 2807810 MMAUACRKCVCFGA-AHSSXEFNSA-N 387.486 2.626 10 50 GFCA COc1cc(N/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1 5595862 NKXVLOANIQRTTN-BOPFTXTBSA-N 397.456 2.756 10 50 GFCA O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1cnc(-c2ccccc2)nc1 2856443 LBRAGJFSQWRNSN-XNTDXEJSSA-N 388.358 2.949 10 50 GFCA COc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N=C3O)c2C)c([N+](=O)[O-])c1 1147488 BHGDRFFVRZHFEM-UHFFFAOYSA-N 384.348 2.601 10 50 GFCA COC(=O)c1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 1236406 HWEKDGAYBHWPNY-LLBKUYECSA-N 379.459 2.784 10 50 GFCA COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O 766538 UYGMFTYPJJDGFZ-MDWZMJQESA-N 388.832 2.886 10 50 GFCA COc1ccccc1N1C(=O)/C(=C\Nc2ccc3c(c2)CCC3)C(=O)NC1=S 16662502 KKVOKKQVLWHVIO-VBKFSLOCSA-N 393.468 2.928 10 50 GFCA O=C(c1ccco1)N1CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC1 952988317 LDCHOBSYBGQHIE-UHFFFAOYSA-N 397.475 2.825 10 50 GFCA O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/N1CCc2ccccc2C1 1163047 VYAOLVMLSSUZCG-NTCAYCPXSA-N 381.432 2.516 10 50 GFCA CCc1cc(C(=O)COc2ccccc2)c(O)c(CN2CCC[C@@H]2C(=O)O)c1O 5092957 MLXYYCAWSWRSNG-GOSISDBHSA-N 399.443 2.971 10 50 GFCA Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\c3ccc(C(=O)O)cc3)C2=O)c(C)c1 2311610 QJRNXICVMMTENW-MHWRWJLKSA-N 378.384 2.976 10 50 GFCA O=C1N=C(N[C@@H](Cc2ccccc2)C(=O)O)S/C1=C/c1ccc2c(c1)OCO2 8857219 QRUOWJRBFSZLFF-FBJMNJBLSA-N 396.424 2.671 10 50 GFCA COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C 1163074 XPYFGVQCMCSPHJ-UHFFFAOYSA-N 389.864 2.670 10 50 GFCA COc1ccc(N2CCC(N3CC[C@@H](N4CCCCCC4)[C@H](O)C3)CC2)cc1 67909386 SQMHNRFAONNMTG-DHIUTWEWSA-N 387.568 2.975 10 50 GFCA CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 3879096 BIYASBICZRUYGH-GOSISDBHSA-N 375.469 2.740 10 50 GFCA O=C1NC(=S)N=C(O)/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 20234066 PDHDONPEVPSFGW-UHFFFAOYSA-N 382.397 2.718 10 50 GFCA COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc([N+](=O)[O-])c1O 4499175 JJLZHTXIFLLODL-NSIKDUERSA-N 397.343 2.813 10 50 GFCA N[C@@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 237872276 FGDNKNOCGFMXBW-UKRRQHHQSA-N 385.430 2.676 10 50 GFCA Cn1ccnc1C(=O)N1CCN(c2ccc(OCc3ccccc3)cc2)CC1 952990732 SUOWENXUNQVOOK-UHFFFAOYSA-N 376.460 2.962 10 50 GFCA O=C1N=C(O)/C(=C\c2ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)C(=O)N1 4543690 QJEZKCQRCSJWFL-UHFFFAOYSA-N 392.371 2.747 10 50 GFCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCC2 239174508 QDXLTUZRKPUQNP-HKCMKHECSA-N 393.461 2.620 10 50 GFCA COc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c(O)c1 22853412 YIALBQZDFDJXAA-QGZVFWFLSA-N 392.446 2.748 10 50 GFCA Cn1ccnc1CNC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 362806434 NMPPARDOXGTRBA-ZDUSSCGKSA-N 397.401 2.644 10 50 GFCA N[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 237899559 FGDNKNOCGFMXBW-DZGCQCFKSA-N 385.430 2.676 10 50 GFCA Cc1cccc(CN2CCN(Cc3cc(Cl)ccc3O)C[C@@H]2CCO)n1 96865197 CJOSCGTUAXWAKI-IBGZPJMESA-N 375.900 2.818 10 50 GFCA O=C1CCN1c1cccc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c1 804260214 FEFJMUJSHJQVNM-UHFFFAOYSA-N 385.807 2.751 10 50 GFCA COc1ccc(N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)c(N)c1 2382215006 LYQOAIJZQPUZEF-UHFFFAOYSA-N 387.465 2.705 10 50 GFCA Cc1cc(C(=O)NCc2csc(=O)[nH]2)c(C)n1-c1ccc2c(c1)OCCO2 124206665 AYCVQHAZTNHBBM-UHFFFAOYSA-N 385.445 2.545 10 50 GFCA CCS(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc(N3CCCC3)cc2)CC1 67629963 BARRGIWTNHKNSQ-INIZCTEOSA-N 393.553 2.526 10 50 GFCA Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)o1 1180404 JYXMLINPUCEZOS-UHFFFAOYSA-N 384.413 2.552 10 50 GFCA COc1ccc(N2CCN(C(=O)CCn3c(C)cccc3=O)CC2(C)C)cc1 95382015 YKOVXCDYKBDRQD-UHFFFAOYSA-N 383.492 2.683 10 50 GFCA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 19877501 YYWRTWJCUZCNBZ-YBEGLDIGSA-N 375.837 2.794 10 50 GFCA COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)c([N+](=O)[O-])cc1OC 16671238 NROYOGFUUAKRBH-NVNXTCNLSA-N 397.387 2.690 10 50 GFCA COc1ccc(N2CCN(CC(=O)N3N=CC[C@H]3c3ccccc3)CC2)cc1 35851619 SWROBUSFZIRUNE-NRFANRHFSA-N 378.476 2.777 10 50 GFCA COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1O 15659376 BKTIKVSHVJEFPW-QPEQYQDCSA-N 388.832 2.886 10 50 GFCA COCCN1C(=O)/C(=C\c2ccc(Br)cc2)C(C(=O)OC)=C1C 2918571 CICIFKCHZQFZDA-UVTDQMKNSA-N 380.238 2.768 10 50 GFCA COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1O 15659351 YAUPJTIWJKQTEJ-JYRVWZFOSA-N 388.832 2.886 10 50 GFCA COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(OC)c1 1192832 MARDBEJSYQRWDY-LFIBNONCSA-N 396.399 2.687 10 50 GFCA CCN1C(=O)/C(=C/c2cc(Cl)ccc2OS(C)(=O)=O)SC1=S 3001739 VEEUKZZFMBHMHA-XFFZJAGNSA-N 377.896 2.900 10 50 GFCA O=C1/C(=C/NCCCO)C(c2ccccc2)=NN1c1nc2ccccc2s1 96501749 RQYROBYFFYZJNY-FYWRMAATSA-N 378.457 2.903 10 50 GFCA Cn1ccnc1SCC(=O)NCc1cc(C(=O)c2ccccc2)ccc1O 784133 GZBLTNUKRWBCBI-UHFFFAOYSA-N 381.457 2.765 10 50 GFCA Cc1cc(C)n(Cc2ccc(NS(=O)(=O)c3cccc4nonc34)cc2)n1 6502352 JQBDSXVJZXYUOB-UHFFFAOYSA-N 383.433 2.885 10 50 GFCA O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1Br)OCO2 16667438 GMLOHAAXIMFVHH-WUXMJOGZSA-N 387.189 2.639 10 50 GFCA Cc1ccc(OCCOc2ccccc2C=C2C(=O)NC(=O)NC2=O)c(C)c1 2978031 BQLDMDGEFRVLPP-UHFFFAOYSA-N 380.400 2.511 10 50 GFCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 653726 QWWCFUGGDAQZJN-NTUHNPAUSA-N 386.816 2.900 10 50 GFCA COc1ccc(N2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)cc1 19901750 BOBFMTXLDXLPHI-SFHVURJKSA-N 376.884 2.911 10 50 GFCA CCc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 16578331 WQNXZHFYFFDBOI-UHFFFAOYSA-N 390.505 2.777 10 50 GFCA CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCCN1CCOCC1 100095556 OBWBWRGLOHCOBT-JXAWBTAJSA-N 399.520 2.605 10 50 GFCA O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1[C@H]1CCS(=O)(=O)C1 13149302 YXJUYPXPAGMOFH-QJZKUFFDSA-N 391.898 2.867 10 50 GFCA CN1C(=O)C(=Cc2ccc(N3CCC(C(F)(F)F)CC3)cc2)C(=O)N(C)C1=O 263639712 FMTKAWVVLFJFKR-UHFFFAOYSA-N 395.381 2.899 10 50 GFCA CN1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CC1 19893341 YTNCBLAZOJWFGY-OWBHPGMISA-N 395.575 2.504 10 50 GFCA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1 1857666671 FYHCSJAPGVFZEF-UHFFFAOYSA-N 377.378 2.627 10 50 GFCA COc1ccc(CN/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 100359780 ZKKHXBSTRKXATH-WJDWOHSUSA-N 385.807 2.605 10 50 GFCA COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccccc34)C2=O)c1 1857666698 VQWOIUNRBXMAHI-UHFFFAOYSA-N 391.383 2.852 10 50 GFCA CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccccc1Cl 16160986 OHOSVULWCYDICP-GDNBJRDFSA-N 375.837 2.794 10 50 GFCA COc1ccc(CN/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 2892863 NLGPUSFTFMYUFS-KAMYIIQDSA-N 385.807 2.605 10 50 GFCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)NC[C@H]3CCCO3)ccc12 1119442 ADZZSVYORPGJGJ-OAHLLOKOSA-N 397.427 2.937 10 50 GFCA CCn1nc(CO)c2c1CCN(C1CCN(c3ccc4c(c3)CCC4)CC1)C2 1506423373 WNOUYUQQMNYREU-UHFFFAOYSA-N 380.536 2.911 10 50 GFCA CN1CCN(c2ccc(CN3CCC[C@@H]3c3ccc(C(N)=O)s3)cc2)CC1 19228719 GGXATKZRYDYOSQ-GOSISDBHSA-N 384.549 2.936 10 50 GFCA Cc1ccc(-c2cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)co2)cc1[N+](=O)[O-] 1156192 SZKPDIJOKXCSHN-UHFFFAOYSA-N 385.401 2.762 10 50 GFCA COc1ccc(O)c([C@H](C)NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1 253420240 VCHBANFMGOCAKW-ZBEGNZNMSA-N 382.432 2.783 10 50 GFCA CCOC(=O)c1c2c(n(C)c1CO)C(=O)C(=O)c1ccc(Br)cc1-2 22146831 BOFZGPGCTNSPHN-UHFFFAOYSA-N 392.205 2.503 10 50 GFCA Oc1ccc(Cl)cc1CN1CCC[C@@H](NC2CCN([C@H]3CCOC3)CC2)C1 848530631 INWIEKWDXNGWDE-UXHICEINSA-N 393.959 2.853 10 50 GFCA COc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(OC)c(O)c(OC)c3)C2=O)cc1 1269753 IZJKSLAVKCYPEX-RIYZIHGNSA-N 398.371 2.925 10 50 GFCA CN(C)CCCN/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 18118904 VPFFRUVMJPSMTN-XDJHFCHBSA-N 393.447 2.771 10 50 GFCA O=C(Cc1n[nH]c2ccccc12)NCc1cc(F)c(N2CCOCC2)c(F)c1 837707977 PBVHMHQYVAQDMR-UHFFFAOYSA-N 386.402 2.537 10 50 GFCA COc1ccc(/C=C2\C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c(OC)c1 16183792 CYQPYWVYKMXWAV-LFIBNONCSA-N 382.441 2.877 10 50 GFCA C=CC(=O)N(CC)CC(=O)N1CCc2c(c3ccc(Cl)c(F)c3n2C)C1 1875372143 XTYGKSQVPDCQMA-UHFFFAOYSA-N 377.847 2.890 10 50 GFCA O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1cccc([N+](=O)[O-])c1 1125039 DXFJLNQORXSQEG-PDGQHHTCSA-N 392.346 2.986 10 50 GFCA COC(=O)c1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 1236404 HWEKDGAYBHWPNY-FSBNRTBOSA-N 379.459 2.784 10 50 GFCA O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1=NCCS1 1798894 VPMWGEHWRUKTCZ-CSKARUKUSA-N 383.545 2.558 10 50 GFCA Cc1cc(C[C@H]2CN(C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@@H]2O)on1 1615733619 KYCDNXNEUMEXBL-CVDCTZTESA-N 381.520 2.976 10 50 GFCA COc1ccc([C@H]2CC(c3ccc(O)c(OC)c3)=NN2S(C)(=O)=O)cc1 252478655 ARHPFEXUKWAPSP-MRXNPFEDSA-N 376.434 2.520 10 50 GFCA NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccn(C4CCCC4)n3)cc2)C1 763279547 CYKYPOWQMPMMGO-KRWDZBQOSA-N 395.507 2.630 10 50 GFCA COc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)cc1Cl 1129849 SOBUOBPIYNZFHI-UHFFFAOYSA-N 389.864 2.670 10 50 GFCA COc1cc(OC)c(OC)cc1/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 1225689 RHIINEQHBBHPKY-NTEUORMPSA-N 388.420 2.507 10 50 GFCA COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC 13635525 LJWSQZLBPXRAKP-DHDCSXOGSA-N 396.399 2.687 10 50 GFCA O=C1N=C(N[C@H](Cc2ccccc2)C(=O)O)S/C1=C/c1ccc2c(c1)OCO2 8857220 QRUOWJRBFSZLFF-NGWPFTMJSA-N 396.424 2.671 10 50 GFCA Cc1cccc(Cn2cc(C=C3C(=O)NC(=S)NC3=O)c3ccccc32)c1 5102458 OUCVLRFQEPRASI-UHFFFAOYSA-N 375.453 2.912 10 50 GFCA CC(=O)Oc1cc2c(c(OC(C)=O)c1Cl)C(=O)c1c(O)cc(C)cc1C2=O 2332918206 WVMKKAIVUYFANX-UHFFFAOYSA-N 388.759 2.980 10 50 GFCA Cc1ccccc1C(=O)NN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1104334 SQPFRKODQCTLBO-PFONDFGASA-N 395.465 2.864 10 50 GFCA Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 1176078 MTXFVPDHAQSPFU-UHFFFAOYSA-N 396.403 2.745 10 50 GFCA COc1cc(OC)c(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(OC)c1 15659251 PBTCECSCOODZIX-PTNGSMBKSA-N 388.420 2.507 10 50 GFCA O=C1NC(=O)C(=Cc2cccc(OC(=O)c3cccc4ccccc34)c2)C(=O)N1 1198196 YVMSLGJEFCQOFT-UHFFFAOYSA-N 386.363 2.808 10 50 GFCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4cccc(O)c4)C3)CC2)cc1 72167346 OFDTXKZSPXJPKY-HXUWFJFHSA-N 395.503 2.828 10 50 GFCA CC(=O)NCc1cc2n(n1)CCN(C(=O)c1cc(C)n(-c3ccccc3)c1C)C2 426428325 NAJDOSKGYGTRFZ-UHFFFAOYSA-N 391.475 2.583 10 50 GFCA Nc1ccc(CC(=O)N2C[C@H]3COC[C@@H](C2)CN3Cc2ccc(Cl)cc2)cc1 1704336761 OPGJDDVVPNGNEV-NQIIRXRSSA-N 399.922 2.824 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cnn4c(C)cc(C)nc34)[C@H](C)C2)cc1 72438560 BUXLTXLGAPZHLR-MRXNPFEDSA-N 379.464 2.706 10 50 GFCA Cc1ccccc1Cn1cc(C=C2C(=O)NC(=S)NC2=O)c2ccccc21 1168742 FDDFAZIFDPHEMR-UHFFFAOYSA-N 375.453 2.912 10 50 GFCA C[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 72437631 QGJLOXSHWHGPNW-WMZOPIPTSA-N 393.553 2.526 10 50 GFCA COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N=C3O)c2C)cc1 8743101 WBIJQWXCICRCQR-UHFFFAOYSA-N 383.429 2.635 10 50 GFCA COc1cccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)C(=O)NC2=S)c1 1197550 ZGVUEIAVJDBQGM-XNTDXEJSSA-N 398.440 2.544 10 50 GFCA CN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)SC1=S 13550596 YXJVOHQUZXZRGK-FPYGCLRLSA-N 375.225 2.894 10 50 GFCA COc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OCc1ccccc1 1155239 UZSPGHMERMOIAN-UHFFFAOYSA-N 396.468 2.873 10 50 GFCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)CCSC)C3)CC2)cc1 19837890 BZTWPKRUVZCDEG-GOSISDBHSA-N 377.554 2.561 10 50 GFCA COCCN1C(=O)/C(=C\c2c(C)nn(-c3ccccc3)c2O)SC1=S 5677905 PXFZJSXNFPFWNJ-GXDHUFHOSA-N 375.475 2.734 10 50 GFCA CCCCc1ccc(NC=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)cc1 2082930510 VXAKFQXHRIWWKO-QGZVFWFLSA-N 375.494 2.730 10 50 GFCA C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCc1ccc(O)c(O)c1 122249156 GBOHWFSZISZSIM-SNVBAGLBSA-N 397.258 2.882 10 50 GFCA COc1ccc(N2CC3(CN(C(=O)[C@@H]4CC(=O)Nc5ccc(F)cc54)C3)C2)cc1 2100557197 YFNCSVCDLLYNNR-GOSISDBHSA-N 395.434 2.609 10 50 GFCA O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 2907997 PSBPROHGLMBZJH-NTUHNPAUSA-N 389.410 2.931 10 50 GFCA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/NN1C(=O)c2ccccc2C1=O 223209266 CZKJYQBNEUIQOT-MHWRWJLKSA-N 380.791 2.747 10 50 GFCA COc1ccc(CN[C@H]2CCCN(C(=O)c3ccco3)C2)cc1Cn1cccn1 952964148 MRUYIAQINOLQFF-IBGZPJMESA-N 394.475 2.927 10 50 GFCA O=C(NCc1ccc(N2CCCCC2)cc1)N[C@H](CO)CCc1ccncc1 1875273628 VRFBNTXNBIGYFR-FQEVSTJZSA-N 382.508 2.865 10 50 GFCA C[C@@H](NC(=O)Cc1cnn2ccccc12)c1ccc(N2CCN(C)CC2)cc1 2325754904 HJKQAEMEMQVZRH-QGZVFWFLSA-N 377.492 2.506 10 50 GFCA Cn1cncc1CNC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 368629336 ZETGFOOEEXGSAW-ZDUSSCGKSA-N 397.401 2.644 10 50 GFCA COc1cc2c3c(c1)/C(=C1/SC(NC(C)=O)=NC1=O)C(=O)N3C(C)(C)C=C2C 9331156 YRDOMFQFSOICJQ-PEZBUJJGSA-N 397.456 2.714 10 50 GFCA C[C@@H]1CC[C@@](C(N)=O)(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C1 101172627 DMABCDOEBFJPEP-QRQCRPRQSA-N 377.444 2.889 10 50 GFCA CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C 4744772 LWHWKBULKXZRGW-UHFFFAOYSA-N 390.505 2.913 10 50 GFCA Cc1ccc(C(=O)O)cc1-c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)o1 655865 FHAZBARARCIXMB-UHFFFAOYSA-N 384.413 2.552 10 50 GFCA COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=S)N23)c1O 22018325 HPDXAFVSOGZKPN-QAPCUYQASA-N 393.468 2.955 10 50 GFCA COc1ccc(N2CCN(C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)cn1 1857683230 YPKNSGIDYXXHCE-UHFFFAOYSA-N 396.491 2.610 10 50 GFCA COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CCN2[C@H]1[C@@H]6[C@H]5C[C@H]43 247922730 CUSPGBAYZUUDOF-AFTKDRMASA-N 380.488 2.583 10 50 GFCA CCOc1ccc(-c2nc3s/c(=C\c4ccc(N(C)C)cc4)c(=O)n3n2)cc1 16805259 JXHCOLNLYGREAJ-AQTBWJFISA-N 392.484 2.830 10 50 GFCA Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(C)s3)C2=O)cc1 13564311 JTMGEZVRTUHVPS-GHXNOFRVSA-N 390.515 2.995 10 50 GFCA C/C(NCCO)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 17136160 DKOVRYJKBXGOBS-LGMDPLHJSA-N 378.457 2.903 10 50 GFCA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 170602333 AFVGYIJSLPEYAW-DLBZAZTESA-N 390.480 2.909 10 50 GFCA COCCCN/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 5030829 NGRPGIUMXYMEGC-JXAWBTAJSA-N 380.404 2.856 10 50 GFCA O=C(CCc1nnc(-c2ccccc2)o1)NCc1ccc(N2CCOCC2)cc1 23398337 QQPORQSIGSHWDC-UHFFFAOYSA-N 392.459 2.822 10 50 GFCA Cc1nc([C@H](C)NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)n[nH]1 670444978 YGLSGRBBWKPHFT-ZDUSSCGKSA-N 388.427 2.698 10 50 GFCA Cc1cc(C(=O)N2C[C@@H]3CCN(C)C[C@]3(C(=O)O)C2)c(C)n1-c1ccccc1 91663126 SEAKENSPPZYGIM-JTSKRJEESA-N 381.476 2.573 10 50 GFCA O=C1Nc2ccccc2/C1=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 1029047 SRIKEVHBJPZBFZ-YPKPFQOOSA-N 381.438 2.555 10 50 GFCA CC(C)CCN1C(=O)/C(=C2\SC(=S)N(CC(=O)O)C2=O)c2ccccc21 2678237 ZEGFSUATVPWMCJ-PFONDFGASA-N 390.486 2.735 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1 1124836 IYHLPFHSSALZLY-UHFFFAOYSA-N 386.448 2.683 10 50 GFCA Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1-n1ccnc1-c1ccc(N(C)C)cc1 1857704179 HCIHJIGYFUTIAR-GOSISDBHSA-N 399.520 2.778 10 50 GFCA COc1ccc(N2CC3(CN(C(=O)[C@@H]4COc5c(cccc5OC)C4)C3)C2)cc1 2100557242 PRCPVOKNHKAOKV-KRWDZBQOSA-N 394.471 2.604 10 50 GFCA COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)c1 170621670 LMJAHGGUYXWLPI-GXFFZTMASA-N 390.358 2.741 10 50 GFCA c1cnc(-c2n[nH]c(CNC3CCN(c4ccc5c(c4)CCC5)CC3)n2)cn1 1506429714 ZAZZVAJUHXBIRN-UHFFFAOYSA-N 375.480 2.509 10 50 GFCA COc1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)C(=O)NC2=S)c1 5091584 SDNKYTWLFIMIGR-SXGWCWSVSA-N 398.440 2.544 10 50 GFCA COCCSc1nnc(C2CCN(Cc3cccc(OC)c3O)CC2)n1C 14988033 NDKOPQTXEMSOQS-UHFFFAOYSA-N 392.525 2.647 10 50 GFCA CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(Cl)cc1Cl 2082931198 AWEUTCNEMZHQHN-LLVKDONJSA-N 388.276 2.694 10 50 GFCA COc1ccc(N2CC3(CN(C(=O)Cc4ccc5nc(C)[nH]c5c4)C3)C2)cc1 2100537608 RNIINTYQIHTHQW-UHFFFAOYSA-N 376.460 2.771 10 50 GFCA NS(=O)(=O)c1ccc(CCNC2CCN(c3ccc4c(c3)CCC4)CC2)cc1 952964875 QWGNBIWZMRJENY-UHFFFAOYSA-N 399.560 2.624 10 50 GFCA Cn1ccnc1CNC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 362806431 NMPPARDOXGTRBA-CYBMUJFWSA-N 397.401 2.644 10 50 GFCA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(OC)cc1OC 1195937 MTYUAJBFAFGUBO-ZDLGFXPLSA-N 394.427 2.972 10 50 GFCA C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(-n4cnnc4)nc3)cc2)C1 97099251 FOTQDHKCSJAOJW-MRXNPFEDSA-N 376.464 2.829 10 50 GFCA O=S(=O)(Cc1ccccc1Cl)NCc1ccc(N2CCOCC2)cc1 13646332 FXXKMGPLEOJNPR-UHFFFAOYSA-N 380.897 2.796 10 50 GFCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCOCC1 1217982 RUGHZALAGAKYHY-ACCUITESSA-N 382.532 2.588 10 50 GFCA C[C@@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 16212458 UVLFMZMQJLIRMT-COOUDCDJSA-N 383.379 2.722 10 50 GFCA Cc1cccc(C)c1OCCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1 2977595 WJIQIVHHTOSRJF-UHFFFAOYSA-N 380.400 2.511 10 50 GFCA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2O)N[C@H](c2ccccc2O)[C@@H]1[N+](=O)[O-] 33929640 QWRZREMQSRFAAJ-FZDBZEDMSA-N 387.392 2.800 10 50 GFCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NCCc1ccc(F)cc1 19608081 VAEIKBLFGOQXLH-WJDWOHSUSA-N 387.798 2.778 10 50 GFCA CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1131348 HPQYNVIGPLJRKK-UHFFFAOYSA-N 376.478 2.605 10 50 GFCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)NC[C@@H]3CCCO3)ccc12 1119444 ADZZSVYORPGJGJ-HNNXBMFYSA-N 397.427 2.937 10 50 GFCA COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CCN2[C@H]1[C@H]6[C@H]5C[C@H]43 247922734 CUSPGBAYZUUDOF-WBERCDQUSA-N 380.488 2.583 10 50 GFCA COC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)c(C)c1 1176752 LRFNJUGMMBWMJO-UHFFFAOYSA-N 398.440 2.640 10 50 GFCA Cc1cc(C)cc(OCCOc2ccccc2C=C2C(=O)NC(=S)NC2=O)c1 2977223 OGNDAAOLDDRYGT-UHFFFAOYSA-N 396.468 2.676 10 50 GFCA CCOc1cccc(CN2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)c1O 39500186 XUDDVNUVYXAABR-HXUWFJFHSA-N 385.508 2.563 10 50 GFCA COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(OC)c1O 2945280 OEHLMPCBLHQXRF-OVCLIPMQSA-N 396.399 2.693 10 50 GFCA CN1CCN(C(=O)CC[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 12709929 ZDNGPWCOWPTIBO-MRXNPFEDSA-N 379.932 2.812 10 50 GFCA O=C(CN1C(=O)/C(=C2\SC(=S)NC2=O)c2ccccc21)Nc1ccccc1 12614290 CPCUFDDSGFDQMR-NXVVXOECSA-N 395.465 2.531 10 50 GFCA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(N3CCCC3)cc2)C1 65362222 UEIAFMADZVNETO-FUHWJXTLSA-N 393.553 2.526 10 50 GFCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4cnn(C)c4C)C3)CC2)cc1 22914428 OWACDPQMCFBINS-OAQYLSRUSA-N 383.540 2.524 10 50 GFCA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 780561 DTAPSFPDOOIIOV-YVLHZVERSA-N 378.384 2.653 10 50 GFCA O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCOCC1 975286 ISDJVEGWXLJGLT-SQFISAMPSA-N 376.503 2.527 10 50 GFCA CN1C(=O)C(=Cc2cccn2-c2ccc(Br)cc2)C(=O)N(C)C1=O 1407068 HTVPZGITLULPLM-UHFFFAOYSA-N 388.221 2.674 10 50 GFCA O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cnc(-c2ccccc2)nc1 1179592 WETBYCWXWRDNPU-CPNJWEJPSA-N 398.422 2.848 10 50 GFCA COc1ccc(N2CCN(C3=CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 1077569 VEAQKUASDDCJQH-UHFFFAOYSA-N 397.862 2.928 10 50 GFCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1cccc(F)c1 1175317 MVIXKXHSHGZKOM-UHFFFAOYSA-N 384.363 2.553 10 50 GFCA COc1ccc(N2CC3(CN(C(=O)CCc4nc5ccc(F)cc5[nH]4)C3)C2)cc1 2100557188 XWELDQOTQKYNIV-UHFFFAOYSA-N 394.450 2.992 10 50 GFCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCC2 169354903 QDXLTUZRKPUQNP-FKGLVLAHSA-N 393.461 2.620 10 50 GFCA CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(OC)cc2OC)C1=O 4724266 YWHOVOMJYYKRAZ-WJDWOHSUSA-N 380.400 2.933 10 50 GFCA CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cc(Cl)ccc1Cl 2082945824 RVQBTQXXYRVUMS-LLVKDONJSA-N 388.276 2.694 10 50 GFCA C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)NCCc1ccc(O)c(O)c1 122248877 GBOHWFSZISZSIM-JTQLQIEISA-N 397.258 2.882 10 50 GFCA Cc1nc(CNC(=O)NC[C@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)no1 377879206 LEMGDRDADRLVBB-GFCCVEGCSA-N 399.373 2.602 10 50 GFCA NC(=O)COc1ccc(-c2c3cn[nH]c3nc3c2oc2c(O)c(O)ccc23)cc1 217671196 MBRBPKUDFCSPHO-UHFFFAOYSA-N 390.355 2.800 10 50 GFCA biogenic CC(C)(C)N(CCO)C(=O)CN1C(=O)/C(=C/c2ccccc2F)SC1=S 1235873 ZIXJHMGIYCWENS-UVTDQMKNSA-N 396.509 2.646 10 50 GFCA Cc1cc(N2CCOCC2)ccc1/C=c1\sc2nc3ccccc3n2c1=O 13941018 BYVUVLYHUKKCDK-UYRXBGFRSA-N 377.469 2.602 10 50 GFCA COc1cccc(N2C(=O)C(=Cc3ccc(OC)cc3OC)C(=O)NC2=S)c1 1857666676 SDNKYTWLFIMIGR-UHFFFAOYSA-N 398.440 2.544 10 50 GFCA Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c1 4981481 CFCBXUBRSKEDHE-GDNBJRDFSA-N 394.387 2.636 10 50 GFCA O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cnn(-c2ccccc2)c1 4754630 RZEJSXFIVYVTQD-CPNJWEJPSA-N 386.411 2.577 10 50 GFCA Cc1cc(C(=O)Nc2cnc(N(C)C)nc2)c(C)n1-c1ccc2c(c1)OCCO2 125163919 ZXGNEBGSEXSMNB-UHFFFAOYSA-N 393.447 2.974 10 50 GFCA Cc1cc(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)c(C)n1-c1ccccc1 299802465 MTVOSIPTDRGZSE-PMACEKPBSA-N 377.448 2.672 10 50 GFCA O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NC1CC1 888103824 BSGQELKEMKFAGN-UHFFFAOYSA-N 384.439 2.853 10 50 GFCA Cc1cc(C)cc(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1 2977141 IOXQPKPBYCUSHM-UHFFFAOYSA-N 396.468 2.676 10 50 GFCA CCCCOc1cccc(NC=C2C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)c1 2082945782 SHHXPUAGDDMSPQ-INIZCTEOSA-N 391.493 2.567 10 50 GFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1 1082209 FPXCAUDIWGMIGL-LFIBNONCSA-N 396.399 2.769 10 50 GFCA O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(I)c1 16488400 JAGUDTQMBCOXJX-UVTDQMKNSA-N 390.180 2.753 10 50 GFCA COc1ccc(-c2cnnc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 19225363 ZLHGXMNIWSSZJX-UHFFFAOYSA-N 377.448 2.882 10 50 GFCA CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCCn1ccnc1 100163446 QOENYVVJXUNPLA-GHRIWEEISA-N 382.424 2.858 10 50 GFCA COc1ccc(O)c([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=S)N23)c1 754557 ARZGLUBUNHECAH-APWZRJJASA-N 393.468 2.955 10 50 GFCA COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(Cl)c1O 1178817 JVSZNAUEZXDRLL-POHAHGRESA-N 390.754 2.860 10 50 GFCA CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCCC3)C2=O)cc1 13382174 YKHISWJUSXIYST-PTNGSMBKSA-N 376.503 2.909 10 50 GFCA O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccco1 1203437 MVFJHEQDISFYIS-XYOKQWHBSA-N 377.219 2.873 10 50 GFCA in-vitro CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(N3CCCC3)cc2)CC1 67629966 BARRGIWTNHKNSQ-MRXNPFEDSA-N 393.553 2.526 10 50 GFCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)CSC(C)C)C3)CC2)cc1 72150554 WXUUFJAKBOKDPR-LJQANCHMSA-N 391.581 2.950 10 50 GFCA O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2OC(F)(F)F)ccc1O 170617698 JKGBUPIBLZJMII-UHFFFAOYSA-N 394.283 2.705 10 50 GFCA CCOc1ccc(/C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)cc1 13522459 KUSRNXBGTZNERI-AQTBWJFISA-N 382.391 2.929 10 50 GFCA CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCC(=O)OC 16213754 GMWOIWWCWJYQFR-WDZFZDKYSA-N 387.866 2.779 10 50 GFCA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/Nc3cccc(C)c3)C2=O)c1 17086454 IYSHKOKGAOXYTJ-PTNGSMBKSA-N 381.388 2.591 10 50 GFCA COc1cc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc(OC)c1O 1800913 NBMMKPSIDCKDHT-OTAKNEKHSA-N 397.474 2.720 10 50 GFCA CCCCCN1C(=O)/C(=C2\SC(=S)N(NC(C)=O)C2=O)c2ccccc21 13534353 LVMWIMQKYDWYQU-PFONDFGASA-N 389.502 2.846 10 50 GFCA CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(O)cc3C(=O)O)cc2C1=O 4859777 KGNAMEZQMIFWIM-UHFFFAOYSA-N 396.399 2.985 10 50 GFCA Cc1cc(C[C@@H]2CN(C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@H]2O)on1 1529178426 KYCDNXNEUMEXBL-AUSIDOKSSA-N 381.520 2.976 10 50 GFCA O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 13649037 MSCKVVJWDUOVKK-UHFFFAOYSA-N 388.489 2.927 10 50 GFCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4cccc(C)n4)C3)CC2)cc1 55370574 QNJVKRWROMTWGH-FQEVSTJZSA-N 394.519 2.825 10 50 GFCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCCC4)o3)C2=O)cc1 875984 CVVSUSPVDSGGER-FOWTUZBSSA-N 381.388 2.555 10 50 GFCA O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCOCC1 13799618 KURLQJFFNXCMSE-KAMYIIQDSA-N 396.921 2.790 10 50 GFCA CN(C)c1ccc(CN2CCC[C@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 14980564 JVKNLZDDMVVQPO-FQEVSTJZSA-N 396.539 2.807 10 50 GFCA CCn1cc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cn1 2806904 ILWLSZVGIPIVLP-UWZYDCLUSA-N 387.486 2.800 10 50 GFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)cc1[N+](=O)[O-] 100637640 TVLDJJYDFXJKOT-XFXZXTDPSA-N 386.751 2.827 10 50 GFCA CN(C)c1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCCC4)nn3)C2)cc1 14980561 JVKNLZDDMVVQPO-HXUWFJFHSA-N 396.539 2.807 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)[C@H](C)C2)cc1 72439417 FOTQGXROSBISGQ-OAHLLOKOSA-N 381.476 2.613 10 50 GFCA O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1 10113462 WDCTXBHVMSXFGU-UHFFFAOYSA-N 380.897 2.796 10 50 GFCA C[C@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 72437629 QGJLOXSHWHGPNW-FUHWJXTLSA-N 393.553 2.526 10 50 GFCA COC(=O)c1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 16786944 HWEKDGAYBHWPNY-RPHSKFLZSA-N 379.459 2.784 10 50 GFCA COC(=O)C[C@@H](c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O)C(C)C 409413337 AGCQPFRTPRZJFI-OAHLLOKOSA-N 389.448 2.819 10 50 GFCA CSc1ncc(/C=C2/C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cn1 12382993 VJKULGQUVOULMY-NVNXTCNLSA-N 382.445 2.988 10 50 GFCA COC(=O)CC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[C@H]1N1CCOCC1 23153513 NHGGTNJUYMDESS-MAUKXSAKSA-N 396.915 2.522 10 50 GFCA CCc1cc(C(=O)COc2ccccc2)c(O)c(CN2CCC[C@H]2C(=O)O)c1O 5092958 MLXYYCAWSWRSNG-SFHVURJKSA-N 399.443 2.971 10 50 GFCA Cc1cccn2c(=O)c(/C=C3\SC(=S)NC3=O)c(NCc3ccco3)nc12 100617655 REHKRHHZTFJZMV-JYRVWZFOSA-N 398.469 2.697 10 50 GFCA COc1ccc(N2CC3(CN(C(=O)c4csc(-c5ncccn5)n4)C3)C2)cc1 2100548194 WYTNCYPDGHYBSR-UHFFFAOYSA-N 393.472 2.571 10 50 GFCA CC(=O)n1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(-c2ccc(F)cc2)n1 1083594 CSPZJGTVAAONIY-WOJGMQOQSA-N 390.374 2.811 10 50 GFCA Cc1ccc(N2NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1C 4982249 LMBBOCWQOTVENN-ZHZULCJRSA-N 377.444 2.601 10 50 GFCA CCCCOc1cccc(NC=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)c1 2082945783 SHHXPUAGDDMSPQ-MRXNPFEDSA-N 391.493 2.567 10 50 GFCA C[C@@H](NC(=O)Cc1c[nH]c2cnccc12)c1ccc(N2CCN(C)CC2)c(F)c1 2325746552 NOQFUPGXNQITNF-OAHLLOKOSA-N 395.482 2.874 10 50 GFCA CN1CCN(c2ccc(CN3C[C@H](c4ccc(F)cc4)[C@@H](N)C3)cc2F)CC1 221878522 WRTTYIGJNLLQHI-CTNGQTDRSA-N 386.490 2.643 10 50 GFCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccc(F)cc1 1062117 KZGNAUSNNRBWPL-UHFFFAOYSA-N 384.363 2.553 10 50 GFCA CCOC(=O)Nn1c2c(c3ccc(OC)c(OC)c3c1=O)C(=O)c1ccccc1-2 823246044 KIFWAVJOKMRKJI-UHFFFAOYSA-N 394.383 2.930 10 50 GFCA biogenic c1ccc(CN2CCCN(C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)nc1 1506416029 GNFMEPGQGUKEON-UHFFFAOYSA-N 394.519 2.987 10 50 GFCA CN1C(=O)C[C@@H](CNCc2ccc(N3CCCCC3)cc2)[C@@H]1c1cnn(C)c1 328627524 MVDGXUAYHCUCMV-PGRDOPGGSA-N 381.524 2.720 10 50 GFCA COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1O 1197524 OJDBEKLJQCLQRX-RIYZIHGNSA-N 398.440 2.549 10 50 GFCA COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CCN2[C@@H]1[C@H]6[C@H]5C[C@H]43 17045232 CUSPGBAYZUUDOF-OFWGEUMCSA-N 380.488 2.583 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cc4cccc(OC)c4oc3=O)CC2)cc1 1116082 KMCJFVRJVDJABA-UHFFFAOYSA-N 394.427 2.773 10 50 GFCA C[C@H]1CCCN(c2ccc(CNC(=O)c3cccc(-n4cnnc4)n3)cc2)C1 97823331 YWJKCOWKKPYYRX-INIZCTEOSA-N 376.464 2.829 10 50 GFCA O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1=NCCS1 2950917 MPJLTJBHMPGCOR-PKNBQFBNSA-N 397.572 2.949 10 50 GFCA CC(C)(C)n1cccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 30783549 JLPJPAGXIQZDLV-NTEUORMPSA-N 381.388 2.638 10 50 GFCA Cc1cc(O)nc(CNC(=O)NCCc2c(C)n3c4c(cccc24)CCC3)n1 426406106 KUAKNUWXNJZEIK-UHFFFAOYSA-N 379.464 2.742 10 50 GFCA CCN(CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)cc1 1160882 UMQAKZYVUCWFFU-UHFFFAOYSA-N 380.448 2.690 10 50 GFCA CCCOc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 4755810 CKAGRKOENBNQJD-OJNRTJSBSA-N 397.543 2.864 10 50 GFCA CN(C)c1cccc(N/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1 2892676 UIKIJTGLHAKJQC-KAMYIIQDSA-N 384.436 2.635 10 50 GFCA COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)cc1 1181827 IDLULTIPJUYYDX-MDWZMJQESA-N 388.832 2.886 10 50 GFCA O=C(Nc1ccc(O)cc1C(=O)O)c1ccccc1I 5092309 DIWDOWSYVLWDJN-UHFFFAOYSA-N 383.141 2.947 10 50 GFCA CCN(CC)C(=O)[C@@H]1C[C@@H](NCc2ccccc2O)CN1Cc1ccccc1 23362749 CMZWOCSXRCAIHJ-RTWAWAEBSA-N 381.520 2.993 10 50 GFCA COc1ccc(N2CCN(C(=O)c3ccccc3-n3cncn3)[C@H](C)C2)cc1 72418893 IMGJONRWEPXGKL-MRXNPFEDSA-N 377.448 2.627 10 50 GFCA COc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c(OC)c1 1127286 IXPUKALQKMCALF-VWQNNZLTSA-N 384.413 2.684 10 50 GFCA COc1ccc(/C=C2/C(=O)N=C(S)N(c3ccccc3)C2=O)c(OC)c1OC 1288475 HSIYTTYKFYMTCH-KAMYIIQDSA-N 398.440 2.955 10 50 GFCA Cn1nccc1NC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 373467087 RYEHSXMKMZFXFP-GFCCVEGCSA-N 383.374 2.967 10 50 GFCA CN1C(=O)N(C)C2(CCN(C3CCN(c4ccc5c(c4)CCC5)CC3)CC2)C1=O 1506417019 JQQTZDYNHKAONP-UHFFFAOYSA-N 396.535 2.503 10 50 GFCA CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1 10112124 ZZPNJNVQYPUZNQ-UHFFFAOYSA-N 387.505 2.978 10 50 GFCA COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(OC)cc1OC 849753 BJXGNNOERAKCLE-IUPCOXQMSA-N 387.432 2.555 10 50 GFCA Cc1ccc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1C 2834375 NSADEUGMJZVTBP-UHFFFAOYSA-N 380.400 2.511 10 50 GFCA Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1Cc1ccc(F)cc1 2978212 FEGBDSYDICMBLY-UHFFFAOYSA-N 377.375 2.887 10 50 GFCA Cn1c(-c2cc3ccc(O)c(CN4CCOCC4)c3oc2=O)nc2ccccc21 19707497 HSYVGZHIBXQICA-UHFFFAOYSA-N 391.427 2.885 10 50 GFCA biogenic CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(c3cccc(Cl)c3)CC1)C(=O)C2=O 6719073 XWDNRKSRCVTQKV-RTWAWAEBSA-N 388.895 2.953 10 50 GFCA CN1CCN(c2ccc(CN3CCC[C@H]3c3ccc(C(N)=O)s3)cc2)CC1 19228720 GGXATKZRYDYOSQ-SFHVURJKSA-N 384.549 2.936 10 50 GFCA COc1ccc(N2C(=O)/C(=C\Nc3cccc(N(C)C)c3)C(=O)NC2=S)cc1 2892778 ZHBBSHVIMROJFJ-ATVHPVEESA-N 396.472 2.505 10 50 GFCA Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Cl)c(C(=O)O)c3)C2=O)cc1 20233856 NUMDPEJYAAXPIO-ZROIWOOFSA-N 399.790 2.925 10 50 GFCA Cn1c(CO)nnc1[C@H]1CCCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C1 1506402114 ULQWQLQJRGBOIV-IBGZPJMESA-N 395.551 2.645 10 50 GFCA Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(O)c(Sc2ncn[nH]2)c1 5447759 UVXSQEMYMDQATO-UHFFFAOYSA-N 380.426 2.910 10 50 GFCA CN(C)c1ccc(/C=C/CN2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)cc1 12152785 TVBNTEYTHPCUPS-ONEGZZNKSA-N 394.523 2.587 10 50 GFCA COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1 253420233 VCHBANFMGOCAKW-BZNIZROVSA-N 382.432 2.783 10 50 GFCA CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)ccc1O 723630 WRDNTSSLVDUWGW-JLHYYAGUSA-N 398.440 2.631 10 50 GFCA Cc1cc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c([N+](=O)[O-])cc1C 1231175 RDQJUWMDRWLWRY-UHFFFAOYSA-N 383.360 2.905 10 50 GFCA Cc1cccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1C 3015091 HNUBIHWJIPCDEH-UHFFFAOYSA-N 388.518 2.819 10 50 GFCA C[C@@H]1CC[C@](C(N)=O)(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C1 101172637 DMABCDOEBFJPEP-IVZQSRNASA-N 377.444 2.889 10 50 GFCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)sc2c1CCCC2 169354904 QDXLTUZRKPUQNP-FIXIBIHLSA-N 393.461 2.620 10 50 GFCA CN1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 20025467 YTNCBLAZOJWFGY-WYMLVPIESA-N 395.575 2.504 10 50 GFCA COc1ccc(O)c([C@H](C)NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1 253420237 VCHBANFMGOCAKW-MEDUHNTESA-N 382.432 2.783 10 50 GFCA COc1ccc(/C=C2/C(=O)NN(c3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 1772491313 CLKGZSAFXBFFPT-PDGQHHTCSA-N 380.400 2.722 10 50 GFCA C[C@H](NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1)c1ccccc1 17027250 WBSKXLXJKAQVAA-ZDUSSCGKSA-N 393.399 2.533 10 50 GFCA CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 5564702 UYPOCOXBZCVZCH-ATVHPVEESA-N 393.399 2.751 10 50 GFCA COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1 4819598 GBPZQBCVRRVIAP-XNTDXEJSSA-N 395.327 2.888 10 50 GFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1 843148 AHXCATBYGKOQHP-LICLKQGHSA-N 380.400 2.987 10 50 GFCA O=c1oc2c(CN3CCOCC3)c(O)ccc2cc1-c1nc2ccccc2[nH]1 19789423 XZYFLFLATYOYTA-UHFFFAOYSA-N 377.400 2.874 10 50 GFCA O=C(c1cn(C2CCN(Cc3cc(Cl)ccc3O)CC2)nn1)N1CCCC1 12079475 HTGRTUQGAUOFLB-UHFFFAOYSA-N 389.887 2.710 10 50 GFCA O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1cc2ccccc2[nH]1 1137914 JAABPPKJHHDVPY-XNTDXEJSSA-N 375.340 2.533 10 50 GFCA COc1ccc2nc(N/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)sc2c1 2904160 LKLHTCLNSNWQEW-RAXLEYEMSA-N 394.412 2.884 10 50 GFCA COc1cccc(N/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)c1 2828646 IZQVCPNWRZNHNR-XNTDXEJSSA-N 385.807 2.923 10 50 GFCA COCCN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 2834743 PEEXDTDZMXBEQL-KHPPLWFESA-N 399.291 2.619 10 50 GFCA CN(C)CCOC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 4839239 PUGAVPFRIVQGLM-SDNWHVSQSA-N 382.482 2.522 10 50 GFCA COC(=O)C[C@H](C(=O)OC)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 4278711 XCLVUASGBWIIHX-MJTSJCSBSA-N 391.470 2.549 10 50 GFCA O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccc(O)c1 13371379 SWZOJZOXQKIJOU-NTEUORMPSA-N 387.189 2.821 10 50 GFCA CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(C)C3=O)c2c1 1134874 DRHNGXDZWNGQKI-LFIBNONCSA-N 384.457 2.894 10 50 GFCA O=C1N=C(O)/C(=C\c2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1 2992723 TWWWKARYNOLSAO-UHFFFAOYSA-N 397.343 2.642 10 50 GFCA CC(=O)N1CCC2(CC1)CN(C(=O)c1cc(C)n(-c3ccccc3)c1C)CCO2 820569525 WVMHCQAIZKIISW-UHFFFAOYSA-N 395.503 2.948 10 50 GFCA COc1ccc(CN(C)Cc2nnc(SC)n2C[C@H]2CCCO2)c(O)c1 12037236 XAXFLZBTWNFAOM-OAHLLOKOSA-N 378.498 2.525 10 50 GFCA CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)CC1 1215273 QSUBSVUYFBBWGM-LGMDPLHJSA-N 387.505 2.998 10 50 GFCA O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccc(N2CCOCC2)cc1 13673242 KXEYCWQONJJSOY-UHFFFAOYSA-N 398.887 2.935 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cn(C)c(=O)c4ccccc34)CC2)cc1 2927740 VPTJWZNORUOXJO-UHFFFAOYSA-N 377.444 2.510 10 50 GFCA Cc1ccc2nsnc2c1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 1050236 FZONWTIVKJSKTP-UHFFFAOYSA-N 392.481 2.650 10 50 GFCA COC(=O)[C@@H](NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(O)c(O)c1 2325802896 CZVXAOUKCRBPNP-SJCJKPOMSA-N 375.446 2.917 10 50 GFCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)sc2c1CCCC2 239174509 QDXLTUZRKPUQNP-YIKOMLBNSA-N 393.461 2.620 10 50 GFCA COc1cccc(N2C(=O)NC(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C2=O)c1 5043779 JLFMQYXEFOZXJS-RMASLCFXSA-N 393.355 2.826 10 50 GFCA COc1cc(/C=C2\SC(=S)NC2=O)c(Br)cc1OC(C)=O 15016418 QBFLIBBVBIZCPB-WCIBSUBMSA-N 388.264 2.872 10 50 GFCA Cn1cncc1CNC(=O)NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 368629335 ZETGFOOEEXGSAW-CYBMUJFWSA-N 397.401 2.644 10 50 GFCA COc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc3ccccc3n2C)C1=O 1220036 VMJPGLRHKPYIOB-NTCAYCPXSA-N 375.384 2.853 10 50 GFCA CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1OC 1202276 NRRYDXUIYXZVIE-XNTDXEJSSA-N 384.363 2.899 10 50 GFCA CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cc(Cl)ccc1Cl 2082945825 RVQBTQXXYRVUMS-NSHDSACASA-N 388.276 2.694 10 50 GFCA CCCCN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)NC1=S 5867939 HUNMGLGNNKLFAV-VBKFSLOCSA-N 398.444 2.812 10 50 GFCA CN1C(=O)C(=Cc2ccccc2OCCOc2ccccc2)C(=O)N(C)C1=O 2992680 PXQVQLGKNZBVBG-UHFFFAOYSA-N 380.400 2.578 10 50 GFCA C[C@@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCCC2)cc1 65365224 SKSYKJAIWJXWFG-MRXNPFEDSA-N 393.553 2.526 10 50 GFCA COc1ccc(OC)c(/C=C2/C(=O)N=C(O)N(Cc3ccc(F)cc3)C2=O)c1 17195478 YPQZINFTUPHPCQ-YBEGLDIGSA-N 384.363 2.709 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)[C@@H](C)C2)cc1 72439419 FOTQGXROSBISGQ-HNNXBMFYSA-N 381.476 2.613 10 50 GFCA CCOc1cccc(CN2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)c1O 23375088 BYXGCYQRPBXMSQ-FQEVSTJZSA-N 388.483 2.999 10 50 GFCA O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1cc(O)ccc1Br 4915987 UKNOAPUDOSNGFF-JYRVWZFOSA-N 377.169 2.755 10 50 GFCA COC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCCC2 239439120 ZLTHESMHGNSUOR-TXFQPVFDSA-N 375.446 2.875 10 50 GFCA Cc1ccc(OCCOc2ccccc2C=C2C(=O)NC(=S)NC2=O)c(C)c1 2977577 RYQNVHHQIXULAM-UHFFFAOYSA-N 396.468 2.676 10 50 GFCA COc1cccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1 4884947 GZOBDFLGKAJXAT-UHFFFAOYSA-N 380.491 2.925 10 50 GFCA COc1ccccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2O)C1=O 13689361 NIOGAFZBIFPTJN-GDNBJRDFSA-N 386.454 2.947 10 50 GFCA COc1ccccc1-c1coc2c(CN3CCN(C)CC3)c(O)ccc2c1=O 19682131 BJAMGQQQXIDWLU-UHFFFAOYSA-N 380.444 2.922 10 50 GFCA biogenic COc1ccc(O)c(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c1 20783593 APQUSVMXDQAESG-KRWDZBQOSA-N 392.446 2.748 10 50 GFCA Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1NS(C)(=O)=O 13669327 RZBHKWHDNAZMTO-UHFFFAOYSA-N 387.505 2.897 10 50 GFCA Cc1ccc(C(=O)Oc2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)cc1 1120232 SLTHCNFLQWTYKL-UHFFFAOYSA-N 378.384 2.648 10 50 GFCA COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1OC 1197495 WSUCKXSCXJUZOM-RVDMUPIBSA-N 382.441 2.844 10 50 GFCA COc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)ccc1O 23550050 CLZGHEMQFJXGFQ-JYRVWZFOSA-N 389.205 2.625 10 50 GFCA Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 4163932 SBOCOXNHJQIJPO-HXUWFJFHSA-N 386.517 2.891 10 50 GFCA CCSCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 3879090 AAPKLJGUPMOSTP-MRXNPFEDSA-N 379.551 2.842 10 50 GFCA Oc1ccc(Cl)cc1CN1CCC[C@@H](NC2CCN([C@@H]3CCOC3)CC2)C1 848530633 INWIEKWDXNGWDE-WOJBJXKFSA-N 393.959 2.853 10 50 GFCA CCOc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O 16183821 SEAUZAWDGJPPBL-DHDCSXOGSA-N 384.363 2.592 10 50 GFCA Cc1cccc(C)c1OCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 2180404 HDHXLKYBOVQSOY-UHFFFAOYSA-N 396.468 2.676 10 50 GFCA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2O)N[C@@H](c2ccccc2O)[C@@H]1[N+](=O)[O-] 13151601 QWRZREMQSRFAAJ-XLAORIBOSA-N 387.392 2.800 10 50 GFCA CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3)C2=O)cc1 4644857 FGVITPHVHAVZED-ATVHPVEESA-N 394.383 2.538 10 50 GFCA O=S(=O)(Nc1ccc(O)cc1)c1ccc(I)cc1 4660906 MGNNKBBFUNXQRX-UHFFFAOYSA-N 375.187 2.798 10 50 GFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1O 6188620 OIEFRHLNLQWCAS-OQLLNIDSSA-N 380.400 2.992 10 50 GFCA O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\N1CCCCC1 100952498 NKUQKPMULTWSQT-RAXLEYEMSA-N 394.294 2.567 10 50 GFCA Cc1nc(CCNC2CCN(c3ccc4c(c3)OCO4)CC2)nc2c1CCC2 1506403023 LWDRWYBRNZHGLB-UHFFFAOYSA-N 380.492 2.804 10 50 GFCA COc1cccc(CN(C)Cc2nnc(SC)n2C[C@@H]2CCCO2)c1O 14985069 HSGJRFRBDCPQDY-AWEZNQCLSA-N 378.498 2.525 10 50 GFCA N=C1/C(=C/c2cc([N+](=O)[O-])ccc2O)C(=O)N=C2SC(c3ccccc3)=NN12 55477665 TZLGNBFWJPYVNH-CXHQGSNTSA-N 393.384 2.968 10 50 GFCA COc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)c1O 22852470 OSODXLBUXSYQFB-QGZVFWFLSA-N 392.446 2.748 10 50 GFCA COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=S)N32)c1O 22018330 HPDXAFVSOGZKPN-CRAIPNDOSA-N 393.468 2.955 10 50 GFCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)CCSC)C3)CC2)cc1 19837892 BZTWPKRUVZCDEG-SFHVURJKSA-N 377.554 2.561 10 50 GFCA COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(CO)o4)C3)CC2)cc1 23373301 PHBPXEPLKGROMF-LJQANCHMSA-N 385.508 2.567 10 50 GFCA COc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(C)c3ccccc23)C1=O 2049286367 VWFRDTYWSMYKIC-UHFFFAOYSA-N 375.384 2.853 10 50 GFCA O=C(O)COc1ccc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)cc1 17028859 NVPVFFMZDATEQL-LCYFTJDESA-N 384.319 2.796 10 50 GFCA COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C1=O)OCO2 14010839 PJNTXURRBATSRY-CHHVJCJISA-N 394.383 2.707 10 50 GFCA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 970756 YMQFOXFXAJDEPE-WQRHYEAKSA-N 392.411 2.741 10 50 GFCA CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(N2CCOCC2)c(F)c1 328632219 LEIYOOFVHJXNJI-ICSRJNTNSA-N 388.487 2.889 10 50 GFCA COc1ccc(N2CC3(CN(C(=O)CCc4n[nH]c5c4CCCC5)C3)C2)cc1 2356163022 PMWSDKQMXYCXAK-UHFFFAOYSA-N 380.492 2.579 10 50 GFCA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2O)N[C@H](c2ccccc2O)[C@H]1[N+](=O)[O-] 239402657 QWRZREMQSRFAAJ-XMTFNYHQSA-N 387.392 2.800 10 50 GFCA COc1ccc(O)c(CN2CCC(n3cc(C(=O)NC4CCCC4)nn3)CC2)c1 12125488 LKHYKCSJCLLPBO-UHFFFAOYSA-N 399.495 2.502 10 50 GFCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)CC(F)(F)F)C3)CC2)cc1 55255872 GJNVIAMEDOJQTL-INIZCTEOSA-N 385.430 2.761 10 50 GFCA O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 4815408 ARYRBCNUKOYMQZ-XFFZJAGNSA-N 377.765 2.673 10 50 GFCA COc1cccc(CN2CCN(CCCc3ccccc3)[C@@H](CCO)C2)c1O 20774054 YKNWZOKVVDBCIJ-NRFANRHFSA-N 384.520 2.902 10 50 GFCA COc1cccc(CN2CCC3(CC[C@@H](CNC(=O)C(C)C)O3)CC2)c1O 11783921 HCVKYWHPGLWNHL-KRWDZBQOSA-N 376.497 2.687 10 50 GFCA CCn1cc(CN2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cn1 20453730 CSXKXYJTKZALFF-OAQYLSRUSA-N 383.540 2.698 10 50 GFCA CCCOc1ccccc1/C=C1/SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 4994482 HTQJRKXFLJRZSI-LERPTODRSA-N 397.543 2.864 10 50 GFCA CCOc1cccc(CN2CCN(Cc3cccs3)[C@@H](CCO)C2)c1O 20598891 IPQKBOPXQQPDEG-KRWDZBQOSA-N 376.522 2.921 10 50 GFCA COC(=O)C[C@H](c1c(O)n(CCc2ccc(O)c(O)c2)c(C)cc1=O)C(C)C 409413336 AGCQPFRTPRZJFI-HNNXBMFYSA-N 389.448 2.819 10 50 GFCA COc1ccc(N2CCN(C(=O)c3ccc(-n4cnnc4)cc3Cl)CC2)cc1 6702001 ARGZBLLSAKGTJS-UHFFFAOYSA-N 397.866 2.892 10 50 GFCA O=C1NC(=S)N=C(O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 17195219 OFIFYIOMYBQRHG-UHFFFAOYSA-N 383.385 2.928 10 50 GFCA COc1cc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc(OC)c1O 26771505 NBMMKPSIDCKDHT-BWODNOAJSA-N 397.474 2.720 10 50 GFCA Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N3CCOCC3)C2=O)cc1 13785466 QJLQQQXNNAMRKN-SSZFMOIBSA-N 390.530 2.835 10 50 GFCA COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N=C2O)c1C 1161790 WJQUOHYYSXGEBI-UHFFFAOYSA-N 384.348 2.601 10 50 GFCA CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 12512047 PJPYDQFASVETKG-MRXNPFEDSA-N 391.903 2.956 10 50 GFCA COCCN1C(=O)/C(=C/c2ccc(I)o2)SC1=S 2960766 MJZIBJMUSYDSHY-VURMDHGXSA-N 395.243 2.732 10 50 GFCA Cc1nn(C)cc1CN1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 20606640 JDUYGHHGZJUGRJ-PDGQHHTCSA-N 381.505 2.517 10 50 GFCA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(N3CCCC3)cc2)C1 106230270 UEIAFMADZVNETO-AEFFLSMTSA-N 393.553 2.526 10 50 GFCA Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c1 1857666425 CFCBXUBRSKEDHE-UHFFFAOYSA-N 394.387 2.636 10 50 GFCA COc1ccc(N2CCN([C@H]3CCCN(Cc4cnn(C)c4C)C3)CC2)cc1 22914433 OWACDPQMCFBINS-NRFANRHFSA-N 383.540 2.524 10 50 GFCA CCOc1cccc(CN2CCN(Cc3ccccc3F)[C@@H](CCO)C2)c1O 257372141 MUXURHGFMARMBN-IBGZPJMESA-N 388.483 2.999 10 50 GFCA Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)c1 1084320 ZUPBVXSTUGBIAF-UHFFFAOYSA-N 386.411 2.906 10 50 GFCA Cc1n[nH]cc1CNC(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 371518580 ZFMZDOSEGYWFAT-ZDUSSCGKSA-N 397.401 2.942 10 50 GFCA COc1ccc(N2CCN(C(=S)Nc3ccc4c(c3)OCCO4)CC2)cc1 6398238 VSSXBQGZEIGPSA-UHFFFAOYSA-N 385.489 2.985 10 50 GFCA N=C1S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C(=O)N1c1nonc1N 8846315 BJVRDHKCZLMLRR-ACEYWMDKSA-N 397.372 2.666 10 50 GFCA COc1ccc(N2CCN(C(=O)c3ccc(Cn4cccn4)o3)[C@H](C)C2)cc1 72479139 FHWAFIGGRKYMIQ-MRXNPFEDSA-N 380.448 2.884 10 50 GFCA Cc1ccc(-c2nc3sccn3c2C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 4003175 OIKZQAOKVOCBSQ-UHFFFAOYSA-N 380.429 2.805 10 50 GFCA CCOC(=O)COc1ccccc1/C=C1/C(=O)NN(c2ccc(CC)cc2)C1=O 16184017 WHTRKPDTRYPXJG-AQTBWJFISA-N 394.427 2.652 10 50 GFCA CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1 1180526 PVSCQFLWHYTJNR-UHFFFAOYSA-N 398.440 2.722 10 50 GFCA CCN(CC)c1ccc(CN(C(=O)c2ccco2)[C@@H]2CCS(=O)(=O)C2)cc1 4302377 DIRFQILOMNEXTK-GOSISDBHSA-N 390.505 2.955 10 50 GFCA C[C@@H](NC(=O)c1cccc2c1nc(O)n2C)c1ccc(N2CCN(C)CC2)cc1 2325804424 MYSHIYTZPKQNSS-OAHLLOKOSA-N 393.491 2.522 10 50 GFCA Cc1c(NS(C)(=O)=O)cccc1C(=O)NCc1ccc(N2CCCC2)cc1 13646988 IVVXYFBCTQLSRR-UHFFFAOYSA-N 387.505 2.897 10 50 GFCA Cc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 1175645 VJWYIRZKDHTUGF-NTUHNPAUSA-N 375.787 2.978 10 50 GFCA CCOc1cccc(N2C(=O)/C(=C/c3ccccc3OC)C(=O)NC2=S)c1 1203327 DHWFXKHPMQLHDI-LFIBNONCSA-N 382.441 2.925 10 50 GFCA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 1186548 AGIMKCSWOGGFKY-UHFFFAOYSA-N 398.444 2.601 10 50 GFCA COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] 1857666442 PIAMPNJGEXRXAN-UHFFFAOYSA-N 381.344 2.578 10 50 GFCA COc1ccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1 1123120 GGMVCJBLDURXMQ-UHFFFAOYSA-N 383.473 2.754 10 50 GFCA Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(C)c1 49740694 CVWUABXFYYJKOJ-UHFFFAOYSA-N 387.549 2.842 10 50 GFCA CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S 1227091 DMMNATWUZUXCKV-IBPBOOLHSA-N 376.459 2.709 10 50 GFCA O=C1/C(=C\c2ccccc2)SC(=S)N1NS(=O)(=O)c1ccccc1 1231002 YMWXQEPXNNIXDH-SDNWHVSQSA-N 376.484 2.781 10 50 GFCA O=C1Nc2ccccc2/C1=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O 1749950 SRIKEVHBJPZBFZ-BUHFOSPRSA-N 381.438 2.555 10 50 GFCA COc1ccc(N2CCN([C@H]3CCCN(Cc4ccc(CO)o4)C3)CC2)cc1 23373304 PHBPXEPLKGROMF-IBGZPJMESA-N 385.508 2.567 10 50 GFCA COc1ccc(CN2CCCC2)c([C@H](C(=O)O)N2Cc3ccccc3C2=O)c1O 2356139836 ZZCOANRVKMGASW-LJQANCHMSA-N 396.443 2.778 10 50 GFCA O=C1N/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 4702371 PERUTBJDXVHNIW-FOWTUZBSSA-N 394.387 2.529 10 50 GFCA COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(OC)c1O 5063962 VSZZZGVXORBZEN-KRWDZBQOSA-N 399.472 2.841 10 50 GFCA COc1cccc(CN(C)Cc2nnc(SC)n2C[C@H]2CCCO2)c1O 14985072 HSGJRFRBDCPQDY-CQSZACIVSA-N 378.498 2.525 10 50 GFCA O=C(NCCNC1CCN(c2ccc3c(c2)OCO3)CC1)c1ccc(F)cc1 1506416164 JEDFUMNZIWYHNR-UHFFFAOYSA-N 385.439 2.543 10 50 GFCA O=C1NC(=S)N=C(O)/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1085911 KSEGUYJLIPPXJP-UHFFFAOYSA-N 383.385 2.928 10 50 GFCA COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccc(F)cc1 2844894 HHFKNVICQFBECF-UHFFFAOYSA-N 398.390 2.847 10 50 GFCA Cc1cccc(CN2CCN(Cc3cc(Cl)ccc3O)C[C@H]2CCO)n1 104539778 CJOSCGTUAXWAKI-LJQANCHMSA-N 375.900 2.818 10 50 GFCA CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc3c(cc2OC)OCO3)C1=O 4680557 FCOXWOSKWXBGFB-ZSOIEALJSA-N 394.383 2.653 10 50 GFCA O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)N1CCCC1 1180382 KEBSSAMTGNICJQ-GDNBJRDFSA-N 390.486 2.629 10 50 GFCA biogenic CSc1nnc(CN(C)Cc2ccc(N(C)C)cc2)n1C[C@H]1CCCO1 14997477 QNNYMHBUMDZLAH-QGZVFWFLSA-N 375.542 2.877 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cc(C)nc4c3c(C)nn4C)CC2)cc1 27985172 MQVJTKKZXHXLNP-UHFFFAOYSA-N 379.464 2.556 10 50 GFCA COc1ccc(O)c([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)C(=S)N32)c1 754559 ARZGLUBUNHECAH-LPHOPBHVSA-N 393.468 2.955 10 50 GFCA COc1ccc(Br)cc1/C=C1/SC(=S)N(CC(=O)O)C1=O 2908001 NVMMQRIEVFYEDT-BJMVGYQFSA-N 388.264 2.744 10 50 GFCA Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(OCC(=O)O)cc3)C2=O)c1 9045160 IDIGBPJPEGXFHG-YBEGLDIGSA-N 380.356 2.965 10 50 GFCA COc1ccc(CNC(=O)C2CCN(Cc3cccc(OC)c3O)CC2)cc1 15855974 PDNWQMXMCKZTMV-UHFFFAOYSA-N 384.476 2.938 10 50 GFCA COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(OC)c1 1192580 FBUXYRGXRWWIPM-RVDMUPIBSA-N 396.399 2.687 10 50 GFCA Cc1ccc(C)c(OCCOc2ccccc2C=C2C(=O)NC(=O)NC2=O)c1 2977565 UOUDNDPFRKNJOU-UHFFFAOYSA-N 380.400 2.511 10 50 GFCA O=C(NCc1ccc(N2CCCCC2)cc1)N[C@@H](CO)CCc1ccncc1 1875273629 VRFBNTXNBIGYFR-HXUWFJFHSA-N 382.508 2.865 10 50 GFCA COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(=O)N3CCOCC3)ccc12 2843138 BXCDOEDIHHLFRD-UHFFFAOYSA-N 383.400 2.501 10 50 GFCA CCn1cc([C@@H]2N=C(O)CC[C@H]2NCc2ccc(N3CCOCC3)cc2)cn1 328650600 VOKUNWKVTUHQLY-CTNGQTDRSA-N 383.496 2.689 10 50 GFCA COC(=O)c1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 16786946 HWEKDGAYBHWPNY-YQCJOKCJSA-N 379.459 2.784 10 50 GFCA CN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O 5061461 QOZTWCYGSXDEOB-WQLSENKSSA-N 375.178 2.801 10 50 GFCA CN(c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1)S(C)(=O)=O 65364525 KLPFFOUXTHMWIH-UHFFFAOYSA-N 387.505 2.613 10 50 GFCA Cc1ccccc1N1C(=O)NC(=O)/C(=C/NCCc2c[nH]c3ccccc23)C1=O 19597148 YDCXXIUWJQPFNT-LGMDPLHJSA-N 388.427 2.775 10 50 GFCA CCC[C@@]1(C(=O)O)CN(C2CCN(c3ccc(OC)cc3)CC2)CC[C@H]1O 2356156495 DUKWHZKVIHESIH-TZIWHRDSSA-N 376.497 2.602 10 50 GFCA O=S(=O)(Nc1ccc2c(c1)CN(CC(F)(F)F)C2)c1cccc2nonc12 840918016 OAUQQWBWRYDFBA-UHFFFAOYSA-N 398.366 2.902 10 50 GFCA COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(OC)cc1OC 849751 BJXGNNOERAKCLE-FNTDYBJHSA-N 387.432 2.555 10 50 GFCA CCOC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 55385558 PQVDZMHHMPAZDG-UHFFFAOYSA-N 397.475 2.633 10 50 GFCA CN1CCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 4362628 ICXZDLIUAROBMP-UHFFFAOYSA-N 379.913 2.570 10 50 GFCA CCOc1cccc(CN2CCN(Cc3ccsc3)[C@H](CCO)C2)c1O 39485036 VOUMDVDAFHYTEL-GOSISDBHSA-N 376.522 2.921 10 50 GFCA O=C1c2ccccc2-c2onc3c(N4CCOCC4)cc(N4CCOCC4)c1c23 850329 UMXMTWGHUQLTSA-UHFFFAOYSA-N 391.427 2.712 10 50 GFCA COC(=O)c1c(NC(=O)C[C@H]2Nc3ccccc3NC2=O)sc2c1CCC2 4335140 VOSFEFZYFUYDDF-CYBMUJFWSA-N 385.445 2.785 10 50 GFCA O=C1/C(=C\NC[C@@H]2CCCO2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 100478128 PNBABHZPEIJSRF-OWBBTNHHSA-N 392.415 2.998 10 50 GFCA COC(=O)c1ccsc1NC(=O)N1CCN(c2ccc(OC)cc2)CC1 17076793 MSEUNKSVXOARSE-UHFFFAOYSA-N 375.450 2.897 10 50 GFCA O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Cn2ccnc2)cc1 44910923 RAGAFFFHDYUGIE-UHFFFAOYSA-N 376.460 2.698 10 50 GFCA O=C1N=C(N2CCN(CCO)CC2)S/C1=C\c1ccc(-c2ccccc2)cc1 639516 IBEWMFVUBLAYJT-SILNSSARSA-N 393.512 2.934 10 50 GFCA CCN1C(=O)/C(=C/c2ccc(OC)c(CN3CCOCC3)c2)SC1=S 19850550 QNUYZTNOTILTPG-WJDWOHSUSA-N 378.519 2.749 10 50 GFCA CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3C(=O)O)o2)C(=O)N(C)C1=O 4557769 KVHDDNXSSBRLRZ-UHFFFAOYSA-N 388.763 2.732 10 50 GFCA COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4)n3)CC2)cc1 9013710 RNFOWWPOXGVPAE-UHFFFAOYSA-N 391.479 2.528 10 50 GFCA CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)C1 1123330 FXRKQKPHJCPKHB-ZKMNFCBKSA-N 387.505 2.998 10 50 GFCA COc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1O 19850552 RYIRHWNORFTXAB-UHFFFAOYSA-N 378.476 2.836 10 50 GFCA COc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c(O)c1 19882871 UTRSIPYEKSQUKC-UHFFFAOYSA-N 378.476 2.836 10 50 GFCA NC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)CC1 1164331 LUNZJZBQHCWLGR-UKTHLTGXSA-N 394.294 2.617 10 50 GFCA COC(=O)c1c(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)sc2c1CCC2 2890072 VOSFEFZYFUYDDF-ZDUSSCGKSA-N 385.445 2.785 10 50 GFCA COc1cccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1OCc1ccccc1 1169110 AHZGHGOOCGWVJD-UHFFFAOYSA-N 380.400 2.708 10 50 GFCA Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1-n1ccnc1-c1ccc(N(C)C)cc1 1857704180 HCIHJIGYFUTIAR-SFHVURJKSA-N 399.520 2.778 10 50 GFCA CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 12709922 ZDNGPWCOWPTIBO-INIZCTEOSA-N 379.932 2.812 10 50 GFCA Cc1cc(I)cc(/C=C2/SC(=S)NC2=O)c1O 113831062 NESQMBIVDKFZBC-XBXARRHUSA-N 377.228 2.794 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cnn4c(C)cc(C)nc34)[C@@H](C)C2)cc1 72438559 BUXLTXLGAPZHLR-INIZCTEOSA-N 379.464 2.706 10 50 GFCA COCCCNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 4815231 LITDBOGQWUOWOF-CAPFRKAQSA-N 381.476 2.676 10 50 GFCA CCOc1cc(/C=C2\NC(=S)N(C)C2=O)cc(Br)c1OCC 15010515 NJJJZUGBIDBNPE-XFFZJAGNSA-N 385.283 2.934 10 50 GFCA CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@]12CCCN(CC1)C2 822979041 GBLCOYAYGSPGEJ-QFIPXVFZSA-N 387.524 2.861 10 50 GFCA COc1cc(C(=O)NN2C(=O)/C(=C/c3ccccc3)SC2=S)ccc1O 1208770 ODIDLRPIXGAKNG-DHDCSXOGSA-N 386.454 2.947 10 50 GFCA O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\C=C\c1ccccc1[N+](=O)[O-] 5043959 YKRRTGZXVNZKSZ-XWDZFIQBSA-N 379.397 2.982 10 50 GFCA CN1CCN(c2ccc(CNC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1 72119194 WNWXCZRHICFYGB-UHFFFAOYSA-N 393.531 2.803 10 50 GFCA CCOCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(CC)CC)cc1 4409532 PPPIDSOAGZILLD-GOSISDBHSA-N 391.537 2.905 10 50 GFCA CN1CCN(C(=O)CSc2ncc(-c3ccccc3)n2CC(F)(F)F)CC1 194635325 JVFRGSHSONOUTJ-UHFFFAOYSA-N 398.454 2.979 10 50 GFCA CS(=O)(=O)C[C@@H]1CCCN(C2CCN(c3ccc4c(c3)CCC4)CC2)C1 1506398190 IJXNPXQNGHDDQP-QGZVFWFLSA-N 376.566 2.901 10 50 GFCA COc1cc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC 1147479 DMEUIXSICHHNQG-CXUHLZMHSA-N 382.416 2.791 10 50 GFCA COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1ccccc1Cl 1194312 AIXUOIQSOAMBHU-UHFFFAOYSA-N 386.791 2.677 10 50 GFCA Cc1nc(CNC(=O)NC[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)no1 377879207 LEMGDRDADRLVBB-LBPRGKRZSA-N 399.373 2.602 10 50 GFCA C[C@H](NC(=O)Cc1cnn2ccccc12)c1ccc(N2CCN(C)CC2)cc1 2325754903 HJKQAEMEMQVZRH-KRWDZBQOSA-N 377.492 2.506 10 50 GFCA Cc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nnn1C1CCNCC1 237220138 WQLQHGIYBBCHNN-UHFFFAOYSA-N 396.539 2.774 10 50 GFCA CN1C(=O)C(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N(C)C1=O 1086674 ZLTWYNOPIFMANR-UHFFFAOYSA-N 395.371 2.608 10 50 GFCA COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1OCc1ccc(Cl)cc1 1193130 JIIXUHQEMQVEID-UHFFFAOYSA-N 386.791 2.677 10 50 GFCA Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=S)NC2=O)cc1 1175662 HNLSLYRVMHKENO-UHFFFAOYSA-N 388.452 2.762 10 50 GFCA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cnc(-c2ccccc2)nc1 2831941 UZPOBYSRFHZANC-LICLKQGHSA-N 388.358 2.949 10 50 GFCA O=C(NCc1ccc(N2CCOCC2)cc1)C1(c2ccccc2)CCOCC1 56199684 IERFFDZIVFJCKN-UHFFFAOYSA-N 380.488 2.888 10 50 GFCA CNC(=O)c1ccc([C@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)n1C 328625131 CTSBIFLUIUCQSZ-OAQYLSRUSA-N 396.535 2.949 10 50 GFCA COC(=O)C1=CN(c2ccc(OC)cc2OC)c2ccc(F)cc2S1(=O)=O 263615180 BAHGSBCSEITVMH-UHFFFAOYSA-N 393.392 2.783 10 50 GFCA COc1cccc(/C=C2/C(=O)NC(=O)N=C2O)c1OCc1ccc([N+](=O)[O-])cc1 1135831 UZOLJCBMZNLASF-UHFFFAOYSA-N 397.343 2.772 10 50 GFCA CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(C(C)(C)C)cc1 2082927041 UIQNKMORYVUHPM-INIZCTEOSA-N 375.494 2.685 10 50 GFCA CN(C)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 2832258 YCOXPGGBBHVNIC-WJDWOHSUSA-N 384.823 2.985 10 50 GFCA OC1(c2ccccn2)CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC1 1506422263 QUXHBRVTFKHYRY-UHFFFAOYSA-N 381.476 2.763 10 50 GFCA CCN1C(=O)C(=Cc2cccn2-c2ccc(OC)cc2)C(=O)N(CC)C1=S 1139842 IGZAESNCJOBZCI-UHFFFAOYSA-N 383.473 2.865 10 50 GFCA COc1ccc(N2CCN(Cc3cccc(OCC(N)=O)c3)CC2(C)C)cc1 72159284 CXJQQVKGTHNYLL-UHFFFAOYSA-N 383.492 2.660 10 50 GFCA COc1ccc(/C=C2/C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)cc1OC 15659880 SGJCOXXRHWAQNO-GHXNOFRVSA-N 376.771 2.958 10 50 GFCA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 1123379 IETVFQGXJJQGAT-YBEGLDIGSA-N 379.372 2.863 10 50 GFCA CN1CCN(c2ccc(CNC(=O)c3ccc(CN4CCCC4)cc3)cc2)CC1 67629729 IHJWBPUYZAMASJ-UHFFFAOYSA-N 392.547 2.964 10 50 GFCA COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 170621669 LMJAHGGUYXWLPI-MFKMUULPSA-N 390.358 2.741 10 50 GFCA C[C@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)NC(=O)N(Cc2ccco2)C1=O 16212461 UVLFMZMQJLIRMT-IEMQHYRPSA-N 383.379 2.722 10 50 GFCA O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])s1 4815031 AYWISJSZQITMBR-XFFZJAGNSA-N 377.765 2.976 10 50 GFCA OCC1CCN(c2ncc3c(n2)CCC[C@@H]3NCc2ccc3c(c2)CCO3)CC1 11813336 RXXYAPKBZXPALY-FQEVSTJZSA-N 394.519 2.787 10 50 GFCA COc1cccc(/C=C2\SC(=S)N(CC(=O)Nc3nccs3)C2=O)c1 13575229 XZNQMDPBZHOJNQ-WQLSENKSSA-N 391.499 2.992 10 50 GFCA CCN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)NC1=S 1135695 GLCLOBFGCUYLJI-VZUCSPMQSA-N 378.251 2.577 10 50 GFCA CC(C)N1C(=O)N(C)C2(CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)C1=O 14742512 CGROEANXMOFJHA-VOTSOKGWSA-N 384.524 2.903 10 50 GFCA CC(C)N1CCN(c2cccc(NC(=O)c3cccc4nnn(C)c34)c2)CC1 2325743599 HQDILTSDNVDXLN-UHFFFAOYSA-N 378.480 2.751 10 50 GFCA O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc(C(=O)O)nc1 730970724 CCZGNLWQNACJQE-UHFFFAOYSA-N 391.374 2.780 10 50 GFCA CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N(C)C)cc1 100257880 OCPLRNVMPPRMSM-QGOAFFKASA-N 384.461 2.655 10 50 GFCA COc1cc(/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)ccc1O 4991018 UGSGUHGOIFAUEM-OQLLNIDSSA-N 380.400 2.992 10 50 GFCA CCOc1cccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c1O 38145417 HHZNTKHCALSYGC-OAQYLSRUSA-N 384.520 2.902 10 50 GFCA COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c1 170621668 LMJAHGGUYXWLPI-GWCFXTLKSA-N 390.358 2.741 10 50 GFCA COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)ccc1OCC(N)=O 13914475 CENXDVDDLSPPNZ-YVLHZVERSA-N 379.416 2.674 10 50 GFCA CCc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)C(=O)NC2=S)cc1 1202672 SGGCFXNEDRQSAP-XNTDXEJSSA-N 382.441 2.795 10 50 GFCA C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 72437632 QGJLOXSHWHGPNW-AEFFLSMTSA-N 393.553 2.526 10 50 GFCA O=C1/C(=C\NC[C@H]2CCCO2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 100478133 PNBABHZPEIJSRF-GXYBQNOFSA-N 392.415 2.998 10 50 GFCA CN1C(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)N(C)C1=O 4704647 RZFBKLDJSRWSKC-UHFFFAOYSA-N 388.763 2.732 10 50 GFCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1 1104059 FDSQFDPMHRWBDU-QGOAFFKASA-N 395.484 2.983 10 50 GFCA CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 2082945813 KXQYOAHRLLTABR-ZDUSSCGKSA-N 388.276 2.694 10 50 GFCA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(N3CCCC3)cc2)C1 106230273 UEIAFMADZVNETO-SJLPKXTDSA-N 393.553 2.526 10 50 GFCA COc1cccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)c1 5606776 ZUFVGUDHQKRXLT-VCHYOVAHSA-N 388.383 2.547 10 50 GFCA CC(=O)c1cc(C)n(-c2ccc(C(=O)N3CCC[C@@](O)(CO)CC3)cc2)c1C 72125624 VQDUTZZICXMXPP-QFIPXVFZSA-N 384.476 2.646 10 50 GFCA COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1OCc1ccccc1Cl 2775425 ODAAVUONNJCGRA-UHFFFAOYSA-N 386.791 2.677 10 50 GFCA O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cnn(-c2ccccc2)c1 1179920 ZBTHOIVUBRLFPS-LICLKQGHSA-N 376.347 2.678 10 50 GFCA O=C(NN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)c1ccccc1 1216412 PQUIDCAYJPDEIV-DHDCSXOGSA-N 384.438 2.962 10 50 GFCA O=C(Nc1ccc(O)cc1C(=O)O)c1cccc(I)c1 4870331 FMUKMKSGGOKAGC-UHFFFAOYSA-N 383.141 2.947 10 50 GFCA COc1ccc(N2CCN([C@@H]3CCCN(C(=O)CC(F)(F)F)C3)CC2)cc1 55255868 GJNVIAMEDOJQTL-MRXNPFEDSA-N 385.430 2.761 10 50 GFCA COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1 1195138 KWUCFKXODXVEKB-MHWRWJLKSA-N 382.441 2.844 10 50 GFCA COc1ccc(N2CCN(S(=O)(=O)c3ccc(SC)cc3)CC2)cc1 2875184 HESDKKIBOIIDDI-UHFFFAOYSA-N 378.519 2.928 10 50 GFCA CN1C(=O)/C(=C/c2cc(Br)cc([N+](=O)[O-])c2O)SC1=S 22130567 SFOPHNDQFAXJER-BAQGIRSFSA-N 375.225 2.894 10 50 GFCA COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCCc1ccccc1 1129221 YXNAYZLWHVMQDX-UHFFFAOYSA-N 394.427 2.751 10 50 GFCA Cc1ccc(C)c(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1 5102465 PGUPKMDIDHKFFR-UHFFFAOYSA-N 396.468 2.676 10 50 GFCA CCc1cc(C)cc(OCCOc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)c1 2947785 NTTJYZMLLIJBSR-UHFFFAOYSA-N 394.427 2.765 10 50 GFCA O=[N+]([O-])c1ccc(N=Nc2ccc(N(CCO)CCO)cc2)c([N+](=O)[O-])c1 254824885 SHWMLKYICHRJFM-UHFFFAOYSA-N 375.341 2.709 10 50 GFCA COc1cccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3O)C2=O)c1 16667793 GFVXCWXGMJMCJZ-GDNBJRDFSA-N 386.454 2.947 10 50 GFCA COc1ccc(N2CCN(c3c(NCCC4=CCCCC4)c(=O)c3=O)CC2)cc1 218276736 PTOMOWZDGNSUHQ-UHFFFAOYSA-N 395.503 2.920 10 50 GFCA COc1ccc(N2CCN(C(=O)NCc3nc(C)c4ccccc4n3)CC2)cc1 170618848 KDGMBCUEVPVMHM-UHFFFAOYSA-N 391.475 2.979 10 50 GFCA NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3csc(C4CC4)n3)cc2)C1 747375202 JOIZIUOMZTULOG-HNNXBMFYSA-N 384.505 2.652 10 50 GFCA COc1cccc(CN2CCC(C(=O)N(CCO)Cc3ccccc3)CC2)c1O 795490 IPKPYIDPQWITHA-UHFFFAOYSA-N 398.503 2.634 10 50 GFCA Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 1172838 XHNNPVFZCIQPCG-UHFFFAOYSA-N 398.444 2.601 10 50 GFCA CCN1/C(=C2/SC(=S)N(CC(=O)O)C2=O)C=Cc2cc(OC)ccc21 101728310 QIPRHNDVFDBVKK-FYWRMAATSA-N 376.459 2.705 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cccc(N4CCNC4=O)c3)[C@@H](C)C2)cc1 72411332 FUCQQZVXUBFSTE-INIZCTEOSA-N 394.475 2.576 10 50 GFCA C[C@@H]1CCCN(c2ccc(CNC(=O)c3cccc(-n4cnnc4)n3)cc2)C1 97823328 YWJKCOWKKPYYRX-MRXNPFEDSA-N 376.464 2.829 10 50 GFCA CCOC(=O)c1oc2c(O)c(O)ccc2c(=O)c1-c1nncn1-c1ccccc1 4058579 WSZANQHECRGKGG-UHFFFAOYSA-N 393.355 2.629 10 50 GFCA Cc1cc(C)cc(N2C(=O)/C(=C\Nc3ccc(C(=O)O)cc3)C(=O)NC2=S)c1 20234699 WYOJKIJTZAZRDS-YBEGLDIGSA-N 395.440 2.745 10 50 GFCA CN(C)c1ccc(/C=C2\C(=N)N3N=CSC3=NC2=O)cc1Br 4643083 YGCLLXXTTDQDHE-VDJZTNOESA-N 378.255 2.764 10 50 GFCA O=C1N=C(O)/C(=C\c2cccc(OCCOc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1 2987371 IOVUSGFJLLCQLG-UHFFFAOYSA-N 397.343 2.642 10 50 GFCA CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1F 1062131 FNOHCSBYMHZNEN-UHFFFAOYSA-N 384.363 2.553 10 50 GFCA O=C1/C(=C/C=C/c2ccco2)SC(=S)N1NS(=O)(=O)c1ccccc1 13119719 YIUMXULORVBWLL-SPGDJUBISA-N 392.483 2.931 10 50 GFCA CN1CCN(c2ccc(CN3C[C@H](N)[C@H](c4ccc(F)cc4)C3)cc2F)CC1 230192354 WRTTYIGJNLLQHI-FPOVZHCZSA-N 386.490 2.643 10 50 GFCA CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 844401 CJPBYHHEZBERDI-PKOBYXMFSA-N 387.480 2.883 10 50 GFCA CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N(C)C1=O 1034722 CWMZIEDMBVKIRS-UHFFFAOYSA-N 386.411 2.973 10 50 GFCA COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc(OC)c1O 5197872 UOBNJNOKYLCAKM-OVCLIPMQSA-N 382.372 2.914 10 50 GFCA O=C1OC(c2ccccc2)=N/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5024182 KHUQUKJZBSAXTE-FOWTUZBSSA-N 379.372 2.776 10 50 GFCA Cc1cc(-c2nnc(CCC(=O)NCc3ccc4c(c3)CCCN4C)o2)no1 12303505 UJQLVIVNQCUBBR-UHFFFAOYSA-N 381.436 2.664 10 50 GFCA COc1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc(OC)c1OC 1210832 QLCIOGTYGQXGSC-UKTHLTGXSA-N 397.474 2.778 10 50 GFCA COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1Cl 2902543 JSCUOYXQXGJGJZ-UHFFFAOYSA-N 386.791 2.677 10 50 GFCA COc1ccc(N2CC3(CN(C(=O)[C@H]4COc5c(cccc5OC)C4)C3)C2)cc1 2100557246 PRCPVOKNHKAOKV-QGZVFWFLSA-N 394.471 2.604 10 50 GFCA COc1ccc(O)c([C@@H](C)NC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1 253420230 VCHBANFMGOCAKW-BDJLRTHQSA-N 382.432 2.783 10 50 GFCA Cc1noc(C)c1-c1[nH]nc2c1CN(c1nc(N(C)C)nc3c1CCCC3)CC2 23215168 TYAPHZCXHIRZFY-UHFFFAOYSA-N 393.495 2.979 10 50 GFCA Cc1ccccc1OCCn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21 2954981 CWMDOQDVMIZCHU-UHFFFAOYSA-N 389.411 2.778 10 50 GFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3[N+](=O)[O-])C2=O)cc1 9171387 UYGCSSKXIWIPFY-RVDMUPIBSA-N 381.344 2.660 10 50 GFCA O=C(O)COc1ccc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1 1166059 NHJJPTIZOGQJTO-NVNXTCNLSA-N 386.454 2.946 10 50 GFCA CCOc1c(OC)c(OC)cc2c1C(=O)c1cc(OC)c(OC)c(O)c1C2=O 205363973 SURATBXJTIWMAX-UHFFFAOYSA-N 388.372 2.601 10 50 GFCA CCOC(=O)c1c(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCC2 239310467 ILQPMYBYEUONKS-DUBDDPSESA-N 375.446 2.875 10 50 GFCA COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(OC)c1O 4959739 XNXNCQUHUSQZOL-YBEGLDIGSA-N 380.400 2.669 10 50 GFCA COc1ccc(/C=C2/SC(=S)NC2=O)cc1I 1031760 MHBVEBIDAVIUGP-WEVVVXLNSA-N 377.228 2.789 10 50 GFCA COc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)ccc1OCC(=O)O 13801336 GMGNNHQEQGGMKB-ZROIWOOFSA-N 396.355 2.665 10 50 GFCA O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(N2CCCC2=O)cc1 54285402 BZAANKOAQNVNMB-UHFFFAOYSA-N 379.460 2.580 10 50 GFCA COc1ccc(N2CCN(CC(=O)NCCc3ccc(Cl)cc3)CC2)cc1 55060334 AEFYRPAZLQRTOL-UHFFFAOYSA-N 387.911 2.830 10 50 GFCA COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1O 1248440 VDFKAYNLSBBGOT-XNTDXEJSSA-N 386.454 2.947 10 50 GFCA COc1ccc(-c2cc3ccc(O)c(CN4CCN(C)CC4)c3oc2=O)cc1 20419107 AWMGLWZEGYOMRA-UHFFFAOYSA-N 380.444 2.922 10 50 GFCA biogenic Cc1cc(C[C@@H]2CN(C3CCN(c4ccc5c(c4)CCC5)CC3)C[C@@H]2O)n[nH]1 1529113619 GXEQQNJEAAWYIK-XXBNENTESA-N 380.536 2.711 10 50 GFCA CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(N3CCOCC3)c(F)c2)cn1 328651470 VXWXZCVVSAHMBP-PZJWPPBQSA-N 388.487 2.889 10 50 GFCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4cccc(O)c4)C3)CC2)cc1 72167347 OFDTXKZSPXJPKY-FQEVSTJZSA-N 395.503 2.828 10 50 GFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 19117592 ZZJVXFBBYFBCOO-LCYFTJDESA-N 385.763 2.617 10 50 GFCA Cc1c(-n2ccnc2-c2ccc(N(C)CCO)cc2)c(N2CCCC2)nn1C 1857683023 PKSYCLPZADERFI-UHFFFAOYSA-N 380.496 2.610 10 50 GFCA CNC(=O)c1ccc([C@@H]2CCCCN2Cc2ccc(N3CCOCC3)cc2)n1C 328625130 CTSBIFLUIUCQSZ-NRFANRHFSA-N 396.535 2.949 10 50 GFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(OCC)c3)C2=O)cc1 1083636 PDWBPWDLNJUSIG-LFIBNONCSA-N 396.399 2.856 10 50 GFCA O=C1N=C(O)/C(=C\c2ccccc2OCCOc2ccc([N+](=O)[O-])cc2)C(=O)N1 3001844 BHFAJVAGGJLGJJ-UHFFFAOYSA-N 397.343 2.642 10 50 GFCA C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCCCC2)cc1 65365223 SKSYKJAIWJXWFG-INIZCTEOSA-N 393.553 2.526 10 50 GFCA CSc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13674036 IZIIBKABQCRNDP-UHFFFAOYSA-N 378.519 2.724 10 50 GFCA Cc1ccc(/C=C2\SC(=S)N(CCC(=O)OCCN(C)C)C2=O)cc1 2372052 JVQMGRFULLEKQR-QINSGFPZSA-N 378.519 2.691 10 50 GFCA COc1ccc(N2C(=O)NC(=O)/C(=C\c3cnn(-c4ccccc4)c3)C2=O)cc1 1180900 UCIZKCAUARDUME-WOJGMQOQSA-N 388.383 2.547 10 50 GFCA CCOc1cccc(CN2CCN(Cc3ccccc3F)[C@H](CCO)C2)c1O 39542029 MUXURHGFMARMBN-LJQANCHMSA-N 388.483 2.999 10 50 GFCA CCc1cc(C)cc(OCCOc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1 2945963 CWWZUNKWHYRVRG-UHFFFAOYSA-N 394.427 2.765 10 50 GFCA O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 1172162 VLSNSZYBEYXJEH-UHFFFAOYSA-N 390.823 2.972 10 50 GFCA CCOc1cccc(CN2CCN(Cc3cccs3)[C@H](CCO)C2)c1O 39388260 IPQKBOPXQQPDEG-QGZVFWFLSA-N 376.522 2.921 10 50 GFCA COc1ccc(N2CCN(C(=O)c3ccc(Cn4cccn4)o3)[C@@H](C)C2)cc1 72479140 FHWAFIGGRKYMIQ-INIZCTEOSA-N 380.448 2.884 10 50 GFCA COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O 759161 OBACNVJMQQXDMU-NTUHNPAUSA-N 388.832 2.886 10 50 GFCA COc1ccc(N2CCC(N3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4=O)CC2)cc1 95359630 NOORGNGTRIOPJI-GHTZIAJQSA-N 383.536 2.997 10 50 GFCA CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)sc2c1CCC2 100546641 ILQPMYBYEUONKS-ZNIXKSQXSA-N 375.446 2.875 10 50 GFCA COc1ccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)C(=O)NC2=S)cc1 4739011 OFJMKLURDNDNST-WJDWOHSUSA-N 398.440 2.544 10 50 GFCA COc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)c(O)c1 23145726 YIALBQZDFDJXAA-KRWDZBQOSA-N 392.446 2.748 10 50 GFCA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@H]2CCCO2)cc1 844398 CJPBYHHEZBERDI-MJGOQNOKSA-N 387.480 2.883 10 50 GFCA COc1ccc(N2CCN(C(=O)Nc3ccc(C(N)=O)c(C)c3)CC2)cc1F 123485112 HKTRVIKGCXEZGE-UHFFFAOYSA-N 386.427 2.596 10 50 GFCA COc1ccc(N2CCC(N3C[C@H]4[C@@H](CN(C)C)[C@@H]5CC[C@@]4(C3)O5)CC2)cc1 2356136475 WKADCBNTFVOWLS-LDVJMBRRSA-N 385.552 2.705 10 50 GFCA COc1ccc(Br)cc1/C=C1\SC(N2CCOCC2)=NC1=O 15745823 QUTIBMWVDYGJEF-LCYFTJDESA-N 383.267 2.760 10 50 GFCA O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1I 16667385 UCQUBGVBOOAAJW-RAXLEYEMSA-N 390.180 2.753 10 50 GFCA CN1C(=O)/C(=C2\SC(N3CCCCCC3)=NC2=O)c2cc([N+](=O)[O-])ccc21 5059699 AIIYUXMPPOUYDM-PFONDFGASA-N 386.433 2.788 10 50 GFCA CCN(CC)c1ccc(/C=C2/C(=O)NC(=S)N(Cc3ccco3)C2=O)cc1 16266242 UEPYQMMJABTPGU-ATVHPVEESA-N 383.473 2.953 10 50 GFCA CC(C)CCCN/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O 19595268 ZOTMDUYVSYCXFB-UVTDQMKNSA-N 394.269 2.942 10 50 GFCA CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 757939 POKHSPWXFTXFRM-QGOAFFKASA-N 379.416 2.818 10 50 GFCA CCCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2302348 CKAGRKOENBNQJD-QQFZQELXSA-N 397.543 2.864 10 50 GFCA O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2c(F)cccc2Cl)cc1 1172020 GNYUPVPRWGZRBM-UHFFFAOYSA-N 390.823 2.972 10 50 GFCA CN(C)c1cccc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 2892885 BDLBOSDABDWVNK-WJDWOHSUSA-N 384.823 2.985 10 50 GFCA COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CCN2[C@@H]1[C@@H]6[C@H]5C[C@H]43 247922732 CUSPGBAYZUUDOF-SYDPMERFSA-N 380.488 2.583 10 50 GFCA O=C1NC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)N1 2829825 UQMDUEMGMULDMT-UHFFFAOYSA-N 392.802 2.942 10 50 GFCA O=C(NCc1ccc(O)cc1O)[C@@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1 91664949 IWQQYZURUVABKP-OAHLLOKOSA-N 388.851 2.806 10 50 GFCA COc1ccc(N2CCN([C@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 18122448 NKQVAHTVKUKXJB-IBGZPJMESA-N 399.878 2.803 10 50 GFCA COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 65277706 UHCLDYDPNMSVKH-OAHLLOKOSA-N 376.478 2.571 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cnc(-c4ccccn4)nc3)[C@H](C)C2)cc1 72431090 NMGQRNYJKNRFFF-MRXNPFEDSA-N 389.459 2.898 10 50 GFCA CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC[C@@H]2CCCO2)cc1 844400 CJPBYHHEZBERDI-HKUYNNGSSA-N 387.480 2.883 10 50 GFCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 4845982 POVVSUYVJYKDHW-GDNBJRDFSA-N 395.371 2.832 10 50 GFCA CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(Cl)cc1Cl 2082931199 AWEUTCNEMZHQHN-NSHDSACASA-N 388.276 2.694 10 50 GFCA O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1nnc(-c2ccccc2)s1 100640579 VRINWRFAKFROOV-KAMYIIQDSA-N 391.412 2.784 10 50 GFCA COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C)C(=S)N32)c1O 22018320 HPDXAFVSOGZKPN-YJBOKZPZSA-N 393.468 2.955 10 50 GFCA COc1cccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)c1O 13108083 BCYOBRRMFNGTQC-LCYFTJDESA-N 389.205 2.625 10 50 GFCA Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 4163938 SBOCOXNHJQIJPO-FQEVSTJZSA-N 386.517 2.891 10 50 GFCA COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc4[nH]ccc34)CC2)cc1 121931750 XNDHBYISBYHUGX-UHFFFAOYSA-N 392.459 2.854 10 50 GFCA COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 1176143 WZAZEHVLGZXNHP-GZTJUZNOSA-N 378.384 2.756 10 50 GFCA c1cc(N2CCOCC2)ccc1CNc1nncc(-c2ccc3c(c2)OCO3)n1 11668064 CFPDTUGOQYAGLI-UHFFFAOYSA-N 391.431 2.716 10 50 GFCA COc1ccc(N2CCN(CCC(=O)Nc3nnc(C4CC4)s3)CC2)cc1 13323211 DBJDQOUUNKIRIJ-UHFFFAOYSA-N 387.509 2.575 10 50 GFCA CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 10112137 RLYDMNNLXKCWLE-UHFFFAOYSA-N 387.505 2.978 10 50 GFCA Cc1noc(CNC(=O)NC[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)n1 363459243 IYBZKBAMBZBXEV-LBPRGKRZSA-N 399.373 2.602 10 50 GFCA COc1ccc(CNC[C@@H]2CC(=O)N(C3CCCC3)C2)cc1Cn1cccn1 952977507 ILKREAZEZVBHJG-SFHVURJKSA-N 382.508 2.821 10 50 GFCA Cc1nn(C)c(C)c1CN1CCN(C2=NC(=O)/C(=C/c3ccccc3)S2)CC1 20606677 YWGUYTZRTFCJEN-UYRXBGFRSA-N 395.532 2.825 10 50 GFCA COc1ccc(OC)c(N/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 7367515 IJISOWVMIMETKV-KAMYIIQDSA-N 381.388 2.591 10 50 GFCA Cc1c(/C=C2\SC(N3CCN(Cc4ccc(F)cc4)CC3)=NC2=O)cnn1C 20607149 GTEQQLBXWGXUCQ-WQRHYEAKSA-N 399.495 2.656 10 50 GFCA N[C@H]1CCC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 238017515 FGDNKNOCGFMXBW-HIFRSBDPSA-N 385.430 2.676 10 50 GFCA O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2ccccc2F)c(Cl)c1 1177043 UPBPEQPEIIJIAV-UHFFFAOYSA-N 390.823 2.972 10 50 GFCA COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 15722622 RHKZSGKUQXZSPR-JYRVWZFOSA-N 383.316 2.816 10 50 GFCA Cc1ccc(C(=O)NN2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 1200595 ZJIYUWFBKYALME-PFONDFGASA-N 395.465 2.864 10 50 GFCA C[C@@H](NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(N2CCCCC2)cc1 72437630 QGJLOXSHWHGPNW-SJLPKXTDSA-N 393.553 2.526 10 50 GFCA COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C(=O)O 2957965 DFAYYATWTQTYMT-MHWRWJLKSA-N 394.383 2.677 10 50 GFCA CCOc1cccc(CN2CCN(Cc3cccc(C)n3)[C@@H](CCO)C2)c1O 20118491 XUDDVNUVYXAABR-FQEVSTJZSA-N 385.508 2.563 10 50 GFCA CN(C)CCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S 2239754 JBQPNBJHWUEOEE-SQFISAMPSA-N 378.519 2.773 10 50 GFCA Cc1cc2nc3s/c(=C\c4ccc(N5CCOCC5)cc4)c(=O)n3c2cc1C 4351034 PRUCMIUZOHUCRT-MOSHPQCFSA-N 391.496 2.910 10 50 GFCA O=S(=O)(c1cccc2nsnc12)N1CCN(c2ccccc2Cl)CC1 4757479 BQDFPVZCTCEVGE-UHFFFAOYSA-N 394.909 2.856 10 50 GFCA C[C@H]1CC[C@@](C(N)=O)(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)C1 101172632 DMABCDOEBFJPEP-NYHFZMIOSA-N 377.444 2.889 10 50 GFCA CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 2082945812 KXQYOAHRLLTABR-CYBMUJFWSA-N 388.276 2.694 10 50 GFCA CCOc1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1F 4412561 QNEGPHNEPXDSLH-UHFFFAOYSA-N 394.468 2.744 10 50 GFCA COc1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3=O)CC2)cc1 100802544 NKQVAHTVKUKXJB-LJQANCHMSA-N 399.878 2.803 10 50 GFCA CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)N(C)C)cc1 6169178 GLJURYRWEQCABW-UYRXBGFRSA-N 398.488 2.964 10 50 GFCA O=C(O)CN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S 2119609 DHSMBGJDULABKJ-RUDMXATFSA-N 376.228 2.874 10 50 GFCA CN1C(=O)C(=Cc2ccc(OCCOc3ccccc3)cc2)C(=O)N(C)C1=O 2997342 LHVCNQOHSUBUNF-UHFFFAOYSA-N 380.400 2.578 10 50 GFCA Cn1ccnc1[C@H](O)C1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC1 1506405193 IVUJOVHNCJXTCJ-OAQYLSRUSA-N 398.507 2.563 10 50 GFCA Cc1ccccc1N1C(=O)/C(=C\Nc2ccc(N(C)C)cc2)C(=O)NC1=S 5593441 RPJVADPKUANGNR-VBKFSLOCSA-N 380.473 2.805 10 50 GFCA NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccn(C4CCCC4)n3)cc2)C1 763279548 CYKYPOWQMPMMGO-QGZVFWFLSA-N 395.507 2.630 10 50 GFCA COc1ccc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1 1049474 GVPWRHSLVZZGMQ-UHFFFAOYSA-N 376.478 2.523 10 50 GFCA CN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 5061768 DJAOXXQVVYZNOO-XFFZJAGNSA-N 375.724 2.600 10 50 GFCA Cc1nn(C)cc1/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O 2807812 MMAUACRKCVCFGA-UWZYDCLUSA-N 387.486 2.626 10 50 GFCA COc1cc(OC)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1 15659269 HZMLTXQOYUIQMT-WJDWOHSUSA-N 396.399 2.687 10 50 GFCA COc1ccc(O)c([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C)C(=S)N32)c1 754556 ARZGLUBUNHECAH-VQIMIIECSA-N 393.468 2.955 10 50 GFCA Cc1cc(C(=O)N2C[C@H]3CCN(C)C[C@@]3(C(=O)O)C2)c(C)n1-c1ccccc1 1565514807 SEAKENSPPZYGIM-VGOFRKELSA-N 381.476 2.573 10 50 GFCA CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 13424407 NQCZIZJQKVBPSM-GXDHUFHOSA-N 397.387 2.521 10 50 GFCA CCOc1ccc(N2C(=O)NC(=O)C(=Cc3nc4ccccc4[nH]3)C2=O)cc1 2049413664 IZXBMLJGEGOZLQ-UHFFFAOYSA-N 376.372 2.628 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cc(-n4cnnc4)ccc3Cl)CC2)cc1 4459213 KVVPZUVNGWCWLW-UHFFFAOYSA-N 397.866 2.892 10 50 GFCA Cc1nc(C)n(-c2ccc(C(=O)Nc3cccc(N4CCOCC4)c3)cc2)n1 225423774 FPOQEDRREZGZNQ-UHFFFAOYSA-N 377.448 2.973 10 50 GFCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)CSC(C)C)C3)CC2)cc1 72150553 WXUUFJAKBOKDPR-IBGZPJMESA-N 391.581 2.950 10 50 GFCA O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCOCC1 1217983 RUGHZALAGAKYHY-QBFSEMIESA-N 382.532 2.588 10 50 GFCA COc1ccc(N2CCC(N3C[C@@H]4CC[C@H](C3)C(=O)N4CC3CC3)CC2)cc1 1565509033 NOORGNGTRIOPJI-NQIIRXRSSA-N 383.536 2.997 10 50 GFCA CCCOc1ccccc1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 4994480 HTQJRKXFLJRZSI-QQFZQELXSA-N 397.543 2.864 10 50 GFCA COC(=O)c1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 8205783 BGMYOJANIHAVPB-GXDHUFHOSA-N 399.790 2.705 10 50 GFCA CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(O)c(OCC)c1 13400070 RNTFBWOVUQHSIK-PTNGSMBKSA-N 375.421 2.500 10 50 GFCA CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(=O)OC)cc3)C2=O)cc1 4845653 JQBSNYJTHDPQBK-ATVHPVEESA-N 378.384 2.702 10 50 GFCA COc1ccc(N2CCN(C(=O)c3cccc(N4CCNC4=O)c3)[C@H](C)C2)cc1 72411331 FUCQQZVXUBFSTE-MRXNPFEDSA-N 394.475 2.576 10 50 GFCA COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc(OC)c1OC 12504557 QLCIOGTYGQXGSC-LCYFTJDESA-N 397.474 2.778 10 50 GFCA c1cnc(OC2CCN(C3CCN(c4ccc5c(c4)OCO5)CC3)CC2)nc1 1506397059 YDOQVMKGUKOKNH-UHFFFAOYSA-N 382.464 2.718 10 50 GFCA Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O[C@H](C)C(=O)O)cc3)C2=O)c1 2299723 NISXBIXFMSVWGO-VVBXCHJUSA-N 394.383 2.513 10 50 GFCA CCOC(=O)c1c(NC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)sc2c1CCC2 239310468 ILQPMYBYEUONKS-TXFQPVFDSA-N 375.446 2.875 10 50 GFCA CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 39421476 LAHYQHYKTJEFAC-HXUWFJFHSA-N 387.505 2.613 10 50 GFCA COc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccncc4)C3)CC2)cc1 64131820 GOLCTOJIIGFHHV-FQEVSTJZSA-N 380.492 2.517 10 50 GFCA COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1OC 15659334 FJNUNQIPYBJWDD-PTNGSMBKSA-N 382.441 2.844 10 50 GFCA O=S(=O)(c1cccc2nsnc12)N1CCN(c2cccc(Cl)c2)CC1 1147863 DTFUBIGDTCLQLB-UHFFFAOYSA-N 394.909 2.856 10 50 GFCA COc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1Cl 10113412 ONGQUQDGVXSBEC-UHFFFAOYSA-N 396.896 2.664 10 50 GFCA COc1ccc(N2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)cc1 23281446 DBKAPJRMSSPVHM-UHFFFAOYSA-N 392.503 2.815 10 50 GFCA O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 1197989 LOTNDRFNWSEHND-AWNIVKPZSA-N 386.816 2.900 10 50 GFCA COc1cccc(CN2CCC3(CC[C@H](CNC(=O)C(C)C)O3)CC2)c1O 11783922 HCVKYWHPGLWNHL-QGZVFWFLSA-N 376.497 2.687 10 50 GFCA Cc1cc(N2CCOCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2)C1=O 12513848 DLZKKYVZRBNMCA-ZHZULCJRSA-N 377.444 2.925 10 50 GFCA CCOc1ccc(N2CCN(CCNC(=S)NCc3ccccc3)CC2)cc1 5063198 UOFPZILHKRYETB-UHFFFAOYSA-N 398.576 2.872 10 50 GFCA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/C=C/c3ccccc3)C2=O)c1 6181662 PMJKBRXAQFHMEL-RKQKHZQPSA-N 378.384 2.926 10 50 GFCA Cc1c(CCNC(=O)c2nn(C)c3c2CC(=O)CC3)c2cccc3c2n1CCC3 670455665 FQSFWWJCNVPRIE-UHFFFAOYSA-N 390.487 2.660 10 50 GFCA O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 1221249 KENRGDZIUHQRGE-GDNBJRDFSA-N 398.465 2.860 10 50 GFCA COc1ccc(N2CCN(C[C@@H](O)COc3ccc4c(c3)CCC4)CC2)cc1 4819381 HMDPMSSIPLNPBJ-OAQYLSRUSA-N 382.504 2.746 10 50 GFCA CCCCc1ccc(NC=C2C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)cc1 2082930509 VXAKFQXHRIWWKO-KRWDZBQOSA-N 375.494 2.730 10 50 GFCA O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\Nc1ccc2c(c1)OCO2 16662476 YNWGGUYKHWMPHM-FLIBITNWSA-N 385.763 2.648 10 50 GFCA COc1ccc([C@@H]2CC(c3ccc(O)c(OC)c3)=NN2S(C)(=O)=O)cc1 252478654 ARHPFEXUKWAPSP-INIZCTEOSA-N 376.434 2.520 10 50 GFCA O=C1NC(=S)NC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccs1 1188489 LUSHHHCADCCUGE-UHFFFAOYSA-N 380.454 2.515 10 50 GFCA CCOC(=O)c1ccc2c(c1)nc(-c1ccc(N3CCNC(=O)C3)cc1)n2CC 170643359 JTULYNVIZQEHHO-UHFFFAOYSA-N 392.459 2.836 10 50 GFCA O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCC2)o1 875990 PIDPOJBPHCZFAY-ACCUITESSA-N 385.420 2.850 10 50 GFCA CSc1nnc(CN(C)Cc2ccc(N(C)C)cc2)n1C[C@@H]1CCCO1 14997474 QNNYMHBUMDZLAH-KRWDZBQOSA-N 375.542 2.877 10 50 GFCA Oc1nc(CCNC2CCN(c3ccc4c(c3)OCO4)CC2)nc2ccccc12 1506417642 ODZUAWSOBGWMLX-UHFFFAOYSA-N 392.459 2.865 10 50 GFCA COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O 1200336 OYCGQTWXNBSRKM-MDWZMJQESA-N 389.205 2.625 10 50 GFCA COc1ccc(CN[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1Cn1cccn1 952964149 MRUYIAQINOLQFF-LJQANCHMSA-N 394.475 2.927 10 50 GFCA O=C(O)CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccco3)c2)SC1=S 2904626 XASBEHKDPVRWHX-MDWZMJQESA-N 389.410 2.785 10 50 GFCA CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 39421475 LAHYQHYKTJEFAC-FQEVSTJZSA-N 387.505 2.613 10 50 GFCA Cc1ccc([C@@H]2CN(C(=O)c3cccc(O)c3O)C[C@H]2NC(=O)C2CC2)cc1 77340131 XQVJANXJWPNTLO-ZWKOTPCHSA-N 380.444 2.541 10 50 GFCA CN1C(=O)C(=Cc2cccn2-c2ccc(OC(F)(F)F)cc2)C(=O)N(C)C1=O 1394821 ADDLDPUXFCWIJP-UHFFFAOYSA-N 393.321 2.810 10 50 GFCA COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)c1 19794772 VQWOIUNRBXMAHI-DHDCSXOGSA-N 391.383 2.852 10 50 GFCA Cc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc3nsnc3c2)C1=O 22589831 AUQMCFUBYUBWMW-XFXZXTDPSA-N 379.401 2.579 10 50 GFCA O=C1[C@@H]2CC[C@@H](CN(C3CCN(c4ccc5c(c4)OCO5)CC3)C2)N1CC1CC1 1565513615 PCRJNRXVAXFWAH-XLIONFOSSA-N 397.519 2.717 10 50 GFCA COC(=O)C1=CN(c2ccc(NC(C)=O)cc2)c2cc(F)ccc2S1(=O)=O 263615423 CHUFXRSYGYXNQN-UHFFFAOYSA-N 390.392 2.724 10 50 GFCA COc1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)C(=O)NC2=S)c1 1182050 SDNKYTWLFIMIGR-CXUHLZMHSA-N 398.440 2.544 10 50 GFCA O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])s1 5091999 FYHCSJAPGVFZEF-XFFZJAGNSA-N 377.378 2.627 10 50 GFCA CCOc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(N(C)C)cc2)C1=O 5103239 OEOOGFGTJPXQHT-SSZFMOIBSA-N 379.416 2.818 10 50 GFCA CCOCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(CC)CC)cc1 4409533 PPPIDSOAGZILLD-SFHVURJKSA-N 391.537 2.905 10 50 GFCA COc1cc(/C=C2/SC(Nc3ccccc3)=NC2=O)ccc1OCC(N)=O 223071533 BUAABAOBTGXSLC-MHWRWJLKSA-N 383.429 2.642 10 50 GFCA Cc1cnccc1N1CCN(C2CCN(c3ccc4c(c3)OCO4)CC2)CC1 1506403141 RTPYZUXXSZVIQG-UHFFFAOYSA-N 380.492 2.910 10 50 GFCA COc1cc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc(OC)c1O 1800917 NBMMKPSIDCKDHT-FFXRNRBCSA-N 397.474 2.720 10 50 GFCA O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(O)cc1 1203309 VCDHOSDZMRLABJ-RIYZIHGNSA-N 387.189 2.821 10 50 GFCA CN1C(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N(C)C1=O 3109045 WKASQMYZMXBNLY-UHFFFAOYSA-N 389.751 2.942 10 50 GFCA COc1ccc(CN2CCCC2)c([C@@H](C(=O)O)N2Cc3ccccc3C2=O)c1O 2356139835 ZZCOANRVKMGASW-IBGZPJMESA-N 396.443 2.778 10 50 GFCA CCc1ccc(N2NC(=O)/C(=C/c3c(C)nn(-c4ccccc4)c3O)C2=O)cc1 22215398 ZQLITSLZUQXHOS-UYRXBGFRSA-N 388.427 2.910 10 50 GFCA O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NCCc1ccc(F)cc1 100401312 GXHHFNLDLPVBNI-JXAWBTAJSA-N 385.439 2.811 10 50 GFCA CCC(=O)N[C@@H](c1nnc2n1CCN(Cc1ccc(N(C)C)cc1)CC2)C(C)C 12149641 JWNOTTYOGGJHAY-OAQYLSRUSA-N 398.555 2.626 10 50 GFCA CC(=O)NC1=NC(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)S1 13809777 UNSGQWFLWHHHQO-SXGWCWSVSA-N 383.429 2.899 10 50 GFCA O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/N1CCc2ccccc2C1 1129826 ZVEWBONKDVVSAG-GHRIWEEISA-N 395.846 2.861 10 50 GFCA COc1cccc(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1O 36379414 YKNWZOKVVDBCIJ-OAQYLSRUSA-N 384.520 2.902 10 50 GFCA CC(=O)c1cc(C)n(-c2ccc(C(=O)N3CCC[C@](O)(CO)CC3)cc2)c1C 72125623 VQDUTZZICXMXPP-JOCHJYFZSA-N 384.476 2.646 10 50 GFCA COc1ccc(O[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@H](O)[C@H]2N=[N+]=[N-])cc1 72099097 HCOPARKYIRRSBS-BZIXAJQCSA-N 399.403 2.953 10 50 GFCA in-vitro CCc1ccc(N2NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)cc1 5067746 WMJQRGKGVKCDRP-HKWRFOASSA-N 377.444 2.547 10 50 GFCA CN(C)c1ccc([C@H]2CC(=O)Nc3cc(N4CCCC4)c(C(N)=O)cc32)cc1 65460683 UAMMCRKEXGXAAJ-MRXNPFEDSA-N 378.476 2.926 10 50 GFCA CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)C1 1123333 FXRKQKPHJCPKHB-UHVIJJLKSA-N 387.505 2.998 10 50 GFCA CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)c1 22238491 AFMLJIXFCFOXKE-SFQUDFHCSA-N 394.383 2.538 10 50 GFCA CCN1C(=O)C(=Cc2cccn2-c2ccc(N(C)C)cc2)C(=O)N(CC)C1=S 1149212 TZHLPYFJEAGVGP-UHFFFAOYSA-N 396.516 2.922 10 50 GFCA CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CC(C)C)C1=O 12377930 WZGJRSAKTYMDBE-LCYFTJDESA-N 388.518 2.984 10 50 GFCA CN(C)c1ccc([C@@H]2CC(=O)Nc3cc(N4CCCC4)c(C(N)=O)cc32)cc1 65460681 UAMMCRKEXGXAAJ-INIZCTEOSA-N 378.476 2.926 10 50 GFCA CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)C(=O)NC2=S)cc1 5060854 ZFQVSNMMTDUXNP-XNTDXEJSSA-N 398.440 2.631 10 50 GFCA O=C1NC(=O)C(=Cc2ccc(OCCOc3ccccc3Cl)cc2)C(=O)N1 2977052 MWWSYZXLBLBSRJ-UHFFFAOYSA-N 386.791 2.547 10 50 GFCA CC[C@@H](C)N1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)NC1=S 5931310 OYYBVVMXENNZOZ-COOUDCDJSA-N 398.444 2.811 10 50 GFCA Cc1ccc(-n2cc(/C=C3/C(=O)NC(=O)N(Cc4ccccc4)C3=O)cn2)cc1 16225443 IDRUSDQETACTKA-ODLFYWEKSA-N 386.411 2.843 10 50 GFCA C[C@H](NS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)O 40442561 MSJGMRRFQPODJE-RUWSDDDDSA-N 376.438 2.919 10 50 GFCA