smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cccc([C@H](c2cc3c(cc2O)OCO3)N2CCCC2)c1OC 3053349 ZJOONADJXGMGJZ-LJQANCHMSA-N 357.406 3.323 10 40 FGCB Cc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])c(C)n1-c1ccccc1 409330988 DAHBKKWWTOIMPQ-HJWRWDBZSA-N 352.350 3.374 10 40 FGCB CN(C)c1ccc(CNC(=O)COc2ccccc2Br)cc1 7096657 PIWIUOZTQIWGBX-UHFFFAOYSA-N 363.255 3.210 10 40 FGCB biogenic O=C(O)COc1ccccc1/C=C1\SC(Nc2ccccc2)=NC1=O 33491447 SGIWHJVMGCHTBD-GDNBJRDFSA-N 354.387 3.232 10 40 FGCB CN(C)c1ccc([C@@H]2Nn3c(COc4ccccc4)nnc3S2)cc1 3843184 NGFULNDDWYWNSV-QGZVFWFLSA-N 353.451 3.271 10 40 FGCB biogenic O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1C(=O)c1cccnc1 5580186 YTFZPJZCJYVENB-JYRVWZFOSA-N 371.399 3.031 10 40 FGCB COC(=O)c1cnc2cc(-c3sccc3-n3c(C)ccc3C)nn2c1N 1406927 GRJZTCOXIMEYKC-UHFFFAOYSA-N 367.434 3.234 10 40 FGCB O=C(C[C@H]1SC(=S)NC1=O)Nc1cc(C(F)(F)F)ccc1Cl 34926816 DOKWHASLIRBNKP-MRVPVSSYSA-N 368.789 3.204 10 40 FGCB COc1ccc(N2N=C(C)/C(=C(\C)NCc3ccccc3OC)C2=O)cc1 103916111 UKVQWJUMHFCMCJ-ZHZULCJRSA-N 365.433 3.490 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)c1ccccc1 39995693 WFWXUXCDFNNANO-UHFFFAOYSA-N 352.478 3.459 10 40 FGCB Cc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 224235289 DBXUTDBIGMTQGS-UHFFFAOYSA-N 365.521 3.304 10 40 FGCB Cc1ccc(NC(=O)c2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1 5520568 UJRWRRHIEPSUAU-UHFFFAOYSA-N 372.380 3.311 10 40 FGCB COc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 216482803 SPNQIYHLARJFHF-MRXNPFEDSA-N 354.450 3.379 10 40 FGCB CCSc1ccccc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 217036897 POYSZHTVONLYPB-UHFFFAOYSA-N 369.534 3.480 10 40 FGCB CNC(=O)CSc1ncc(-c2ccc(OC)cc2)n1Cc1ccco1 44086177 PIQDPPFBJXQFGS-UHFFFAOYSA-N 357.435 3.038 10 40 FGCB [N-]=[N+]=CC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 96329107 IWVACDCSYKSLKI-IBGZPJMESA-N 361.401 3.270 10 40 FGCB Cc1cc(C(=O)OCC(=O)N[C@H](C)C2CC2)c(C)n1-c1ccc(F)cc1 49600773 RRPMZTXYZOPQJQ-CYBMUJFWSA-N 358.413 3.305 10 40 FGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1C 225250752 STVKSBSOEMNYNH-UHFFFAOYSA-N 374.506 3.391 10 40 FGCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 5373640 DDUGJAULLCKRIZ-RNQWEJQRSA-N 365.476 3.396 10 40 FGCB CN(C)c1ccc(/C=C2/C(=N)N3N=C(c4ccco4)SC3=NC2=O)cc1 4108450 ONBCVMNCPYZUMI-DDRPPYOZSA-N 365.418 3.013 10 40 FGCB COc1ccc(N2CCN(C(=S)Nc3cccc(OC)c3)CC2)cc1 1325629 FROPJWFLJXDMIW-UHFFFAOYSA-N 357.479 3.223 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\[C@H]1C(=O)N(c2ccccc2)N=C1C 16607374 QPAPQRFSPBUJAU-ZJYZBMPFSA-N 358.401 3.374 10 40 FGCB CCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CCO)SC1=S 1513186 UIHORNPAHDFGLP-MFUUIURDSA-N 364.517 3.197 10 40 FGCB CCCCc1cc(=O)oc2c(CN[C@@H](C(=O)O)[C@@H](C)CC)c(O)ccc12 2137303 DGCSYLIWTOPBBP-KPZWWZAWSA-N 361.438 3.430 10 40 FGCB biogenic CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)NC1=S 2263387 PRAKNMQWMGRIMB-GZTJUZNOSA-N 367.474 3.049 10 40 FGCB CC1(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(F)cc1Br)C(=O)C2=O 100225833 YDXFANZMKWQYPP-JDNHERCYSA-N 368.202 3.101 10 40 FGCB C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCC(=O)O)C1=O 12377922 OPJMPDNYXRIESN-AHEVQNHNSA-N 361.444 3.070 10 40 FGCB O=C(CSCc1ccccc1F)NCc1ccc(N2CCOCC2)cc1 222707477 UCZSNEJNFQACCM-UHFFFAOYSA-N 374.481 3.212 10 40 FGCB Cc1cccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c1 5551788 QQQJZNSDGXVKFQ-WJDWOHSUSA-N 368.483 3.470 10 40 FGCB CCc1ccc(C(=O)N2CCN(c3ccc(OC)cc3[N+](=O)[O-])CC2)cc1 6225194 HYVWOULLYLWMFY-UHFFFAOYSA-N 369.421 3.128 10 40 FGCB CN(C)c1ccc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 9113902 AGNJNYHSWCLXQH-UHFFFAOYSA-N 374.868 3.426 10 40 FGCB OC1CCN(c2ccc(CNCc3ccc(F)cc3F)cc2F)CC1 98173856 YOHLPYAEGKLJHL-UHFFFAOYSA-N 350.384 3.355 10 40 FGCB CN1C(=O)/C(=C\c2cn(C)c3ccccc23)C(=O)N(c2ccccc2)C1=O 2282238 FJIPPGVNKMIMCP-SFQUDFHCSA-N 359.385 3.187 10 40 FGCB O=C1N=C(O)/C(=C\c2nc(-c3ccc(Cl)cc3)n3ccccc23)C(=O)N1 956899 WOIRIARQOMIBDE-UHFFFAOYSA-N 366.764 3.244 10 40 FGCB Cc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 225837869 GZXPZUOYRKCSLI-UHFFFAOYSA-N 352.478 3.389 10 40 FGCB O=C(O)[C@H]1CCCC[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 5030644 CAVIJGGXNIURPI-ZJUUUORDSA-N 370.357 3.373 10 40 FGCB in-vivo O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S 1817320 NEKSCRPLGMYFGM-XXYUJHKVSA-N 356.428 3.109 10 40 FGCB COc1cccc(/C=C2/SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)c1 33395841 MPDTWZMDASDWNU-YQCJOKCJSA-N 351.449 3.006 10 40 FGCB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccn1 222728644 VHXNFZPWHRQXOH-RBUKOAKNSA-N 363.490 3.486 10 40 FGCB CCCC12CN3CC(CCC)(CN(C1)C3c1cccc(OC)c1O)C2=O 19323566 MOMYGUYHELXDJG-UHFFFAOYSA-N 358.482 3.186 10 40 FGCB biogenic COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(O)c(OC)c1 408765851 BNRBMAVFHPNKAK-WJDWOHSUSA-N 371.433 3.406 10 40 FGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1ccc2ccccc2c1 408547099 VWGTXPUIVGSSKJ-BOPFTXTBSA-N 361.357 3.007 10 40 FGCB COc1ccc([C@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCS3)c(F)c1 2966138 HKTBELAJXILBPV-HXUWFJFHSA-N 373.473 3.313 10 40 FGCB CC[C@@H](C)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 109425797 OOVJGJKGUBXBCM-GPLLRDDGSA-N 367.405 3.368 10 40 FGCB Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3n[nH]c(N)n3)c2C)c1 6912268 ZLLJEALRENMNFC-UHFFFAOYSA-N 355.467 3.386 10 40 FGCB CCOC(=O)c1ccccc1NC(=O)/C=C1/Nc2ccccc2N=C1O 18189432 BPWYNWSXVKLSDZ-LFIBNONCSA-N 351.362 3.399 10 40 FGCB CCN(CC)C(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 5214862 CPCHIUIMXDHYAH-LCYFTJDESA-N 368.911 3.410 10 40 FGCB C/C(NCCc1c[nH]cn1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 4999673 UACULXQSXWTFJH-SILNSSARSA-N 371.444 3.267 10 40 FGCB CCc1ccc(N2NC(=O)/C(=C/c3cccc(Br)c3)C2=O)cc1 4470575 MTJXWEOXWGCSSW-WJDWOHSUSA-N 371.234 3.473 10 40 FGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 408894460 QOGUMKKFMOFLCC-VBKFSLOCSA-N 364.357 3.472 10 40 FGCB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1CN1CCCCC1 38205253 VCBPNCFLAWVKPC-UVTDQMKNSA-N 363.464 3.239 10 40 FGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OC)cc1 408975628 BLVMEVDJDAEQML-BOPFTXTBSA-N 353.374 3.161 10 40 FGCB Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C(C)C)c1 45881115 DGHYXBNBXNDFEF-QGZVFWFLSA-N 374.506 3.134 10 40 FGCB COc1ccc([C@]2(O)CN(c3ccccc3C)C3=[N+]2CCCS3)c(F)c1 4086803 CRIRLTHKHWVPCT-HXUWFJFHSA-N 373.473 3.313 10 40 FGCB Cc1oc2ccc(O)c(CN3CCN(C)CC3)c2c1C(=O)OCC(C)C 19794010 CQNBXEFBJVRWRA-UHFFFAOYSA-N 360.454 3.007 10 40 FGCB Cc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)o1 4356928 BUXTWARIGGNSKA-GWQWUEFDSA-N 373.455 3.485 10 40 FGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3C[C@H]3C)c2C)cc1 20833577 AZSHZANJQABXKG-PXAZEXFGSA-N 369.417 3.263 10 40 FGCB CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=[N-] 104841079 BVQNUSIQJSEXIR-FQEVSTJZSA-N 363.417 3.419 10 40 FGCB Cc1c(CC(=O)N2CCCc3ccccc32)c(=O)oc2c(O)c(O)ccc12 12894359 XHMBSDZWORIHHN-UHFFFAOYSA-N 365.385 3.035 10 40 FGCB biogenic CC(C)c1ccccc1N/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 6257212 PTDHOONTWYDFJB-ATVHPVEESA-N 363.417 3.384 10 40 FGCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)cc1 84191445 PJQOLUZWBDLRDR-INIZCTEOSA-N 365.399 3.461 10 40 FGCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 5373601 SCAGRUNJHCHNBC-WXHLEUTKSA-N 365.476 3.396 10 40 FGCB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OC(C)(C)C 107851082 RYCWUEJQJJQBLI-SSZFMOIBSA-N 366.417 3.334 10 40 FGCB Cc1cccc(N2C[C@H](C(=O)N(C)Cc3ccccc3O)CC2=O)c1C 42117431 NUVKHFJUKZBYIX-QGZVFWFLSA-N 352.434 3.021 10 40 FGCB CCN1C(=O)C(=CNc2cc(Cl)ccc2Cl)C(=O)N(CC)C1=O 5557258 KNLAZEVCVYHKSM-UHFFFAOYSA-N 356.209 3.120 10 40 FGCB aggregator CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 408784459 RHWOVLQMWRWLCS-SFQUDFHCSA-N 364.401 3.369 10 40 FGCB CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35349272 NXTDBTVMLXDOPB-OAQYLSRUSA-N 351.494 3.378 10 40 FGCB COCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 409126944 GKXMWZICGNVEOI-RVDMUPIBSA-N 350.415 3.109 10 40 FGCB COc1ccc(N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1 8663449 VDNGZDOGFNUTQY-UHFFFAOYSA-N 374.506 3.330 10 40 FGCB CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1 27530448 XQTZPHCERADDJP-XNTDXEJSSA-N 355.444 3.446 10 40 FGCB CN1C(=O)/C(=C/c2ccc(I)cc2)SC1=S 3044231 OPFGDKQDWACCNQ-TWGQIWQCSA-N 361.229 3.122 10 40 FGCB Cc1ccc(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)cc1 4086727 VYXBNDXEFANTNC-IBGZPJMESA-N 370.454 3.074 10 40 FGCB COc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1 53535734 GGJMAYKFRLCOCV-UHFFFAOYSA-N 357.479 3.018 10 40 FGCB NC(=O)[C@@H]1CCCN(c2ccc(CNCc3ccc(Cl)s3)cc2)C1 54179462 FQDVIPZMQHQEJV-CQSZACIVSA-N 363.914 3.393 10 40 FGCB CCCOc1ccc(/C=C2/SC(=S)N(CCOC)C2=O)cc1OC 96930794 ACFUJOVYHYFCKW-RVDMUPIBSA-N 367.492 3.332 10 40 FGCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(O)cc1 13815485 NCPVUYUPILLWDP-MOSHPQCFSA-N 373.412 3.261 10 40 FGCB COC(=O)C1=CN(c2ccc(C)c(F)c2)c2ccc(F)cc2S1(=O)=O 64979253 SVVRGLZKUFTEGX-UHFFFAOYSA-N 365.357 3.213 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 69772365 ILOPMJAEPZKCHM-QGZVFWFLSA-N 361.486 3.111 10 40 FGCB COc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1O 409198087 WSLXJQZMITUJJO-OQLLNIDSSA-N 360.460 3.357 10 40 FGCB CN(C)c1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1 4933325 MAHDJDXJGAAVDA-GXDHUFHOSA-N 362.451 3.131 10 40 FGCB CN(C)c1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 8995598 YLXZWQBMQUKVDJ-LFIBNONCSA-N 353.353 3.398 10 40 FGCB COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(OC)c1 13564439 VWJWCJULCKHAAZ-PBTLCFMXSA-N 365.476 3.084 10 40 FGCB O=C1N=C(O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(O)cc1 34234770 WZKSRVSOUBFNGD-GHXNOFRVSA-N 358.737 3.258 10 40 FGCB COC(=O)[C@H](C)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1 2087790 FCYSHOMZABROHP-LBPRGKRZSA-N 354.358 3.409 10 40 FGCB biogenic COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc(O)c1O 9322132 WNXDATNDVBXMKN-LJQANCHMSA-N 366.373 3.466 10 40 FGCB CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 2486389 NUUBFQMTRMAPEL-QWRGUYRKSA-N 363.435 3.019 10 40 FGCB O=C1N=C(O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)N1 9009979 DQJLYDLJAYKABU-UHFFFAOYSA-N 361.401 3.229 10 40 FGCB COc1ccc(-c2cc(=O)c3c(CN4CCOCC4)c(O)ccc3o2)cc1 19794113 JEVRLDVQDNFCRK-UHFFFAOYSA-N 367.401 3.006 10 40 FGCB biogenic Cc1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)n1-c1ccccc1 78899876 UQVIUYHYXBXULD-UHFFFAOYSA-N 352.413 3.316 10 40 FGCB O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@@H]1COCCO1 48678487 BDTVMPYHLFWVTG-PZJWPPBQSA-N 363.413 3.166 10 40 FGCB Cc1ccc(N2C(=O)N=C(O)/C(=C\NCCc3ccccc3)C2=O)cc1C 103118395 HIEUQYZNRLSNJE-QGOAFFKASA-N 363.417 3.443 10 40 FGCB Nc1c(NCCO)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O 5451764 LHSMICOZYRVSPH-UHFFFAOYSA-N 373.412 3.192 10 40 FGCB CCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O 409122799 BTLGOQIFUSTAPI-PTNGSMBKSA-N 350.415 3.109 10 40 FGCB CCCC[C@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 11865497 YTWACHHBSSXCNS-INIZCTEOSA-N 355.390 3.385 10 40 FGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 816783 MWERUFOPKZUFNX-UHFFFAOYSA-N 367.213 3.168 10 40 FGCB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccco1 409207976 AEGPSZGVNJQLKR-JXMROGBWSA-N 351.145 3.253 10 40 FGCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/C=C/c1ccco1 13535660 CIMDIXJFAGASGD-PPRDQHCASA-N 358.806 3.321 10 40 FGCB CN1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 1104698 WHWMSLCESSXLAU-JXMROGBWSA-N 365.172 3.345 10 40 FGCB Cc1cc(=O)oc(C)c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 4028807 JEVYVXIBBJTQQW-UHFFFAOYSA-N 373.364 3.284 10 40 FGCB biogenic COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 408984145 FIEFRXKYBJAFBF-PDGQHHTCSA-N 350.418 3.397 10 40 FGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COc2ccccc2)cc1 6747928 TWPPQLZMMPPCRB-NRFANRHFSA-N 368.477 3.339 10 40 FGCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@@H]1c1ccccc1F 84502024 UFFRDMMYUMAJRG-IAGOWNOFSA-N 372.415 3.221 10 40 FGCB O=C(O)COc1ccc(/C=C2\SC(Nc3ccccc3F)=NC2=O)cc1 210412010 UZMLURGHXIXZJC-DHDCSXOGSA-N 372.377 3.372 10 40 FGCB COc1ccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)c(OC)c1 4745693 MIDCMMZHNOPUKD-OQLLNIDSSA-N 360.460 3.448 10 40 FGCB COc1ccc(N2N=C(C)/C(=C\Nc3ccccc3[N+](=O)[O-])C2=O)cc1 101112624 GHFYHSSCLZORAP-RVDMUPIBSA-N 352.350 3.322 10 40 FGCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(CC)c3C)C2=O)cc1 409074656 UJVUNZQKCWMXAN-LDADJPATSA-N 365.433 3.354 10 40 FGCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2cccc(F)c2)o1 32593672 RGEAHPPRTNYDCE-LFIBNONCSA-N 358.394 3.388 10 40 FGCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@H]1c1ccccc1F 84502015 UFFRDMMYUMAJRG-IRXDYDNUSA-N 372.415 3.221 10 40 FGCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c1 12032579 WYYHOPRRRYYUIF-ZSOIEALJSA-N 357.412 3.496 10 40 FGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3cccnc3)cc2)SC1=S 4486139 BAKCOXAOXHZQQF-NTEUORMPSA-N 355.444 3.165 10 40 FGCB CN(C)c1ccc(/C=C(\C(=O)N2CCCCCC2)n2ccccc2=O)cc1 4560698 BVUNMPSQIKVCJB-LVZFUZTISA-N 365.477 3.315 10 40 FGCB CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 5373636 DDUGJAULLCKRIZ-XXYUJHKVSA-N 365.476 3.396 10 40 FGCB COc1ccc(C(=O)COC(=O)c2sc3nc(C)ccc3c2N)cc1 13575279 KNAAITUVCWDKEO-UHFFFAOYSA-N 356.403 3.235 10 40 FGCB COc1ccc2c(c1)CCCN2Cc1cc(=O)n2cc(Cl)ccc2n1 12542607 VKASOVJEBJYUJU-UHFFFAOYSA-N 355.825 3.309 10 40 FGCB COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC 13618209 PEORSOZXLDXBSJ-CDCQXCROSA-N 365.476 3.084 10 40 FGCB COc1ccc(Cl)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 10906309 ZCJNSOXTGQADNN-UHFFFAOYSA-N 374.868 3.457 10 40 FGCB O=S(=O)(c1c(Cl)ccc2nsnc12)N1CCCc2ccccc21 32579228 PIYXNKPGDQEBEJ-UHFFFAOYSA-N 365.867 3.486 10 40 FGCB CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 409345928 MDZAEJXRLZLMRY-XNFYSYIQSA-N 351.449 3.150 10 40 FGCB COc1ccc(N2CCC[C@]3(CN(Cc4csc(C)n4)CCO3)C2)cc1 96074760 WCIYIUCVBYZNHA-FQEVSTJZSA-N 373.522 3.332 10 40 FGCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 27828627 XODSAZVUJUAZMI-MDWZMJQESA-N 367.317 3.116 10 40 FGCB CC(C)OC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@H](C)C2 6253652 CJSWDGDCLYVYAQ-JTQLQIEISA-N 353.440 3.241 10 40 FGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C1=O 409241399 XERMJZCSTVKJIS-LICLKQGHSA-N 368.393 3.305 10 40 FGCB CCc1ccccc1N1C(=O)/C(=C/c2sccc2C)C(=O)NC1=S 409001644 PVTJRYKMNUVZQS-JLHYYAGUSA-N 356.472 3.450 10 40 FGCB COc1ccc(C2=C/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)O2)cc1 408741202 HMAMYJPICHZLPG-MLPAPPSSSA-N 367.313 3.313 10 40 FGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(OC)cc1OC 33682697 QSQJQRUHKKQWBL-BOPFTXTBSA-N 371.433 3.319 10 40 FGCB C[C@@H](NCC(=O)Nc1ccc(Br)cc1)c1cc(O)ccc1O 95940802 RPHPLVRHTVANLB-SNVBAGLBSA-N 365.227 3.150 10 40 FGCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\C=C\c2ccco2)C1=O 409251225 UDVPTSTUTBHKOX-MUGKHDKNSA-N 356.765 3.464 10 40 FGCB CN(C)c1ccc(/C=C/[C@H]2CC(C(F)(F)F)=NC(=O)N2)cc1[N+](=O)[O-] 5334502 DPANLOSSSAZXCC-GFAPAMAISA-N 356.304 3.159 10 40 FGCB O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\O 100962823 KLCVFIVKKSFTLK-BOPFTXTBSA-N 366.417 3.179 10 40 FGCB COc1ccc(N2CCN(CCC(=O)N[C@H](C)c3ccccc3)CC2)cc1 15513384 WZRIEVHAADCKJP-GOSISDBHSA-N 367.493 3.085 10 40 FGCB CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O 1018455 CVQRAOGRHULDCN-XNTDXEJSSA-N 370.405 3.056 10 40 FGCB CCCCCCN1CCN(Cc2ccc(N(CC)CC)cc2)C(=O)C1=O 5138847 CGAMLDQVUWMUSB-UHFFFAOYSA-N 359.514 3.284 10 40 FGCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408802117 DEGPCGSJNJSIOX-FOWTUZBSSA-N 350.374 3.060 10 40 FGCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc2c(c1)OCCO2 1255225 BNMPTYFDWTVPCZ-NVNXTCNLSA-N 356.428 3.259 10 40 FGCB CCCn1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c2ccccc21 9273374 FKEXQVJTDGTPFI-RIYZIHGNSA-N 360.460 3.337 10 40 FGCB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(O)cc2O)N3)C1 6358283 NFHHWKGVOMYELI-INIZCTEOSA-N 359.451 3.355 10 40 FGCB Cc1cc(N2CCCC2)ccc1/C=c1\sc2nc3ccccc3n2c1=O 9187282 AZFDZQQVRBLHFH-UYRXBGFRSA-N 361.470 3.366 10 40 FGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 408818356 XQYVGAQYODRYOU-SFQUDFHCSA-N 364.401 3.369 10 40 FGCB COc1ccc(N2CCN(C(=O)c3conc3-c3ccccc3)CC2)cc1 225872124 MDKHWVURMAOTMV-UHFFFAOYSA-N 363.417 3.313 10 40 FGCB NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 4718539 FRZVWENMAQXFAK-LXIYXOSZSA-N 371.418 3.069 10 40 FGCB COc1cccc(CN2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)c1O 100140998 GJZWSDGMISAFKT-HOCLYGCPSA-N 350.422 3.014 10 40 FGCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NCc1ccco1 27019086 JHVNULBCWHHWAB-PTNGSMBKSA-N 372.471 3.187 10 40 FGCB CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1ccc(O)c(O)c1 9015690 COVNNLLUWAZWMS-SFHVURJKSA-N 365.389 3.278 10 40 FGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1COc2ccccc2O1 32772562 TWERIBRTYZEIBP-NRFANRHFSA-N 366.461 3.475 10 40 FGCB CC1=NN(C(=O)c2ccccc2)C(=O)[C@@H]1/N=N\c1ccc([N+](=O)[O-])cc1 104230875 OXFDNFJVBHIBOG-RAJOGRCSSA-N 351.322 3.106 10 40 FGCB CN(C)Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2122827 POCHGLIMRJCEAL-UHFFFAOYSA-N 363.369 3.334 10 40 FGCB biogenic C[C@@H]1CN(C2=NC(=O)/C(=C/c3c[nH]nc3-c3ccccc3)S2)C[C@@H](C)O1 3904307 CUBAANKEPOUECM-DKMDKWEQSA-N 368.462 3.156 10 40 FGCB Cc1ccc(NS(=O)(=O)c2c(C)ccc3nsnc23)c([N+](=O)[O-])c1 4289718 WIIBCWYULSUXKL-UHFFFAOYSA-N 364.408 3.017 10 40 FGCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1 4341262 VCILSOIMBYJYTF-NTEUORMPSA-N 357.412 3.496 10 40 FGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1O 16292705 GLSZLPLECBWXAM-GDNBJRDFSA-N 352.350 3.327 10 40 FGCB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1 408810018 IFZJMCISBLHRBV-SXGWCWSVSA-N 355.419 3.376 10 40 FGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)cc3)C2=O)c1 408816224 SZFMMYVFDXYXNT-LDADJPATSA-N 364.401 3.449 10 40 FGCB O=C(O)c1cc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)ccc1O 27530370 METCIJBMPXLIQG-VGOFMYFVSA-N 373.411 3.202 10 40 FGCB COc1ccc(OC)c(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c1 5173465 AHFIUYRTBLJCPX-DHDCSXOGSA-N 372.808 3.127 10 40 FGCB Cn1cc([C@@H]2CC(c3ccccc3O)=NN2c2ccc([N+](=O)[O-])cc2)cn1 71785127 XHRKMBRZLQODQC-SFHVURJKSA-N 363.377 3.390 10 40 FGCB CCCCN1CCc2cc(/C=C3\C(=O)N(CC)C(=S)N=C3O)ccc21 33362137 BRFJXZNGBQPHFM-QINSGFPZSA-N 357.479 3.336 10 40 FGCB CCOC(=O)Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1772715905 XTMCSWAXRCPOHK-UHFFFAOYSA-N 373.412 3.137 10 40 FGCB CCOc1ccc(N2C[C@@](O)(c3ccc(F)cc3)[N+]3=C2SCCC3)cc1 2965967 MOXVFPNZOAESNM-HXUWFJFHSA-N 373.473 3.395 10 40 FGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1O 4356729 WPDJWPKOLWLIQD-AUWJEWJLSA-N 373.411 3.202 10 40 FGCB COc1cc(N2CCOCC2)ccc1/C=C1/C(=O)N(C)c2ccccc21 4682222 GRADLMQBFCDYTO-QGOAFFKASA-N 350.418 3.049 10 40 FGCB COc1ccc(N2CCN(C(=O)CCc3ccc(OC)c(C)c3)CC2)cc1 225091591 AMKSCTMMKDWREQ-UHFFFAOYSA-N 368.477 3.294 10 40 FGCB O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 669314 JBIVLRBTPPKKDP-QPEQYQDCSA-N 355.756 3.422 10 40 FGCB Cc1nc2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cc2o1 65442755 UVODQKZZUBRXPA-UHFFFAOYSA-N 366.421 3.295 10 40 FGCB CCOC(=O)C1=CCCCC1=[S@@]([O])(=O)Nc1ccc(F)cc1Cl 1560410717 GQJDOXKJUAWKHS-QHCPKHFHSA-N 360.814 3.282 10 40 FGCB Cc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(C)n1CC(C)C 7166787 IDKVSAZSQZQDKP-MLPAPPSSSA-N 352.481 3.047 10 40 FGCB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccc(N(C)C)cc1 58196692 KBLAHKPLWQSGNV-SFHVURJKSA-N 351.406 3.179 10 40 FGCB CN(C)c1ccc(CNC(=O)NCc2ncc(-c3ccccc3)o2)cc1 40120995 QXDVSWIXEVJPIN-UHFFFAOYSA-N 350.422 3.407 10 40 FGCB Oc1cc2c(cc1CN1CCN(Cc3cccc(Cl)c3)CC1)OCO2 22815397 GSRTYGBLZMVFAY-UHFFFAOYSA-N 360.841 3.092 10 40 FGCB COc1cccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1O 9322418 QSCBDOWAONGNGZ-DJJJIMSYSA-N 354.406 3.146 10 40 FGCB COc1cc(O)c(CN(C)Cc2cnn(-c3ccccc3)c2)cc1OC 89350773 YBWZKEAGXQUYBZ-UHFFFAOYSA-N 353.422 3.227 10 40 FGCB CC(C)CN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)NC1=S 2145988 AXULSMXWMUMMQG-DHDCSXOGSA-N 370.430 3.358 10 40 FGCB CN(C)C(=O)[C@]1(Nc2ccccc2)CCCN(Cc2ccc(F)cc2O)C1 2055751290 FWWGSEUUCHWQLB-NRFANRHFSA-N 371.456 3.066 10 40 FGCB Cc1cccc(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)c1 2966123 XSBLWZXPWBYVAH-LJQANCHMSA-N 370.454 3.074 10 40 FGCB COC(=O)c1ccc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)cc1 1202545 NHWQOIFNVFDBCA-LFIBNONCSA-N 364.357 3.288 10 40 FGCB CCN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N(CC)C1=O 5557263 ULTDJPBVLCJDRT-UHFFFAOYSA-N 356.209 3.120 10 40 FGCB Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC1CC1 6973025 CERPTYZLAMCIII-UHFFFAOYSA-N 366.284 3.220 10 40 FGCB COc1cc(OC)cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 48355442 YAKBEWOWDSIMAZ-UHFFFAOYSA-N 372.490 3.187 10 40 FGCB Cc1ccc(/C=C2\C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 33921834 MIDBIFHKQBAFHK-XNTDXEJSSA-N 357.207 3.219 10 40 FGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(O)c(OC)c1 6202290 YXUSUCHTUVPQAO-GDNBJRDFSA-N 357.406 3.016 10 40 FGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 103583555 SMFJVIWUTSNKPL-GDNBJRDFSA-N 358.394 3.314 10 40 FGCB CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1[N+](=O)[O-] 7786437 AATFEYXKFBZITD-GOSISDBHSA-N 352.394 3.390 10 40 FGCB CC[C@@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1OC 33668694 AJJYGGPRIHJJLV-INQVIGDZSA-N 366.417 3.334 10 40 FGCB Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C(C)C)c1 45881118 DGHYXBNBXNDFEF-KRWDZBQOSA-N 374.506 3.134 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl 59336663 VAWKNIVGHDUOBF-MDWZMJQESA-N 374.755 3.154 10 40 FGCB C[C@H](NCC(=O)Nc1ccc(Br)cc1)c1cc(O)ccc1O 95940801 RPHPLVRHTVANLB-JTQLQIEISA-N 365.227 3.150 10 40 FGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(O)cc1 4263475 SBKSRWZGDQYFIB-GXDHUFHOSA-N 374.443 3.215 10 40 FGCB O=C(O)CCCN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S 6661051 PYKQUGQATHQQRO-UVTDQMKNSA-N 358.444 3.301 10 40 FGCB CCOc1ccccc1C[C@H]1SC(=S)N(Cc2cccnc2)C1=O 6935897 KVHVHDZQJCMLJG-MRXNPFEDSA-N 358.488 3.452 10 40 FGCB CN(C)/C=C1/C(=O)N(c2ccc(OC(F)(F)F)cc2)N=C1C(F)(F)F 1384750 PZGRZVQHKNAUCZ-JXMROGBWSA-N 367.249 3.296 10 40 FGCB CC(C)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408601490 KGPUVWFCBXARQU-SFQUDFHCSA-N 364.401 3.388 10 40 FGCB CN(C)c1ccc(CN2CCC3(CC2)CN(Cc2ccccc2)C3=O)cc1 96202907 MHZVVQOHFCJMAT-UHFFFAOYSA-N 363.505 3.377 10 40 FGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccccc3O)cc2)SC1=S 5374794 QXDHNGFQXGCUAK-XNTDXEJSSA-N 370.455 3.476 10 40 FGCB CCN1C(=O)C(=Cc2ccccc2OCC(C)C)C(=O)N(CC)C1=S 408600716 FLPIAICTSZYXSL-UHFFFAOYSA-N 360.479 3.100 10 40 FGCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCCOCC 103917729 TXZNAYDDBIYTFT-JXAWBTAJSA-N 374.441 3.388 10 40 FGCB CCN(CC)c1ccc(CN(C)C(=O)c2ccc(NC(N)=O)cc2)cc1 57873197 PCJCECDPFYJHGW-UHFFFAOYSA-N 354.454 3.296 10 40 FGCB CC(C)c1ccc(N2C(=O)N=C(O)/C(=C/NN3CCCCC3)C2=O)cc1 6782275 ZPGGTGJDLTUZBA-VBKFSLOCSA-N 356.426 3.108 10 40 FGCB CCN1C(=O)/C(=C\N2CCN(c3cccc(Cl)c3)CC2)SC1=S 18168564 RLLKDIJVSXIXPK-SDNWHVSQSA-N 367.927 3.184 10 40 FGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)c1C 408893059 FDJOMGGPRRWZLX-NTEUORMPSA-N 370.792 3.329 10 40 FGCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NC(=S)NCc1ccccc1 408526957 DNRJEYJBBCGQND-AQTBWJFISA-N 364.474 3.266 10 40 FGCB Cc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c(C)n1-c1cccnc1 408770210 URYYJXZPFRNKIB-UHFFFAOYSA-N 352.390 3.243 10 40 FGCB COC(=O)C1=CN(c2ccc(Cl)cc2)c2cc(F)ccc2S1(=O)=O 64979203 MHFTUCAIMCFXEG-UHFFFAOYSA-N 367.785 3.419 10 40 FGCB CC(C)OC(=O)Cn1cc(/C=C2/SC(=S)N(C)C2=O)c2ccccc21 9235579 OIMZNBCRAIPXCT-OVCLIPMQSA-N 374.487 3.424 10 40 FGCB O=C(CN1CCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 10433974 JKUWEOLWZINSFD-MRXNPFEDSA-N 355.463 3.227 10 40 FGCB Cc1cnc2c(S(=O)(=O)N(C)Cc3ccc(N(C)C)cc3)cccc2c1 29339329 TXROJNQPOQTUPJ-UHFFFAOYSA-N 369.490 3.430 10 40 FGCB COc1ccc(N2C[C@@](O)(c3ccc(F)cc3)[N+]3=C2SCCC3)cc1 22405113 UUBKUEWXQFTDBY-LJQANCHMSA-N 359.446 3.005 10 40 FGCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCCC1 1217436 FYAPNEOEZZUFKC-QBFSEMIESA-N 366.533 3.352 10 40 FGCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCn1ccnc1 28461324 GCQIGYAYYLHRGY-UHFFFAOYSA-N 355.397 3.500 10 40 FGCB biogenic Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1cccc(F)c1 56636770 SSJBPGRXIRTKDH-UHFFFAOYSA-N 358.413 3.212 10 40 FGCB CCN1C(=O)C(=CNc2cc(Cl)ccc2Cl)C(=O)N(CC)C1=S 5557283 DSBNLYONFUOWKC-UHFFFAOYSA-N 372.277 3.285 10 40 FGCB COc1ccccc1/C=C1/SC(Nc2ccccc2C(=O)O)=NC1=O 35042477 XIPZCWGPDPQVPT-XNTDXEJSSA-N 354.387 3.476 10 40 FGCB CCN(Cc1cc(=O)n2nc(C(C)C)sc2n1)c1ccc(OC)cc1 41108710 TXDHLLNETSSBLG-UHFFFAOYSA-N 358.467 3.310 10 40 FGCB O=C1N=C(O)/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccc(Cl)cc1 1297330 DCBWSCLMCVJGBP-KPKJPENVSA-N 358.737 3.258 10 40 FGCB COC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 5793830 IDOWHZADDXWDIA-FMIVXFBMSA-N 355.868 3.494 10 40 FGCB CN1C(=O)C(=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)N(C)C1=O 1085976 IQUUKGZMWLMURF-UHFFFAOYSA-N 372.465 3.421 10 40 FGCB COc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1OC 2112796 UIWZTAXGVXQYMG-UHFFFAOYSA-N 353.374 3.475 10 40 FGCB biogenic COC(=O)c1nn(-c2ccccc2)c(=O)c(/N=N/c2ccc(C)cc2)c1O 98212051 VCHXUFBJBNXPFW-QZQOTICOSA-N 364.361 3.449 10 40 FGCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OC)SC1=S 5373542 XEJGPWJVWNQYOX-OIQXIXSWSA-N 365.476 3.396 10 40 FGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccc(F)cc1 25371902 RNWVLWHWFUSMQH-UHFFFAOYSA-N 350.459 3.244 10 40 FGCB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1cccc(Cl)c1 9885013 UMTZTYIJEDUOQS-UHFFFAOYSA-N 361.858 3.423 10 40 FGCB O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccco1 408722327 HGLYAGKANGTOCS-JXMROGBWSA-N 367.213 3.418 10 40 FGCB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 13676353 KVKRFSSHHDEHHW-HNNXBMFYSA-N 374.868 3.260 10 40 FGCB COc1ccc(N2CCN(CC(=O)N(C3=CCCCC3)C3CC3)CC2)cc1 57292153 HSFWUEDFOIJGKS-UHFFFAOYSA-N 369.509 3.266 10 40 FGCB Cc1nc([C@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)cc(=O)[nH]1 19285243 BMPYRKALBXBTMQ-SFHVURJKSA-N 352.482 3.058 10 40 FGCB Cc1noc(CCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)n1 19719232 OKOKOUBIONDJBX-OAHLLOKOSA-N 356.470 3.424 10 40 FGCB CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2F)C1=O 5593111 WQVKADBMIWAFSP-ACCUITESSA-N 370.405 3.056 10 40 FGCB CC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 103121660 TWGWKUBZOPVJIY-YBEGLDIGSA-N 367.336 3.447 10 40 FGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 27533585 VODYDPBUAABDHZ-VTKSJHKGSA-N 369.489 3.243 10 40 FGCB CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(O)c(O)c3)C(=O)N=C2S1 4001040 DDLQOBLTIMOIAO-OOJRFANJSA-N 358.423 3.153 10 40 FGCB COc1ccc(N2CCN(c3ccc(N)cc3Br)CC2)cc1 34475284 AYTJNKSKUKQVKY-UHFFFAOYSA-N 362.271 3.367 10 40 FGCB COc1cccc(CN2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)c1O 72336928 GJZWSDGMISAFKT-GOEBONIOSA-N 350.422 3.014 10 40 FGCB COc1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc(OC)c1O 9188864 MKEVMFNUANLRMR-PTNGSMBKSA-N 362.451 3.256 10 40 FGCB CCN1C(=O)/C(=C/c2cc(O)c(OC)cc2Br)SC1=S 96662755 MKYKATMPHVDQCV-WZUFQYTHSA-N 374.281 3.384 10 40 FGCB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1O 9322426 QSCBDOWAONGNGZ-BFUOFWGJSA-N 354.406 3.146 10 40 FGCB CCN1C(=O)/C(=C\c2ccccc2Sc2ccccc2)C(=O)NC1=S 409392358 PFQREABXPKMYSU-QINSGFPZSA-N 368.483 3.484 10 40 FGCB COc1cccc([C@H]2CC(c3ccccc3)=NC3(CCN(C)CC3)N2)c1O 65298167 ZNVAJWGMPSAYTQ-LJQANCHMSA-N 365.477 3.346 10 40 FGCB COc1ccc([C@@]2(O)CN(c3ccccc3C)C3=[N+]2CCCS3)cc1 2966060 UWMBOGBPOKQPEL-FQEVSTJZSA-N 355.483 3.174 10 40 FGCB Cc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)o1 27229564 IIAPLLRNXINWET-LGMDPLHJSA-N 353.447 3.381 10 40 FGCB O=C1NC(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc[nH]1 105966164 MMBUJTAZCYJKJL-KPKJPENVSA-N 366.229 3.153 10 40 FGCB COc1ccccc1/C=C1\SC(=S)N([C@H](C(=O)O)C(C)C)C1=O 1786513 RLXXJLGITYTWFS-FSBNRTBOSA-N 351.449 3.006 10 40 FGCB Cc1nccn1C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 36752786 XHZRAAVWMWABDG-LJQANCHMSA-N 372.488 3.079 10 40 FGCB O=C(O)[C@H]1CS[C@@H](c2ccccc2O)N1Cc1cc(Cl)ccc1O 23187619 TWADQDKHELMUTE-CJNGLKHVSA-N 365.838 3.452 10 40 FGCB COc1ccc(N2CCCN(C(=O)N[C@H](C)c3ccccn3)CC2)cc1 56383310 WEJBZGZEQHMUOW-MRXNPFEDSA-N 354.454 3.073 10 40 FGCB COC(=O)c1c(NC(=O)C[C@H](C(=O)O)c2ccccc2)sc2c1CCC2 13249707 RKRDSEIHTLINPJ-ZDUSSCGKSA-N 373.430 3.220 10 40 FGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)cc3)S2)cc1 35042456 PEJQGVNBJGOVSY-MHWRWJLKSA-N 353.403 3.433 10 40 FGCB O=C1NC(=S)S/C1=C\c1cc(Br)cc(Cl)c1O 13476303 UCJRZERBHWQWEO-UQCOIBPSSA-N 350.646 3.297 10 40 FGCB Cc1cccc(NC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)c1 35597199 MYMTXTBFDGSBQH-FQEVSTJZSA-N 352.482 3.412 10 40 FGCB CCCCCCN/C=C1/C(=O)NC(=S)N(CCC2=CCCCC2)C1=O 2374539 RJEOJMQVTRFTRV-PEZBUJJGSA-N 363.527 3.174 10 40 FGCB CCc1ccc(N2C(=O)/C(=C/c3sccc3C)C(=O)NC2=S)cc1 408992341 AIUWZSQSHGUMMN-GXDHUFHOSA-N 356.472 3.450 10 40 FGCB COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]21 248258459 ULRGCDBKRHSJJE-AQOAWAETSA-N 369.461 3.226 10 40 FGCB COC(=O)c1ccccc1N/C=C1/SC(=S)N(Cc2ccco2)C1=O 101478577 VYPCEQCKNYRJGX-NTEUORMPSA-N 374.443 3.380 10 40 FGCB CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@H]3c3ccsc3)nc12 48249388 DXMMMZOQOXANDX-HNNXBMFYSA-N 372.450 3.010 10 40 FGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccccn1 16789998 YPJUYOZTXTUKGY-LGMDPLHJSA-N 368.437 3.013 10 40 FGCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1C1=C[C@H]2OCO[C@H]2C=C1 26771492 VVYBCQIQQGHBHW-MUQJQXRWSA-N 361.419 3.222 10 40 FGCB CC(=O)N1CCC(NC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 48235009 FTHGVVZTILIPNS-UHFFFAOYSA-N 353.466 3.143 10 40 FGCB CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(F)cc3)S2)C1 41206372 RVFXZKMWJIIILX-NWFCWYBLSA-N 362.426 3.071 10 40 FGCB CCN(CC)c1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)NC2=O)cc1 3174201 LSTNJIKVXOSKCF-PDGQHHTCSA-N 364.405 3.359 10 40 FGCB CN1CCc2cc([C@@H](CNC(=O)NC(C)(C)C)N3CCCCC3)ccc21 35597224 FXBRZMFMSUAXIZ-LJQANCHMSA-N 358.530 3.304 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2CCCC2=O)cc1 12544099 BKKOESIFEPFBCJ-UHFFFAOYSA-N 351.450 3.152 10 40 FGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1 408757497 YOGKYRJOUAHPKJ-UHFFFAOYSA-N 371.824 3.181 10 40 FGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1O 16160786 KNDAJOHWHLGTNB-ZROIWOOFSA-N 356.313 3.158 10 40 FGCB CN(C)c1ccc([C@@H]2Nn3c(nnc3-c3ccc([N+](=O)[O-])cc3)S2)cc1 3843217 ACAQMIOEGSFJBR-MRXNPFEDSA-N 368.422 3.267 10 40 FGCB biogenic O=C1NC(=O)C(=Cc2c(Cc3cccc(F)c3)ccc3ccccc23)C(=O)N1 408876515 POZDTCXHSAKFOI-UHFFFAOYSA-N 374.371 3.319 10 40 FGCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(C(=O)O)cc3)S2)cc1 13343510 QOEQVFGKHMDCIG-XNTDXEJSSA-N 354.387 3.476 10 40 FGCB COc1cccc(NC2=NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c1 18153964 XIXPBOMXHLAKRH-NXVVXOECSA-N 365.414 3.124 10 40 FGCB CCCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O 2069767 QVLVUVVWGGDWPT-UHFFFAOYSA-N 369.826 3.413 10 40 FGCB O=C1/C(=C\c2nc3ccccc3[nH]2)C(O)=NC(=S)N1C1CCCCC1 13773791 ULUFQQDNJHUPAN-BENRWUELSA-N 354.435 3.363 10 40 FGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cccc(Cl)c2)C1=O 408534143 UZRPJNPDAHMVBE-RVDMUPIBSA-N 369.808 3.481 10 40 FGCB Cc1ccc(O)c(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)c1 72327162 FBDWDKYNSWLWNQ-UHFFFAOYSA-N 362.477 3.181 10 40 FGCB COc1ccc(N2N=C(C)/C(=C/Nc3cc(C(=O)O)ccc3C)C2=O)cc1 16347097 HOAAOTOTJFEABT-BOPFTXTBSA-N 365.389 3.420 10 40 FGCB COc1ccc(O)c(CN2C[C@@H]3CCCN3C[C@H]2Cc2ccccc2)c1 19551691 VWGHUHVNFCFYMC-VQTJNVASSA-N 352.478 3.292 10 40 FGCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccc(Oc2ccccc2)cc1 34926865 QJYADVFUVMKMOE-AWEZNQCLSA-N 358.444 3.324 10 40 FGCB CCOc1cccc([C@H]2NC(=O)c3c(sc4c3CCN(CC)C4)N2)c1O 6891464 ALTPWJXUMZAQDE-KRWDZBQOSA-N 373.478 3.085 10 40 FGCB CCCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 409348617 PEVJPOLYRYFUIV-LCYFTJDESA-N 353.465 3.324 10 40 FGCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2ncnc2N1 703567 NAQHQGAMALNPIZ-LJQANCHMSA-N 374.448 3.272 10 40 FGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1O 4745473 NKHNBHQUXUURKK-GXDHUFHOSA-N 374.443 3.215 10 40 FGCB CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccc(F)cc2)cc1 56105679 JFEJFVKRNLAGTJ-UHFFFAOYSA-N 350.459 3.292 10 40 FGCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1C1=C[C@@H]2OCO[C@@H]2C=C1 26771489 VVYBCQIQQGHBHW-WZCIPHSXSA-N 361.419 3.222 10 40 FGCB Cc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3cnn(C)c3)c2C)cc1 26874269 PSHRXHWZKHKVOQ-UHFFFAOYSA-N 350.466 3.451 10 40 FGCB Cc1cc(I)cc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@@H]21 101566541 QTTDZDKFEMOZEY-GBIKHYSHSA-N 355.175 3.138 10 40 FGCB Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1-c1ccc2c(c1)OCO2 8194694 OXRADWCJCPVEOU-UHFFFAOYSA-N 368.462 3.382 10 40 FGCB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 13670411 OXENSMUZYUGXOG-KRWDZBQOSA-N 370.518 3.461 10 40 FGCB Oc1ccc(Cl)cc1CN1CCC[C@@H](c2noc(-c3cnccn3)n2)C1 19293011 FWXKSKYPVIHTMA-GFCCVEGCSA-N 371.828 3.265 10 40 FGCB COc1ccc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)c(O)c1 12119194 DKKACYQCUCUJTO-HNNXBMFYSA-N 354.406 3.146 10 40 FGCB O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ncccc2O)cc1 18153246 QSBBSKSGACMGTB-FMQUCBEESA-N 355.379 3.398 10 40 FGCB COc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)c1 1764027 UMWKECNWLQGLGP-XYOKQWHBSA-N 373.346 3.172 10 40 FGCB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1O 1006543 OWQSBDQKXCUBDO-UHFFFAOYSA-N 355.799 3.023 10 40 FGCB Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(O)cc2)C(=O)NC1=S 9263207 MDPCPCMSMQDRRB-LCYFTJDESA-N 372.833 3.185 10 40 FGCB CN(C)c1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 58165453 ZTLSAUJXIFCPGE-UHFFFAOYSA-N 368.481 3.415 10 40 FGCB CCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1C 1134786 ACNQYJDZSXHWIO-LICLKQGHSA-N 368.393 3.126 10 40 FGCB Cn1ccc(/C=C2/SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)c1 5373998 GAUJTMLMYHWOMV-KADHNRKRSA-N 358.444 3.052 10 40 FGCB COc1cccc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c1O 59135689 IMYRRHDFCGKEBQ-LUAWRHEFSA-N 372.377 3.212 10 40 FGCB CC[C@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Cl 4723752 NFXMAPUGUCCZAN-JTQLQIEISA-N 366.870 3.116 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cc4sccc4n3C)CC2)cc1 6802740 QFPWKPBTRIFSQW-UHFFFAOYSA-N 355.463 3.211 10 40 FGCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408868372 MGEDICXDUXZEAC-SFQUDFHCSA-N 350.374 3.060 10 40 FGCB Cc1ccc(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)cc1 4086726 VYXBNDXEFANTNC-LJQANCHMSA-N 370.454 3.074 10 40 FGCB COc1ccc(-c2cc3ccc(O)c(CN(C)C)c3oc2=O)c(OC)c1 4084955 UABLMLRSKZQZEV-UHFFFAOYSA-N 355.390 3.244 10 40 FGCB biogenic COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)cc1OC 15010451 NCZMQVYSALFPRC-GXDHUFHOSA-N 368.414 3.375 10 40 FGCB C[C@@H](NC(=O)/C=C/c1ccco1)c1ccc(N2CCN(C)CC2)c(F)c1 56269781 WHEORVAOLIHQDQ-PMGBHYCQSA-N 357.429 3.061 10 40 FGCB COc1ccc(N2CCN(C(=O)Nc3ccc(OC)cc3OC)CC2)cc1 5393892 IBTRNNHWVPLCQJ-UHFFFAOYSA-N 371.437 3.067 10 40 FGCB C[C@H]1Sc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2NC1=O 18214880 HMFREPGHGCJCIX-GFCCVEGCSA-N 355.463 3.115 10 40 FGCB CCCOc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 217013188 YCQDEUGVMYLJTG-UHFFFAOYSA-N 367.493 3.157 10 40 FGCB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC(C)(C)C 107851087 RYCWUEJQJJQBLI-DTQAZKPQSA-N 366.417 3.334 10 40 FGCB O=C(CSc1nccs1)N1CCN(Cc2ccc(Cl)cc2)CC1 32932513 ARYKREXOHZZTDK-UHFFFAOYSA-N 367.927 3.233 10 40 FGCB CCOc1cccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)c1O 778802 SVLIFNGCCLDBGG-UHFFFAOYSA-N 360.498 3.261 10 40 FGCB O=C(O)CCN1C(=O)/C(=C/c2ccccc2Br)SC1=S 2825107 MVVSVZWWNZFDSS-YFHOEESVSA-N 372.265 3.125 10 40 FGCB O=C1/C(=C/c2ccc([N+](=O)[O-])s2)C(O)=NC(=S)N1c1ccccc1 9043861 VYFLSDOIBJEZJP-DHZHZOJOSA-N 359.388 3.328 10 40 FGCB Cc1c(C)c2cc(Cl)c(O)c(CNCCCn3ccnc3)c2oc1=O 9421335 IWAUMJPWTVYPFN-UHFFFAOYSA-N 361.829 3.145 10 40 FGCB O=C1NC(=O)C(=Cc2c(Cc3ccccc3F)ccc3ccccc23)C(=O)N1 408867917 KQVBJYIBEJBLRY-UHFFFAOYSA-N 374.371 3.319 10 40 FGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 6096981 PCXNIDMYQSYNFU-OYGDSYQHSA-N 371.480 3.233 10 40 FGCB O=C(O)CCOc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1 96307128 JNHPHRQYIZZXJX-RVDMUPIBSA-N 360.435 3.043 10 40 FGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(C)n1 100423372 KIVDVIDRAARRMX-RGEXLXHISA-N 364.405 3.042 10 40 FGCB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NCc1ccc(N(C)C)cc1 10433379 GJGSWQVCGWVBAN-IBGZPJMESA-N 359.514 3.090 10 40 FGCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccncc2)SC1=S 5814105 YURKUQBFLHYZLE-UELRPHRMSA-N 356.428 3.109 10 40 FGCB CCOc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)C(=O)NC2=S)c1 5654383 XIUPXIHVQITCMZ-YBEGLDIGSA-N 370.405 3.056 10 40 FGCB COc1ccc(-n2c(C)cc(C(=O)Nc3cccn(C)c3=O)c2C)cc1 74073027 ZJRMXYHTPSULFE-UHFFFAOYSA-N 351.406 3.054 10 40 FGCB COc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1O 36613178 SARVXNONKJZWEN-WUXMJOGZSA-N 368.436 3.166 10 40 FGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 6096973 NGBCUZOLYWHZEJ-HZAKCSEPSA-N 359.519 3.156 10 40 FGCB COC(=O)COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 1205985 MJPHNMMYPBVBFK-PDGQHHTCSA-N 350.374 3.045 10 40 FGCB COc1ccc(N2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)cc1 12629326 LDGPABVCXHLUJU-UHFFFAOYSA-N 371.510 3.424 10 40 FGCB Cc1cc(C(=O)NCCN2CCOCC2)c(C)n1-c1cccc(C(C)C)c1 48309420 IGTARRYRKVJDCH-UHFFFAOYSA-N 369.509 3.280 10 40 FGCB Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)(F)F)cc3)CC2)on1 66323093 VAXOCNSYDZRNDP-UHFFFAOYSA-N 369.343 3.280 10 40 FGCB CCCOc1ccc(OCCN(CCC(N)=O)c2ccc(OC)cc2)cc1 24060141 LBFGNPFNEDNLDU-UHFFFAOYSA-N 372.465 3.245 10 40 FGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1 12526783 MBXOLNKLVSAAPJ-UHFFFAOYSA-N 360.479 3.166 10 40 FGCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408813578 OJUJSICFZJHIOT-FOWTUZBSSA-N 364.401 3.369 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccccc1Cl 12533619 QMUBUPCDIFKZJG-UHFFFAOYSA-N 374.868 3.214 10 40 FGCB CCOc1ccc(C(=O)NCCN(C)c2ccc(OC)cc2)cc1OCC 225066811 QRRDGTIYJYZWEL-UHFFFAOYSA-N 372.465 3.359 10 40 FGCB COc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)NC2=S)cc1 4116900 VLASJDMBMVFGGD-ATVHPVEESA-N 353.447 3.023 10 40 FGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OCC(N)=O 100147716 HSHLUWMBEMQXLB-YBEGLDIGSA-N 369.808 3.010 10 40 FGCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\SC(=O)NC2=O)c1C 408817468 WJIHYOTUPSYZMQ-CHHVJCJISA-N 373.390 3.335 10 40 FGCB CN(C)c1ccc([C@H]2Nn3c(nnc3-c3ccc([N+](=O)[O-])cc3)S2)cc1 3843218 ACAQMIOEGSFJBR-INIZCTEOSA-N 368.422 3.267 10 40 FGCB biogenic O=C1NC(=S)S/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2301218 DPSAGOHGVAVHML-KPKJPENVSA-N 359.388 3.271 10 40 FGCB O=C1/C(=C/C=C/C=C/c2sc3cccc[n+]3c2O)Sc2cccc[n+]21 5583178 QFDHCMSQJVLIAX-UHFFFAOYSA-O 366.467 3.379 10 40 FGCB CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCC)C2=O)cc1 27563139 VYCADOHRLSYTEL-UVTDQMKNSA-N 365.476 3.240 10 40 FGCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)C(=O)NC2=S)cc1 4723861 IOQPTPXNZJAKMN-ATVHPVEESA-N 366.442 3.225 10 40 FGCB CCc1ccc(N2C(=O)/C(=C/c3cccc(C)c3)C(=O)NC2=S)cc1 409378733 QYGNOPBJIHCEFB-SFQUDFHCSA-N 350.443 3.389 10 40 FGCB Cc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)c1 408915135 VFQHCUXSBHJRGA-LICLKQGHSA-N 352.365 3.417 10 40 FGCB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(N2CCCC2)cc1 8418805 RZNXYVTYPXQHTP-UHFFFAOYSA-N 352.467 3.347 10 40 FGCB Cc1ccc(-c2c3c(nc4nc(N)nc(N)c24)-c2ccccc2C3=O)cc1 10339133 YUQXQCGMHQAIAU-UHFFFAOYSA-N 353.385 3.376 10 40 FGCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 9188744 XXUCQJYDCRRZDL-GDNBJRDFSA-N 370.455 3.247 10 40 FGCB CCOc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1O 4103990 NQULQGJNKONORU-WGAGLLEQSA-N 358.423 3.066 10 40 FGCB CN(C)c1ccc(/C=C2\CCn3c2nc2cc(C(=O)O)ccc2c3=O)cc1 8727660 ALDUZFVXEIJHAN-SDNWHVSQSA-N 361.401 3.105 10 40 FGCB CC(C)(C)NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 1346216 XESBBAMCQRSEGO-UHFFFAOYSA-N 358.423 3.398 10 40 FGCB O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)nc2O)cc1 18255989 QKIIJMCRQXHKJH-FMQUCBEESA-N 371.378 3.104 10 40 FGCB COc1ccc(N2CCn3c(nc4cc(C(=O)NC(C)C)ccc43)C2)cc1 20736219 LCECOZDGZDCYIW-UHFFFAOYSA-N 364.449 3.203 10 40 FGCB O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc2[nH]c(=O)[nH]c2c1 7344454 LPOPLSDTRJCWDM-UHFFFAOYSA-N 373.825 3.117 10 40 FGCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408807768 KYLQBHNNZITBHH-XNTDXEJSSA-N 370.792 3.405 10 40 FGCB Oc1ccccc1CN1CCC2(CC1)Nc1ccccc1C1=NCCCN12 19348931 UYALSHDKGRXXPL-UHFFFAOYSA-N 362.477 3.262 10 40 FGCB CCOc1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 225421010 VQXVOEIISTUEDD-UHFFFAOYSA-N 371.506 3.409 10 40 FGCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCCO 100423201 WLWYPXROHBCWMH-VBKFSLOCSA-N 358.467 3.045 10 40 FGCB N=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N=C2SC=NN12 41107932 BGYOUICUIICAOW-DICXTUCDSA-N 367.346 3.104 10 40 FGCB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 19934510 YZZBUJDJKZCHKM-FQEVSTJZSA-N 372.440 3.136 10 40 FGCB COc1cc(N2N=C(C)/C(=C/Nc3c(C)n[nH]c3C)C2=O)ccc1Cl 59858471 DJXNVWOCAWGHBT-JYRVWZFOSA-N 359.817 3.407 10 40 FGCB CCOc1cccc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1O 6784197 XRFPOESYOPYPRP-INIZCTEOSA-N 359.451 3.269 10 40 FGCB COc1ccc(-c2oc3c(O)c(O)c(C(C)=O)cc3c2CC(=O)O)cc1 1547138455 AXISINAXQTXVOX-UHFFFAOYSA-N 356.330 3.349 10 40 FGCB biogenic N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 4520470 FANWQOHNJQTNPZ-IFZMCDNSSA-N 363.324 3.349 10 40 FGCB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 40161575 PYYKCZJDTMWCIP-GOSISDBHSA-N 359.470 3.456 10 40 FGCB CCOc1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)cc1OC 9189299 LCHUVBBFNLRFPB-PTNGSMBKSA-N 367.492 3.332 10 40 FGCB CCOC(=O)N1CCC(OC(=O)/C=C/c2ccc3c(c2)CCCN3C)CC1 61069742 STJZFOKUYJZSKA-VQHVLOKHSA-N 372.465 3.246 10 40 FGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccccn1 27530492 YPJUYOZTXTUKGY-GHRIWEEISA-N 368.437 3.013 10 40 FGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3c(C)n(C)c4ccccc34)C2=O)c1 4649279 JHLVJGHTXZTVRU-PDGQHHTCSA-N 373.412 3.462 10 40 FGCB CN(C)c1ccc(/C=C2\NC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 17166933 LPVCMFVVRGDUQW-AQTBWJFISA-N 366.490 3.081 10 40 FGCB COc1cc2c(c(O)c1OC)[C@@H]1Cc3ccc(OC)c(OC)c3CN1CC2 1719514 GSPIMPLJQOCBFY-HNNXBMFYSA-N 371.433 3.082 10 40 FGCB biogenic,in-vitro Cc1cc(C(=O)N(C)Cc2ccccc2O)c2nc3n(c2n1)CCCCC3 42116813 RIULMSJOIAVJEN-UHFFFAOYSA-N 364.449 3.444 10 40 FGCB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccc(N(C)C)cc1 58196693 KBLAHKPLWQSGNV-GOSISDBHSA-N 351.406 3.179 10 40 FGCB CN(C)c1ccc([C@@H]2Nn3c(nnc3-c3cccc([N+](=O)[O-])c3)S2)cc1 3843231 WNZMCGOFONPLBG-MRXNPFEDSA-N 368.422 3.267 10 40 FGCB biogenic CC(=O)O[C@@H](C)c1csc2c1C(=O)c1cc([C@H](C)O)sc1C2=O 390823344 ZSOAKSVUSXHJPU-BQBZGAKWSA-N 350.417 3.262 10 40 FGCB CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)cc1 5953256 QBISFDGJZRCORD-UHFFFAOYSA-N 370.357 3.343 10 40 FGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1C 13674632 OROGOWJTEDNIHO-UHFFFAOYSA-N 374.506 3.472 10 40 FGCB COc1ccc(-n2c(C)cc(CNCCC(=O)N3CCCC3)c2C)cc1 12549075 DZFSVHNUUUWIAZ-UHFFFAOYSA-N 355.482 3.205 10 40 FGCB FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1cccnc1 69714836 QZLPBTWFIVERMB-UHFFFAOYSA-N 351.372 3.227 10 40 FGCB COc1ccc(-c2cc(CC3(NCc4ccccc4O)COC3)no2)cc1 72321960 UPNDOZYFVIOPEX-UHFFFAOYSA-N 366.417 3.157 10 40 FGCB biogenic,in-vitro CCOc1ccc(-c2nnc3n2N=C(c2ccc(O)c(O)c2)CS3)cc1 5025332 YEMPLINUKWVRPQ-UHFFFAOYSA-N 368.418 3.113 10 40 FGCB COc1ccc(CN2C[C@@H]3CCCN3C[C@H]2Cc2ccccc2)c(O)c1 19551848 FQWHICRTWZHSGI-VQTJNVASSA-N 352.478 3.292 10 40 FGCB CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 4409491 YDUQVCCWGCFDAO-PZPSRYQVSA-N 357.454 3.112 10 40 FGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCC1 4745380 CCLKQAYCPBONPI-XYOKQWHBSA-N 352.506 3.008 10 40 FGCB COc1ccc(N2CCN(CCC(=O)N[C@@H](C)c3ccccc3)CC2)cc1 15513380 WZRIEVHAADCKJP-SFHVURJKSA-N 367.493 3.085 10 40 FGCB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1cccc(O)c1 1248169 JMKNEYVCPFXGKU-ZSOIEALJSA-N 374.418 3.078 10 40 FGCB Cc1cc(C(=O)OCc2nnnn2-c2ccccc2)c(C)n1-c1ccccc1 17532520 YCOMHHGNLQTIMC-UHFFFAOYSA-N 373.416 3.427 10 40 FGCB O=C(O)CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 966826 LNSRBGSDKMPINU-JXMROGBWSA-N 372.265 3.125 10 40 FGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375012 LIIIRNSDVMUKBV-GFAPJHNFSA-N 363.460 3.344 10 40 FGCB COc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c(F)c1 3912312 XCAGNOAFRKBFNG-LJQANCHMSA-N 359.446 3.005 10 40 FGCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(C)c2C)C1=O 409220585 BUDVJIZIHSTZTI-NTEUORMPSA-N 371.824 3.270 10 40 FGCB COc1ccc(N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)cc1 914864035 HFHPDFJFXRFNFM-UHFFFAOYSA-N 352.360 3.139 10 40 FGCB Cc1cc(N2CCCC2)ccc1/C=c1/sc2nc3ccccc3n2c1=O 16282072 AZFDZQQVRBLHFH-CPNJWEJPSA-N 361.470 3.366 10 40 FGCB CCOc1ccccc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 7166590 XKKFJCGLNOSUQU-RAXLEYEMSA-N 351.449 3.151 10 40 FGCB CCCCCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1 4044217 XBVJAWHDLVBLCT-KRWDZBQOSA-N 361.511 3.279 10 40 FGCB Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)ccc1[N+](=O)[O-] 5097700 XZWGDCILJXJBSG-LJQANCHMSA-N 370.453 3.002 10 40 FGCB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)C(O)=NC(=S)N1c1ccccc1F 59135778 RYOXGWAPXMETPU-FMIVXFBMSA-N 371.349 3.406 10 40 FGCB CCOc1ccc(C(=O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 67206141 PSGHWLLINNJLCV-UHFFFAOYSA-N 354.450 3.099 10 40 FGCB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1cccs1 1412519 JZDIZTKTGTWYCA-XYOKQWHBSA-N 364.448 3.433 10 40 FGCB CN1C(=S)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 3419101 VFLGCLNKTPVPMC-XDJHFCHBSA-N 365.502 3.395 10 40 FGCB CN(C)c1ccc(/C=C(\Cl)c2nc3cc(C(=O)O)ccc3c(=O)[nH]2)cc1 7502930 KEUBAFAIKCPWOP-DHDCSXOGSA-N 369.808 3.424 10 40 FGCB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CCOCC2)cc1 113959626 SJDWEWAFZBXIGW-LJQANCHMSA-N 372.440 3.136 10 40 FGCB Cc1cccn2cc(CC(=O)NCc3ccc(N4CCCCC4)cc3)nc12 65522621 ACPKAOGVXRSGFL-UHFFFAOYSA-N 362.477 3.492 10 40 FGCB COc1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c(O)c1 12328196 NPYZEJNDHPATOV-UHFFFAOYSA-N 366.421 3.225 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCCC3=CCCCC3)C2=O)cc1C 101072174 RFWHKNDDAKMOOV-QGOAFFKASA-N 367.449 3.250 10 40 FGCB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(Cc4ccco4)c3C)C(=N)N2O1 5438858 KCEVOUFRIUHHQP-FJUUSQFESA-N 350.378 3.197 10 40 FGCB COc1cccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1O 9833795 NWCPLGAMKTUASC-UHFFFAOYSA-N 368.477 3.238 10 40 FGCB CC(C)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 408865985 CYRNJHMIKJCSQM-PTNGSMBKSA-N 368.364 3.279 10 40 FGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C)c2)cc1 224125240 APQGVOAZQXNOCW-UHFFFAOYSA-N 362.495 3.328 10 40 FGCB Cc1cc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)no1 4541410 LSFPDIUCEXPVBX-UHFFFAOYSA-N 353.378 3.186 10 40 FGCB Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCCO2 27900577 QAKIEWCOQPMSTG-KDOFPFPSSA-N 370.449 3.163 10 40 FGCB CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 408604177 UDEPARKHUQLEQV-LDADJPATSA-N 364.401 3.388 10 40 FGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 831357 PXSWFOGPJIACMA-RAXLEYEMSA-N 356.765 3.015 10 40 FGCB Cc1cccc(C)c1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 59305898 QJZHUNZQUWVKEK-UHFFFAOYSA-N 365.433 3.145 10 40 FGCB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1C(C)C 4815155 GMUGTRZBROWEEN-GZTJUZNOSA-N 357.454 3.480 10 40 FGCB CCOC(=O)c1ccc(OCc2noc3c(CN(C)C)c(O)ccc23)cc1 32501412 LFLDOZIRNZITHX-UHFFFAOYSA-N 370.405 3.351 10 40 FGCB biogenic O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccc(O)cc1 1240649 CBDWMOHTVDSCOP-NTEUORMPSA-N 374.418 3.078 10 40 FGCB Oc1c(O)c(Br)c(Br)c(Br)c1O 1747827 ARJKUIKBPQATMT-UHFFFAOYSA-N 362.799 3.091 10 40 FGCB Cc1cc(I)cc2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@H]21 4817419 QTTDZDKFEMOZEY-OPQQBVKSSA-N 355.175 3.138 10 40 FGCB CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(C)cc3)S2)C1 4550372 DBLRSAGQHQXUCY-DFSFMLJYSA-N 358.463 3.240 10 40 FGCB CCOc1ccccc1/C=C1\SC(=S)N(CC(=O)OC(C)C)C1=O 27563069 QCPFJHXEMIOUHF-ZROIWOOFSA-N 365.476 3.238 10 40 FGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1771637 PMSGPLROFRAQCY-LCFDYFRESA-N 371.480 3.233 10 40 FGCB CCOc1cc2c(cc1OCC)CN(Cc1cc3c(cc1O)OCO3)CC2 8185504 OLCPAVYBUFBABK-UHFFFAOYSA-N 371.433 3.477 10 40 FGCB O=C1N=C(Nc2ccc(O)c(C(=O)O)c2)S/C1=C\C=C\c1ccco1 54164427 MLSHVOIVQVEQEO-NQDFZQDQSA-N 356.359 3.322 10 40 FGCB O=S(=O)(Nc1ccccn1)c1ccc(/N=N\c2cccnc2O)cc1 104124291 KIJSBNNAQVSOOK-VXPUYCOJSA-N 355.379 3.398 10 40 FGCB COc1cccc(N2C(=O)/C(=C\C=C\c3ccco3)C(=O)N=C2S)c1 4460085 MKHHXEBLYKQVOL-RNEAAXAUSA-N 354.387 3.087 10 40 FGCB COCCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 409126004 DJDNXEKBJCPBFS-GDNBJRDFSA-N 373.386 3.328 10 40 FGCB CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(O)cc4)ccc1c23 5516113 XERRKDMAPFDLAF-UHFFFAOYSA-N 368.414 3.326 10 40 FGCB CC1=CC2=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=N)N2O1 20503955 MKSBXNJRVKVRIG-WJNHLLBISA-N 363.329 3.095 10 40 FGCB CN(C)C(=O)CSc1ncc(-c2ccc(Br)cc2)n1C 6973051 LIJNZLLUIKUZEF-UHFFFAOYSA-N 354.273 3.030 10 40 FGCB COc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC 408935673 DHTQOHBLOYPHGT-LFIBNONCSA-N 350.374 3.146 10 40 FGCB CCOC(=O)C1=CCCCC1=[S@]([O])(=O)Nc1ccc(F)cc1Cl 1560410707 GQJDOXKJUAWKHS-HSZRJFAPSA-N 360.814 3.282 10 40 FGCB O=C(O)c1cccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)c1 3353957 RGADPTDOEWIUCQ-RIYZIHGNSA-N 357.412 3.496 10 40 FGCB Cc1cc(O)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C 22941454 OFIWCLUXCNIVGN-UHFFFAOYSA-N 354.450 3.056 10 40 FGCB CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OC(C)=O 58865797 GYQQEYXMBVLMDT-UHFFFAOYSA-N 374.389 3.154 10 40 FGCB COc1ccc(N2CCN([S@@](=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 4624084 JGZCAKYMDCHQGL-GPXFITMTSA-N 374.550 3.450 10 40 FGCB CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N(C)C1=S 1085273 NNDRDLQMQIINNV-UHFFFAOYSA-N 360.822 3.199 10 40 FGCB COc1ccc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)c(OC)c1 1073996 CDIUWXWXDIKDDM-UHFFFAOYSA-N 354.358 3.060 10 40 FGCB COc1ccc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)cc1 20226903 ZNCUGCWBCQHPRR-GDNBJRDFSA-N 354.387 3.476 10 40 FGCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2C)C1=O 4676727 UPUYWWHLWCSICI-LFIBNONCSA-N 374.462 3.195 10 40 FGCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1 409018110 RFPCWKNQHHZSLM-MHWRWJLKSA-N 370.405 3.056 10 40 FGCB O=C(CN1CC[C@H](c2ccccc2)C1)NCc1ccc(N2CCCC2)cc1 69897243 YQMHSVMXHCEVOE-NRFANRHFSA-N 363.505 3.393 10 40 FGCB COc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1O 41082996 RVJGPNSRWHHFSK-GIZZYUGMSA-N 358.423 3.066 10 40 FGCB O=C1c2ccccc2C(=O)c2c1c(C(=O)NCc1ccco1)c1ccccn21 95480228 WRYWFOCPEMPDKT-UHFFFAOYSA-N 370.364 3.238 10 40 FGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2c(C)n(C)c3ccccc23)C1=O 59249776 HKGLEYSORBGRPN-ATVHPVEESA-N 373.412 3.462 10 40 FGCB COc1ccc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2ccc(N(C)C)cc2)cc1 102850676 SIAFABUZRKQTEN-PMACEKPBSA-N 351.450 3.271 10 40 FGCB NC(=O)[C@@H]1CCCCN1Cc1c(O)ccc2cc(Br)ccc12 14075678 MVAJTIJLBTWYGB-HNNXBMFYSA-N 363.255 3.148 10 40 FGCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 5394294 BXSVUZVOBPZZGJ-YBEGLDIGSA-N 365.389 3.426 10 40 FGCB CN(C)c1ccc([C@H]2Nn3c(COc4ccccc4)nnc3S2)cc1 3843185 NGFULNDDWYWNSV-KRWDZBQOSA-N 353.451 3.271 10 40 FGCB biogenic COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(OC)c1O 408793563 FTHUWTFWFZVMNL-VBKFSLOCSA-N 365.385 3.278 10 40 FGCB O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2ccc(Cl)cc2)cc1 409101224 SDHGSGWSRZXOBZ-UHFFFAOYSA-N 374.874 3.406 10 40 FGCB O=C([C@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1)N1CCCCC1 199431180 FHPZKBLURLDNSZ-LJQANCHMSA-N 366.461 3.037 10 40 FGCB Cn1c(/C=C2/C(=O)NC(=O)N=C2O)ccc1-c1ccc(Br)cc1 77099423 FQPXXUFRFYZRPN-UHFFFAOYSA-N 374.194 3.044 10 40 FGCB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C2=O 100190228 UXMAFAYQPNMMER-IAGOWNOFSA-N 369.339 3.488 10 40 FGCB CCc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 1185818 IMTODWJJUIJGGA-KAMYIIQDSA-N 354.406 3.219 10 40 FGCB CCc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 34888432 YMOMQACASFSFLF-YERBQUFUSA-N 361.430 3.311 10 40 FGCB CCOc1cc(/C=C2\C(=O)N(c3ccc(O)cc3)C(=O)N=C2O)ccc1O 38160984 SKTAGVOLVHXDAP-ZROIWOOFSA-N 368.345 3.003 10 40 FGCB O=C(CCSCc1ccccc1)NCc1ccc(N2CCOCC2)cc1 218995961 WBMAIWJXNCPIBF-UHFFFAOYSA-N 370.518 3.463 10 40 FGCB C[C@@H]1Cc2cc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)ccc2O1 5881057 QYMOUTRWFZLVKJ-WIWNTQSISA-N 354.793 3.125 10 40 FGCB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 13008147 BLOVLSRBXZPJRF-NRFANRHFSA-N 367.493 3.110 10 40 FGCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccn1 1217919 BEIYJBPHPLZIAA-OWBHPGMISA-N 369.471 3.312 10 40 FGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3C[C@H]3C)c2C)cc1 20833574 AZSHZANJQABXKG-SJKOYZFVSA-N 369.417 3.263 10 40 FGCB Cn1cccc1/C=C1/SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O 27229466 PRATVMXZUPWLSX-JWAFFJSPSA-N 358.444 3.052 10 40 FGCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc2c(c1)OCCO2 6189720 FNGUJXRBEDZQGO-OQLLNIDSSA-N 356.428 3.259 10 40 FGCB CC(=O)Nc1nc(C(=O)NCc2ccc(N3CCCCC3)cc2)cs1 69871992 KBIUVONIQODXKG-UHFFFAOYSA-N 358.467 3.022 10 40 FGCB COC(=O)COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1 100284259 FCDVOQUYVKWBNI-LDADJPATSA-N 350.374 3.045 10 40 FGCB COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1OC 13748820 SYSXSSAYZBCQMW-CJAAZZPWSA-N 365.476 3.084 10 40 FGCB Fc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c(F)c1 53535773 RHIHFFBVHKIZKJ-UHFFFAOYSA-N 363.433 3.288 10 40 FGCB C[C@H]1Cc2cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)ccc2O1 2347931 SLRHMOTXUQRWIT-CTTWFSSNSA-N 361.488 3.390 10 40 FGCB COc1ccc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)ccc2c1 6210123 CAPHKGWOFMJODY-AUWJEWJLSA-N 359.428 3.134 10 40 FGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ncccc1C 100423613 AVRNUOSMSCRWBS-JXAWBTAJSA-N 364.405 3.042 10 40 FGCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1C[C@@H]1c1ccccc1F 84502017 UFFRDMMYUMAJRG-SJORKVTESA-N 372.415 3.221 10 40 FGCB CCCOC(=O)CN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 27563038 IWTYPAMQJQXONT-RIYZIHGNSA-N 360.460 3.322 10 40 FGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccccc1O 95115680 LCFSGPWTOATKSF-CPNJWEJPSA-N 365.389 3.044 10 40 FGCB O=C(Nc1ccccc1)c1cnn2c(O)cc(Cc3ccc(F)cc3)nc12 19372995 QVEKYSNPQIINNX-UHFFFAOYSA-N 362.364 3.417 10 40 FGCB CCOC(=O)CCN1C(=O)/C(=C\c2cccc(OCC)c2)SC1=S 28048193 ADDGQYBOYFEMMS-SDNWHVSQSA-N 365.476 3.240 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cc(C)ccc3C)C2=O)c(C)c1 408535380 SMQPIQNVTWSPDM-LFIBNONCSA-N 363.417 3.499 10 40 FGCB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S 8205933 UIHHFGAFGCMKOT-NTUHNPAUSA-N 363.391 3.372 10 40 FGCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1 101469824 CAONCLBWLWFOEZ-WGLILOHCSA-N 355.785 3.289 10 40 FGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccc(O)cc1 103916926 DRAIOTCRBOPGDX-UYRXBGFRSA-N 353.397 3.360 10 40 FGCB COc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1OC 225559284 CBMBSPQOIUWUAP-UHFFFAOYSA-N 371.506 3.443 10 40 FGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(F)cccc1Cl 408847921 WWSIYDZJNDZLMZ-XYOKQWHBSA-N 362.719 3.285 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)CC2)cc1 5324248 FCUBGEAVUTUYIR-UHFFFAOYSA-N 353.397 3.278 10 40 FGCB CN(C)c1ccc(CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 32895695 LDBXJDBWJMERHT-UHFFFAOYSA-N 374.384 3.130 10 40 FGCB CN(C)C(=O)c1ccc(NC(=S)NCCCN(C)c2ccccc2)cc1 225749053 SACHJOCAEHWIKW-UHFFFAOYSA-N 370.522 3.201 10 40 FGCB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(F)cc3)C(=O)NC2=S)cc1C 101061398 LULOQOAHIIJKSX-YBEGLDIGSA-N 369.421 3.186 10 40 FGCB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccccc1 4824097 NIBGIMGUGKGCIU-LHQXNBGVSA-N 352.390 3.213 10 40 FGCB CCCCN1CCc2cc(/C=C3/C(=O)N(C4CC4)C(=S)N=C3O)ccc21 2389548 NPGXUZLXHNHLDZ-FOWTUZBSSA-N 369.490 3.479 10 40 FGCB FC(F)(F)COc1nc(/N=N/c2ccccc2)nc(N2CCOCC2)n1 4323155 IPBDQBAMIRPMPD-GHVJWSGMSA-N 368.319 3.065 10 40 FGCB COc1ccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl 96125642 PAVOOCXWCXSCIS-UHFFFAOYSA-N 373.884 3.030 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cccc(Cl)c3)CC2)cc1 3642787 MKUCQFQRFXXLIB-HNNXBMFYSA-N 374.868 3.465 10 40 FGCB COc1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 408961079 AAJPOVAUYKDVIM-GFJWLWTISA-N 366.348 3.057 10 40 FGCB CCOc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1O 409080732 MLBNJQCPFNUZFS-CJAAZZPWSA-N 365.476 3.171 10 40 FGCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 408722096 DJXQHZXCMXXKJC-NTEUORMPSA-N 372.833 3.180 10 40 FGCB CCOc1ccccc1NC(=S)NCc1ccc(N2CCOCC2)cc1 225419775 LJSUIXSOCQJEFN-UHFFFAOYSA-N 371.506 3.409 10 40 FGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(Cl)c2)C1=O 6479393 MDZJRJZGQIHSMV-XYOKQWHBSA-N 356.765 3.020 10 40 FGCB CC[C@@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 942764 NVOQDHCNIATUHH-MRXNPFEDSA-N 353.374 3.118 10 40 FGCB COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(Cl)c1O 977410 RSDIPGBKRLDOCU-UHFFFAOYSA-N 360.749 3.236 10 40 FGCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)c(Br)cc1O 409330729 MAAZYODXETXCOX-VZUCSPMQSA-N 374.281 3.384 10 40 FGCB CCC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 12553774 TVZSJRKZNKCUAS-UHFFFAOYSA-N 354.450 3.383 10 40 FGCB CCCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)n[nH]c1=O 6472727 IZCXDWVQFVUJOT-UHFFFAOYSA-N 370.478 3.364 10 40 FGCB CC1=CC2=NC(=O)/C(=C/c3ccc(OC(=O)c4ccccc4)cc3)C(=N)N2O1 41078400 LBGUVIDJDVZALA-KDAGATOZSA-N 373.368 3.356 10 40 FGCB CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1O 4646573 CDXMJJGNLOEUFU-CXUHLZMHSA-N 366.373 3.295 10 40 FGCB Oc1cc(C2CCN(Cc3ccccc3O)CC2)nc(-c2cccnc2)n1 72392740 WVYYYVKNISWLJY-UHFFFAOYSA-N 362.433 3.329 10 40 FGCB Cc1ccc(OCCCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 10113456 WKDSVYQHEMDGRB-UHFFFAOYSA-N 368.477 3.307 10 40 FGCB O=C(O)c1cccc(N/C=C2\C(=O)N(C3CCCCCC3)C(=O)N=C2O)c1 103117615 DYRYHPXJGULUBB-PTNGSMBKSA-N 371.393 3.322 10 40 FGCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCNc1ncccn1 604404078 BSJNUTRZAKTTTN-UHFFFAOYSA-N 368.396 3.115 10 40 FGCB biogenic CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)N=C1S 9009648 YYNOGOWBAKQERW-WJDWOHSUSA-N 353.447 3.152 10 40 FGCB COc1ccc(O)c([C@H](C)NC2CCN(C(=O)c3ccccc3F)CC2)c1 97113252 ULOXLYIKZQFKHV-AWEZNQCLSA-N 372.440 3.495 10 40 FGCB Cc1ccc(N2C(=O)/C(=C/c3ccn(C)c3)SC2=S)cc1C(=O)O 8550669 ROEQWOCKDRQQHL-AUWJEWJLSA-N 358.444 3.438 10 40 FGCB CNC(=O)C1CCN(CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 12640313 QQWRGXKQURYZNX-UHFFFAOYSA-N 367.493 3.043 10 40 FGCB Cc1ccc(C2=N/C(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)C(=O)O2)cc1 15216145 AUQKJGOLZXLXSR-GDNBJRDFSA-N 351.362 3.314 10 40 FGCB COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1OC 21670038 XUXCCKKJHPZNBH-UVTDQMKNSA-N 352.346 3.211 10 40 FGCB CCN1c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2[C@@H](C)CC1(C)C 113789274 YHMNTXRWQOSQOR-ZDUSSCGKSA-N 369.465 3.233 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3O)C2=O)cc1Cl 408986533 MROBURGEXCHMDW-JYRVWZFOSA-N 356.765 3.020 10 40 FGCB Cc1ccc(SCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 216927852 ZJVHBILKCACCOH-UHFFFAOYSA-N 369.534 3.155 10 40 FGCB Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)nc1 225839759 ZWOHABJTUSWQJD-OAHLLOKOSA-N 356.495 3.274 10 40 FGCB Cc1ccc(N2NC(=O)/C(=C/C=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1C 17282477 ZVPZZPNUJOTKPN-VDZUBFLMSA-N 363.373 3.229 10 40 FGCB C[C@@H](NC1=CC(=O)OC12CCCCC2)c1ccc(N2CCOCC2)cc1 12401873 SPXUXZDURYCUPG-MRXNPFEDSA-N 356.466 3.317 10 40 FGCB Cc1cc(N2CCCC2)c(C)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 34715467 VYPKKELQKRLTND-RGEXLXHISA-N 361.445 3.365 10 40 FGCB CCOc1c(Cl)cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)cc1OC 41078345 ZAAJYXQRMLQCQJ-NVMOYFHGSA-N 361.785 3.198 10 40 FGCB O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(ccc3nn(-c4ccccc4)nc23)N1 96117003 VCKVWQZSRUVVDV-AWEZNQCLSA-N 372.384 3.306 10 40 FGCB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 169681360 QKNFBKSBGSSLGK-QGZVFWFLSA-N 355.438 3.119 10 40 FGCB COc1ccc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)c(OC)c1 6952329 ZREPMPYOVNWGPZ-INIZCTEOSA-N 374.487 3.070 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1ccccc1Cl 7098313 NBSHXDYLVHFKJS-UHFFFAOYSA-N 360.841 3.221 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)NC(=O)CS2 12533988 LZILDQMGDQYBOI-UHFFFAOYSA-N 355.463 3.069 10 40 FGCB O=C(NN1C(=O)/C(=C\c2ccco2)SC1=S)c1ccc(F)c(F)c1 1454983 KFHNHFOIAGEOBY-KPKJPENVSA-N 366.370 3.104 10 40 FGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\C1=C(O)OC(C)(C)OC1=O 6815196 TZHKAFSNNJOUTP-ZROIWOOFSA-N 356.378 3.031 10 40 FGCB Cc1ncsc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 55531541 FXCLRFBRXXFFRC-TXEJJXNPSA-N 363.458 3.134 10 40 FGCB CN1C(=O)/C(=C\c2cc3cc4c(cc3nc2Cl)OCO4)SC1=S 13689313 MSWULKXEQCSQSF-UUILKARUSA-N 364.835 3.448 10 40 FGCB Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1-c1ccc(F)cc1 23244578 AKEWFFQJKPHTFO-UHFFFAOYSA-N 363.396 3.206 10 40 FGCB O=C1/C(=C\c2nc3ccccc3[nH]2)C(O)=NC(=S)N1c1ccc(F)cc1 6813987 QKGXBVLMXASWAU-XFXZXTDPSA-N 366.377 3.374 10 40 FGCB NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccccc1 44085450 IYRHPIIUDPGXEY-UHFFFAOYSA-N 368.418 3.084 10 40 FGCB CCCCN1C(=O)/C(=C\c2cc(OC)c(O)c(OC)c2)SC1=S 9188383 LUAOTAYVZYLHLD-UKTHLTGXSA-N 353.465 3.411 10 40 FGCB C=CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 107920257 XRPKUIINCTZFMG-PTNGSMBKSA-N 354.793 3.366 10 40 FGCB C[C@@H]1Sc2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2NC1=O 12544189 RDKDLEMYJPXJBU-ZDUSSCGKSA-N 369.490 3.458 10 40 FGCB O=S(=O)(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccc1 28248914 PUBHXKBCTZMEPI-UHFFFAOYSA-N 374.443 3.382 10 40 FGCB COc1cccc(/C=C2/SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)c1 33395840 MPDTWZMDASDWNU-RPHSKFLZSA-N 351.449 3.006 10 40 FGCB COCCn1c(C)cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c1C 2314450 NCOARQBZBTXEMN-SFQUDFHCSA-N 373.453 3.386 10 40 FGCB COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3)c2C)C1=O 205774543 CTSCTQPQRUSPDG-MHWRWJLKSA-N 370.430 3.303 10 40 FGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3nccs3)cc2)SC1=S 4745911 YSWFNTZBTSRDHM-DHZHZOJOSA-N 361.473 3.226 10 40 FGCB O=C1N=C(O)/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 1192621 OMIIVUNBBSGRFP-YRNVUSSQSA-N 361.697 3.348 10 40 FGCB CCCCOc1ccccc1/C=C1\SC(N2CCN(C)CC2)=NC1=O 13769281 MLNRSMOTWGWMRB-VKAVYKQESA-N 359.495 3.083 10 40 FGCB CCN1c2cc(C)c(C=C3C(=O)NC(=S)NC3=O)cc2[C@@H](C)CC1(C)C 113790397 QETJZRJBECSJBK-LBPRGKRZSA-N 371.506 3.021 10 40 FGCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)S1 408754660 OHBBVNGZPJFXBO-WJDWOHSUSA-N 366.398 3.012 10 40 FGCB CCOc1cc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)ccc1O 977360 GNUZJRYDHSNJPQ-UHFFFAOYSA-N 354.358 3.147 10 40 FGCB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCCC1 5370853 AXNBETOIIMKPEF-RKQKHZQPSA-N 372.515 3.457 10 40 FGCB O=S(=O)(Nc1ccc(NS(=O)(=O)C2CCCC2)cc1)C1CCCC1 19075063 NMOTYEPHSZXLDU-UHFFFAOYSA-N 372.512 3.055 10 40 FGCB CN(C)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)NC2=O)cc1 5809877 OUSPBXFOXDLHQU-LFIBNONCSA-N 370.250 3.433 10 40 FGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCn1ccnc1 53510577 BIXTYMMBYPZTMS-UHFFFAOYSA-N 355.486 3.105 10 40 FGCB CN1C(=O)C(=Cc2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N(C)C1=O 5047082 AXSSWMOFLFIXNN-UHFFFAOYSA-N 359.385 3.269 10 40 FGCB CCOc1ccccc1N1C=C(C(=O)OC)S(=O)(=O)c2ccccc21 64979144 UZXQSTQSQMWEPJ-UHFFFAOYSA-N 359.403 3.025 10 40 FGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(CC)c2C)C1=O 409072854 DYPFNFMNOIWTBM-SFQUDFHCSA-N 365.433 3.354 10 40 FGCB Cc1ccc2cccc(OC(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)c2n1 6719083 XBZNJZUHBRAWLG-LEWJYISDSA-N 351.402 3.413 10 40 FGCB Cc1ccc(N(C)CCNC(=S)Nc2ccc3c(c2)OCCO3)cc1 225795825 ZHZIKWCZXOCTQL-UHFFFAOYSA-N 357.479 3.189 10 40 FGCB CCCCN1C(=O)/C(=C\c2cn(CCC)c3ccccc23)C(=O)NC1=S 5834602 PQBDGEPTSXZOCN-VBKFSLOCSA-N 369.490 3.478 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3)CC2)cc1 7504521 BUCDNEYSNMGCNT-OAHLLOKOSA-N 374.868 3.465 10 40 FGCB COc1ccc(N2CCN(C(=S)c3ccc(N(C)C)cc3)CC2)cc1 9188036 RAJHTIUMCRVRGX-UHFFFAOYSA-N 355.507 3.259 10 40 FGCB O=C(CCCc1ccccc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 58209713 ICMUVXDYLHBEMX-UHFFFAOYSA-N 370.468 3.426 10 40 FGCB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccccc1 2283070 AFTBRTIJSLPYAY-AQHRCUNFSA-N 350.349 3.044 10 40 FGCB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 20108235 FVNVBBXTBSXTJI-OAHLLOKOSA-N 374.868 3.260 10 40 FGCB CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccccc2F)cc1 170665366 WCTQGZFZWODLCI-UHFFFAOYSA-N 350.459 3.292 10 40 FGCB COc1ccc(N2CCCCC2)cc1C(=O)N[C@H](C)c1cn(C)nc1C 19663898 LIFVXSSUTSDSJG-CQSZACIVSA-N 356.470 3.218 10 40 FGCB Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)N1CCCCC1)OCO2 5344584 HABRLAIPVWNRBF-HXUWFJFHSA-N 355.390 3.425 10 40 FGCB CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1N1CCN(C)CC1 3179438 QJJIXHAEPDXQFV-UHFFFAOYSA-N 367.542 3.395 10 40 FGCB CN(C)c1ccc(CNC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 8172441 JWVQLVKCFRSOGY-UHFFFAOYSA-N 368.412 3.191 10 40 FGCB CC[C@H](C)n1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 4124045 NEWCPHGKZOFAKH-LBPRGKRZSA-N 355.463 3.211 10 40 FGCB CCOc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 13670111 AIXYYPADVUYVQI-UHFFFAOYSA-N 360.479 3.164 10 40 FGCB CN1C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N(C)C1=O 4797619 VLNKFANNJDIHFV-UHFFFAOYSA-N 373.412 3.123 10 40 FGCB biogenic CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C(\C)NCc1cccs1 18254541 MAPMLVJXIFENID-LFIBNONCSA-N 351.435 3.411 10 40 FGCB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cn1 36635233 LBCYVMPEAMTAQI-LBPRGKRZSA-N 361.810 3.332 10 40 FGCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)c1 408996081 NZKLOJDKDSWREJ-DHDCSXOGSA-N 372.471 3.370 10 40 FGCB CCCOC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 4076854 ZBJVRNLZXKZJCN-UXEDPAHQSA-N 365.476 3.238 10 40 FGCB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 13676351 KVKRFSSHHDEHHW-OAHLLOKOSA-N 374.868 3.260 10 40 FGCB O=C(NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccccc1 15008494 MADLWADDXPOECX-GXDHUFHOSA-N 358.419 3.372 10 40 FGCB CCN(CC)c1ccc(CN(C)C(=O)c2cnn3c(C)cc(C)nc23)cc1 31892959 PIWKCSCRWVJEAW-UHFFFAOYSA-N 365.481 3.465 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl 9164734 PXENVVPIVFUIOI-NTUHNPAUSA-N 374.755 3.154 10 40 FGCB S=C(NCCCN1CCc2ccccc21)Nc1ccc2c(c1)OCCO2 84582045 OFKAFZYQMNENBA-UHFFFAOYSA-N 369.490 3.197 10 40 FGCB CN(CCNC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 225572279 XZBSOSJZVIIRQF-UHFFFAOYSA-N 368.506 3.236 10 40 FGCB COc1ccccc1NC[C@H](O)COc1ccc2c(C)c(C)c(=O)oc2c1 20720359 LPYCGEZAVJDNLE-HNNXBMFYSA-N 369.417 3.270 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(F)c3)C2=O)cc1Cl 408987481 OWBOOPNZUSCNGF-ZSOIEALJSA-N 358.756 3.454 10 40 FGCB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 20459640 XUTCHYMIIVRTNG-QGZVFWFLSA-N 368.477 3.169 10 40 FGCB C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(N2CCOCC2)cc1 65619716 KRHBBJKZKLMXHS-CYBMUJFWSA-N 360.841 3.373 10 40 FGCB CN(C)/N=N\c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1 17427636 FLTUKZXDNDUEPV-AFQFZPALSA-N 356.430 3.453 10 40 FGCB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 4193751 ZMORVSDYURMJKE-GDNBJRDFSA-N 355.444 3.446 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCCn1c(=O)oc2ccccc21 57637560 PQZSKIFIHCMWEI-UHFFFAOYSA-N 367.449 3.099 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3F)C2=O)cc1Cl 108247201 JHXSUBRNAJEGAF-JYRVWZFOSA-N 358.756 3.454 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(=O)C2CC2)cc1 12633442 RXLUFCWHYNJOAT-UHFFFAOYSA-N 351.450 3.373 10 40 FGCB Oc1ccc(C2=Nn3c(nnc3-c3cccc(Cl)c3)SC2)cc1O 5093375 LDBNEOKPVJNYSF-UHFFFAOYSA-N 358.810 3.368 10 40 FGCB CN1CC[C@@]23Oc4ccccc4[C@@H](N(C)[C@H](c4ccccc4O)[C@H]2C1)N3C 1889092497 WATXURHNNPDFGA-HLRQEUIKSA-N 365.477 3.050 10 40 FGCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O 1202156 VOWCKUCZBZRUBC-SFQUDFHCSA-N 364.401 3.485 10 40 FGCB CC1=NN(C(=O)c2ccc(C)cc2)C(=O)[C@@H]1/N=N\c1ccccc1C(=O)O 104280383 AUHYMQXXPORJMG-MODMUFLJSA-N 364.361 3.204 10 40 FGCB CS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1 40477104 BVPUNRYREZHSDQ-UHFFFAOYSA-N 356.241 3.170 10 40 FGCB CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 16102308 BIEOQFVSIMNLLE-WJDWOHSUSA-N 369.808 3.072 10 40 FGCB COc1cccc(CN2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1O 785861 SHTFSFITJMXUCI-UHFFFAOYSA-N 368.477 3.271 10 40 FGCB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccccc1O 1240669 SUQQCNZYXGCABD-ZROIWOOFSA-N 374.418 3.078 10 40 FGCB CCCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCC2 3634122 JMNMDKNQWLSFEX-UHFFFAOYSA-N 353.440 3.387 10 40 FGCB CCOC(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 1476491 HJNCLODPMLEQDC-KAMYIIQDSA-N 365.476 3.240 10 40 FGCB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/C=C/c1ccco1 2281788 XMSZAKLFIFFPTD-PVZXKMMOSA-N 356.447 3.353 10 40 FGCB O=C1/C(=C\c2cc([N+](=O)[O-])ccc2O)SC(=S)N1Cc1ccco1 13756645 WEEITMDTXSXAGR-NTUHNPAUSA-N 362.388 3.295 10 40 FGCB COc1ccc(N2CCN(c3c(N)cnc4ccccc34)CC2)c(OC)c1 1699193 WKAQOHVOXNJWDY-UHFFFAOYSA-N 364.449 3.161 10 40 FGCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]cn1 100423172 WATJXLUEAXWJSH-AQTBWJFISA-N 355.417 3.158 10 40 FGCB O=C1/C(=C\N2CCCc3ccccc32)SC(=S)N1C[C@@H]1CCCO1 30819327 MKYSJLQCSVHUDY-AOHITCTBSA-N 360.504 3.320 10 40 FGCB CCOC(=O)[C@H]1CCCN(c2cccc3c2C(=O)c2ccccc2C3=O)C1 4167856 IGBFUVCLSYEORF-AWEZNQCLSA-N 363.413 3.242 10 40 FGCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccncc2)SC1=S 1271113 YURKUQBFLHYZLE-ZVHGMHCTSA-N 356.428 3.109 10 40 FGCB COC(=O)c1sc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1O 20677090 VTLIGLBUDQWNON-UHFFFAOYSA-N 370.430 3.292 10 40 FGCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1O 1013933 WHOZEUDSRKOBDA-UXBLZVDNSA-N 374.281 3.384 10 40 FGCB COCC(=O)OCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 3291763 TWSNXQLARQKVKN-UHFFFAOYSA-N 367.348 3.068 10 40 FGCB CCOc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1O 41082986 FKPPWUPIYWTYIN-JDNHBDJVSA-N 372.450 3.456 10 40 FGCB CN(C)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)NC2=O)cc1 3173718 ABMXCSNRCQOXLG-DHDCSXOGSA-N 370.796 3.232 10 40 FGCB Cc1cc(C)cc(N2C(=O)/C(=C\C=C\c3ccco3)C(=O)NC2=S)c1 15013147 UPOKWSHLLYMEKT-JLJGJNDSSA-N 352.415 3.284 10 40 FGCB CCc1nnc(S/C(=C/c2ccc(N3CCCC3)c(C)c2)C(=O)O)[nH]1 7342619 YTEZPEWLZGQERW-RVDMUPIBSA-N 358.467 3.494 10 40 FGCB Cc1ccc2nc(CNC(=O)NCc3ccc4c(c3)CCCN4C)cn2c1 60592262 GYEXUSPUDURHNO-UHFFFAOYSA-N 363.465 3.025 10 40 FGCB Cc1cc(C(=O)[C@H](C)OC(=O)C2=COCCO2)c(C)n1-c1ccccc1 7655503 MIKVBJKNJBVZAH-HNNXBMFYSA-N 355.390 3.097 10 40 FGCB CN(C)c1ccc([C@H]2[C@@H]3C(=O)N=C(O)[C@H]3ON2c2ccc(Cl)cc2)cc1 18142299 YVOKYPBRVIHUFV-ULQDDVLXSA-N 371.824 3.380 10 40 FGCB COc1ccc(CCN2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 5371628 HWNVLGHVNXXYCQ-FOWTUZBSSA-N 358.488 3.478 10 40 FGCB CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccccc2O)NC(=S)N1 828856 SZHPRCPKHGNWQW-QGZVFWFLSA-N 353.447 3.132 10 40 FGCB CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(CC(=O)O)C1=O 6963807 XDGIZZLYEJCGSK-IZZDOVSWSA-N 357.840 3.025 10 40 FGCB COCC[C@H](C)NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 60345407 PIZRBMQTXSKONP-ZDUSSCGKSA-N 358.438 3.020 10 40 FGCB CCc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc1 8769070 MYZNEZJSXUKWQD-UKTHLTGXSA-N 355.306 3.257 10 40 FGCB O=C(NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)c1ccco1 33340387 HQQFAKOQLHGQBF-NDUUIVGLSA-N 356.428 3.382 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)Cc1c(O)ccc2ccncc12 12561932 PLGKXTWBKUWEQE-UHFFFAOYSA-N 363.461 3.409 10 40 FGCB COC(=O)C1=CN(c2ccc(F)cc2C)c2cc(F)ccc2S1(=O)=O 64979208 JAEIIQUEJGXEBH-UHFFFAOYSA-N 365.357 3.213 10 40 FGCB CCCN(Cc1ccccc1O)C(=O)Nc1cnn(-c2ccncc2)c1 78974937 NWXVEDDUTYEWSK-UHFFFAOYSA-N 351.410 3.417 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1C 408774110 AUACMIKHQAIWPT-LDADJPATSA-N 363.417 3.036 10 40 FGCB COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1NC(C)=O 32826161 WBPFEKOVNZPHAY-UHFFFAOYSA-N 356.426 3.041 10 40 FGCB CC1=C(C(=O)O[C@@H](C)C(C)(C)C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 715193 FRQCSLRBAMASTQ-GUYCJALGSA-N 359.470 3.358 10 40 FGCB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CCOCC2)cc1 113959624 SJDWEWAFZBXIGW-IBGZPJMESA-N 372.440 3.136 10 40 FGCB O=C1NC(=S)S/C1=C/c1cc(Br)cc(Cl)c1O 3027605 UCJRZERBHWQWEO-FARCUNLSSA-N 350.646 3.297 10 40 FGCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\NC(=O)N=C3O)c2C)c1C 27552223 USWWGAVITKLWJP-DHDCSXOGSA-N 353.378 3.210 10 40 FGCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O 409134147 MYJQMRHICPSAOI-RVDMUPIBSA-N 366.442 3.143 10 40 FGCB COc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c(-n2c(C)ccc2C)c1 408709053 WTNUDBNRCQSHOK-MRXNPFEDSA-N 369.465 3.298 10 40 FGCB O=C(NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)c1cccnc1 33340358 BCGUZLLGRGVCAW-VVGDYKIKSA-N 367.455 3.184 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(F)cccc3Cl)C2=O)cc1 408780606 GBCXPVYIXXSBLS-UKTHLTGXSA-N 358.756 3.454 10 40 FGCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)cc3)S2)c(OC)c1 35042468 PHXJGLVEJWXNSU-CXUHLZMHSA-N 356.403 3.492 10 40 FGCB CCOCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 106127400 JOLAIUABZUVAPE-VBKFSLOCSA-N 358.467 3.309 10 40 FGCB CCOc1c(Br)cc(/C=C2/SC(=S)NC2=O)cc1OC 12357594 DWGIHJSRNLEFOQ-UXBLZVDNSA-N 374.281 3.345 10 40 FGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(O)c(Br)c1 4501823 ZKDNFKFIVYJCDZ-UHFFFAOYSA-N 367.195 3.299 10 40 FGCB CN(C)c1ccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 24378556 HTUISHXFQPSCMR-UHFFFAOYSA-N 356.426 3.169 10 40 FGCB CCCCCC1=NN2C(=N)/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)N=C2S1 4545595 LJJAFFGTIHDVLK-YDXUAOLHSA-N 361.383 3.387 10 40 FGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cl)C2=O)cc1 408739925 GSFXGTGWROHHBW-RVDMUPIBSA-N 370.792 3.405 10 40 FGCB CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1cccc(OC)c1O 19527139 QQCVBXXKNLFWMZ-LJQANCHMSA-N 355.482 3.282 10 40 FGCB CCOc1ccccc1N1C[C@](O)(c2ccccc2)[N+]2=C1SCCC2 1468143 FHHWDDLRKNSFJT-FQEVSTJZSA-N 355.483 3.256 10 40 FGCB C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 12276976 ABARDPINZXVMIK-IOSSYPJHSA-N 357.425 3.458 10 40 FGCB Cc1cc2c(cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)[C@H](C)CC(C)(C)N2C 113777393 DNFGNIBAFUEIQO-CYBMUJFWSA-N 369.465 3.151 10 40 FGCB Cc1ccc2cc(/C=C3\SC(S)=NC3=O)c(N3CCOCC3)nc2c1 1302262 OMEKRNPATOOAFY-GDNBJRDFSA-N 371.487 3.280 10 40 FGCB CCOC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(C(=O)OC)cc1 100249937 AXRQMMZBTIGCSZ-LGMDPLHJSA-N 365.389 3.166 10 40 FGCB CCCCN(C)C(=O)/C(=C\c1ccc(N(C)C)cc1)n1ccccc1=O 9635639 FHBVKFRRUHYQGC-KNTRCKAVSA-N 353.466 3.171 10 40 FGCB Cc1nc([C@H]2CCN(Cc3cc(F)c(N4CCCC4)cc3C)C2)cc(=O)[nH]1 19567047 WRTYTPLZZHEDOP-INIZCTEOSA-N 370.472 3.116 10 40 FGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100988542 SWUNBHFXWVDCPI-OAHLLOKOSA-N 372.362 3.386 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cnnc2)cc1 101152942 HTGRYRRTVGTDGT-HKWRFOASSA-N 372.432 3.435 10 40 FGCB Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=O)N=C2O)o1 1051348 CDAUHYBICPTJAY-UHFFFAOYSA-N 355.306 3.061 10 40 FGCB COc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc([N+](=O)[O-])c1O 28911983 NFEPTXYFVMKGQJ-ZROIWOOFSA-N 371.374 3.391 10 40 FGCB CCCCn1c(O)nc2nc3cc(-n4c(C)ccc4C)ccc3nc2c1=O 13844655 QYYOMUMOJZVPTR-UHFFFAOYSA-N 363.421 3.253 10 40 FGCB Cn1cc(/C=C2\SC(NCCCn3ccnc3)=NC2=O)c2ccccc21 3767910 LJAROXPJROGBHS-BOPFTXTBSA-N 365.462 3.025 10 40 FGCB CCCCCCOc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O 408537601 GEONKVXCMSITBZ-UHFFFAOYSA-N 366.870 3.213 10 40 FGCB CN(C)c1ccc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)cc1 8974431 SDZGFBYJQDRCTJ-KAMYIIQDSA-N 353.353 3.398 10 40 FGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(O)ccc2ccccc12 408890795 ZJSPQUIYKYDQCB-SFQUDFHCSA-N 358.353 3.212 10 40 FGCB CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O 4676098 YRQBQOZBTIWTIG-BOPFTXTBSA-N 365.433 3.193 10 40 FGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1Cl 9234591 CAWFJIHZYQHIAS-WDZFZDKYSA-N 357.840 3.025 10 40 FGCB C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCO[C@H](c2ccccc2F)C1 96012380 YIUAUZMMLHXLNK-YJYMSZOUSA-N 359.397 3.016 10 40 FGCB Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3F)C2=O)o1 12625433 HFPWOYUBUIBWLZ-JYRVWZFOSA-N 362.407 3.273 10 40 FGCB COc1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1OC 54035545 WEOAVEFAKGOGBH-UHFFFAOYSA-N 372.490 3.187 10 40 FGCB CCN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N(CC)C1=S 5557289 DHUBGXIMPPUVPQ-UHFFFAOYSA-N 372.277 3.285 10 40 FGCB CCOc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(OCC)cc1C 1775967683 KKEIYCOMVIEFFC-UHFFFAOYSA-N 351.424 3.299 10 40 FGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc(Br)ccc1O 5943797 MGTRAFIGWKJDSE-UHFFFAOYSA-N 367.195 3.299 10 40 FGCB Oc1c([C@@H](c2cccnc2)N2CCOCC2)cc(Cl)c2cccnc12 21486921 DPGWYHGKOSNJBH-GOSISDBHSA-N 355.825 3.410 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@]34CC[C@](C)(C(=O)C3)C4(C)C)CC2)cc1 727913 OEMWHHCDKIGSNN-YADHBBJMSA-N 370.493 3.129 10 40 FGCB COc1ccc(N2CCN(C(=O)CSCc3ccc(F)cc3)CC2)cc1 20050619 XHOGVEDKIJAKEL-UHFFFAOYSA-N 374.481 3.416 10 40 FGCB Cc1cc(C(=O)OCn2nnc3ccccc3c2=O)c(C)n1-c1ccccc1 3257463 JBYVOOOSRVVILU-UHFFFAOYSA-N 374.400 3.014 10 40 FGCB COc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 13670612 XEZPGZWQFMVPKR-MRXNPFEDSA-N 354.450 3.379 10 40 FGCB COc1ccc([C@@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCS3)c(F)c1 4086733 SZUDVUDIFWVKFO-FQEVSTJZSA-N 373.473 3.313 10 40 FGCB O=C(O)CCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=S 2406225 KTKYSRXRISIZRF-QABOREQESA-N 353.852 3.485 10 40 FGCB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3N=CSC3=NC2=O)cc1 41076638 MDHUUZZJMYMORV-PFHNUVSISA-N 365.418 3.125 10 40 FGCB CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)O)cc2C1=O 2154393 QTYXJIHBTOAREV-UHFFFAOYSA-N 366.373 3.033 10 40 FGCB CC(C)(C)n1cccc1/C=C1/C(=O)N=C(O)N(c2cccc(F)c2)C1=O 36511658 BEEUZQUPGZRLNF-PTNGSMBKSA-N 355.369 3.253 10 40 FGCB CCn1c(-c2ccc(C)cc2)cnc1SCc1nc(N)nc(N(C)C)n1 9367153 MNEQCWZQLMYZRS-UHFFFAOYSA-N 369.498 3.004 10 40 FGCB O=C(O)c1ccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1 7166684 YHQGKKZNBAMSGL-NTEUORMPSA-N 357.412 3.496 10 40 FGCB [N-]=[N+]=NC[C@H]1OC[C@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 6006538 IXUXOCVYBHXBOU-YRPNKDGESA-N 369.421 3.227 10 40 FGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ncccc1C 112114568 ZYZYTRAKACDHSD-VBKFSLOCSA-N 351.366 3.407 10 40 FGCB COCCCN1C(=O)/C(=C/c2ccc(SC)cc2)C(C(=O)OC)=C1C 4860443 JXZOKRTUNKMZIL-FOWTUZBSSA-N 361.463 3.118 10 40 FGCB CC(C)COc1ccccc1/C=C1\SC(=S)N(CC(=O)O)C1=O 408600532 CPVPHLMGJVUMCR-QPEQYQDCSA-N 351.449 3.007 10 40 FGCB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 193779008 NSFZHMHURBCOID-UHFFFAOYSA-N 353.466 3.405 10 40 FGCB CN1CCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3)cc2)CC1 225311254 CQHBXEWBYZCRMU-UHFFFAOYSA-N 371.912 3.341 10 40 FGCB Cc1oc2c(CNCCO)c(O)ccc2c(=O)c1-c1ccc(Cl)cc1 57312252 ZUHFXZBIRXUFPK-UHFFFAOYSA-N 359.809 3.209 10 40 FGCB O=C(O)[C@H]1CS[C@H](c2ccccc2O)N1Cc1cc(Cl)ccc1O 23187622 TWADQDKHELMUTE-CZUORRHYSA-N 365.838 3.452 10 40 FGCB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CCOCC2)cc1 113953756 BUMBMYAKQZHGGL-HXUWFJFHSA-N 368.477 3.305 10 40 FGCB COc1ccc(N2CCN(C(=O)/C=C/c3ccccc3OC)CC2)cc1 8028948 HXMXWBRIUSPUQV-KPKJPENVSA-N 352.434 3.066 10 40 FGCB NS(=O)(=O)c1ccc(/N=N\c2c(O)c(C(=O)O)cc3ccccc23)cc1 13123441 NBQJKNSAKITVLO-VXPUYCOJSA-N 371.374 3.306 10 40 FGCB in-vitro C[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 6007847 RHSYBTCGCHMKMY-VSUWBIFXSA-N 372.265 3.123 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(NC(=O)C2CC2)s1 10432933 YSHOLAXEOAQDKW-UHFFFAOYSA-N 357.479 3.435 10 40 FGCB COc1ccccc1C(=O)COC(=O)c1sc2nc(C)ccc2c1N 13575152 UTQYGBPNHLEJAL-UHFFFAOYSA-N 356.403 3.235 10 40 FGCB CCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)OC)C2=O)cc1 27563094 JWYLPGHJLXMRCW-HKLRHMNMSA-N 365.476 3.238 10 40 FGCB CN1CCN([C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)CC1 21673422 ZYJAQXOCWRKZDU-LJQANCHMSA-N 368.868 3.326 10 40 FGCB COc1ccc(N2CCCN(C(=O)N[C@@H]3COc4ccccc43)CC2)cc1 58576802 CREOHZVABGYWKP-LJQANCHMSA-N 367.449 3.051 10 40 FGCB Cc1cc(C(=O)CSc2n[nH]c(=O)n2C2CC2)c(C)n1-c1ccccc1 2661711 BJPIPMNTRMEMAM-UHFFFAOYSA-N 368.462 3.289 10 40 FGCB Cc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)o1 20289485 OPUKQFOXRYRKHM-QGOAFFKASA-N 367.474 3.376 10 40 FGCB Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 12517574 OGNULJJLZKBNGZ-UHFFFAOYSA-N 363.483 3.102 10 40 FGCB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 7146510 SYYHUOTXSQCZLX-UHFFFAOYSA-N 358.507 3.452 10 40 FGCB Cc1cccc(-n2c(C)cc(/C=C/c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)c2C)c1 8997461 UISVCODYAGXBCI-BQYQJAHWSA-N 366.377 3.270 10 40 FGCB C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCO[C@@H](c2ccccc2F)C1 96012381 YIUAUZMMLHXLNK-ORAYPTAESA-N 359.397 3.016 10 40 FGCB COC(=O)c1ccc(/C=C2\SC(Nc3ccccc3O)=NC2=O)cc1 5214623 QJEAFRDQESCMFD-GDNBJRDFSA-N 354.387 3.261 10 40 FGCB CCN1C(=O)N/C(=C/c2ccc(N(CC)CC)c(Br)c2)C1=O 409241299 QXMGGTMLGDCCSX-JLHYYAGUSA-N 366.259 3.208 10 40 FGCB COC(=O)c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1 409194434 LHRYTIJOXKUGLE-XNTDXEJSSA-N 372.471 3.429 10 40 FGCB COc1ccccc1NC1=NC(=O)/C(=C\c2ccc(C(=O)O)cc2)S1 16906095 OGIKXCGNVMMJHN-XNTDXEJSSA-N 354.387 3.476 10 40 FGCB COc1ccc(N2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)cc1 8178416 YZRAVUCTCGIDQO-UHFFFAOYSA-N 355.394 3.133 10 40 FGCB O=S(=O)(Nc1ccccn1)c1ccc(/N=N\c2ccc(O)nc2O)cc1 104123669 QKIIJMCRQXHKJH-VXPUYCOJSA-N 371.378 3.104 10 40 FGCB Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccccc1F 3859182 RKVVVWNJPZJVIU-HOMCDIFHSA-N 367.409 3.482 10 40 FGCB CCCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S 4482696 AQNQQWSEIXTMFG-UKTHLTGXSA-N 351.449 3.486 10 40 FGCB COc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)c(OC)c1 5347112 SZXVUKKDLAGKDB-UHFFFAOYSA-N 353.374 3.475 10 40 FGCB Cc1ccc(N2C(=O)N=C(O)/C(=C/NNc3ccccc3)C2=O)cc1C 9358009 VXUOAQAHVIYFSJ-WJDWOHSUSA-N 350.378 3.227 10 40 FGCB COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccccc3O)C2)o1 49170046 LAQKSCCPEFKASB-HNNXBMFYSA-N 351.406 3.440 10 40 FGCB biogenic,in-vitro Fc1cccc(F)c1NC(=S)NCc1ccc(N2CCOCC2)cc1 225420706 GWPBNXRTJZRNOB-UHFFFAOYSA-N 363.433 3.288 10 40 FGCB COc1ccc(N2CCN(C(=O)COc3c(C)cccc3C)CC2)cc1 6044805 IVRPFCQKQCXIAF-UHFFFAOYSA-N 354.450 3.040 10 40 FGCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2)C1=O 6311490 RBUXDOYXSITDHQ-RVDMUPIBSA-N 362.451 3.132 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CCC2 9614174 YEEZDGZFYLZYBR-UHFFFAOYSA-N 356.491 3.346 10 40 FGCB COc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(C)cc3)nn2)cc1 216766418 MUTZYSLKVPHHOK-FQEVSTJZSA-N 350.422 3.179 10 40 FGCB CC(C)OC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 1276527 VNGGEPLAVJOLRQ-GHXNOFRVSA-N 355.868 3.493 10 40 FGCB O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccccc2)SC1=S 970655 KZQWLRRUHLEBRD-PTNGSMBKSA-N 354.456 3.162 10 40 FGCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)c1 408781214 BJTSSADCZLRXKM-LICLKQGHSA-N 367.474 3.090 10 40 FGCB COc1ccc(NC(=O)C[C@@H]2SC(=O)N(c3ccccc3)C2=O)cc1 4714309 CZNNGLDYZKFSBL-HNNXBMFYSA-N 356.403 3.292 10 40 FGCB COc1ccc([C@H](NC(C)=O)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1 4684851 GISQJPACQMPEBB-KRWDZBQOSA-N 367.361 3.083 10 40 FGCB COc1ccc(N2CCN(C(=O)c3ccccc3OC(C)C)CC2)cc1 219733068 KLGZEBKZEAOLLK-UHFFFAOYSA-N 354.450 3.445 10 40 FGCB COc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3C)nn2)cc1 216766198 QAMYQJIVSOAWKD-FQEVSTJZSA-N 350.422 3.179 10 40 FGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nccs1 4745402 OQJVHFQSTYBJHB-RMKNXTFCSA-N 367.502 3.045 10 40 FGCB COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)c(OC)c1OC 96288934 LFCILYROOKGJBZ-SDNWHVSQSA-N 362.451 3.169 10 40 FGCB CCOc1ccccc1N1C[C@@](O)(c2ccccc2)[N+]2=C1SCCC2 1468142 FHHWDDLRKNSFJT-HXUWFJFHSA-N 355.483 3.256 10 40 FGCB O=C1N=C(Nc2ccc(C(=O)O)c(O)c2)S/C1=C\C=C\c1ccco1 20227139 BHJZTMRIMRNERS-NQDFZQDQSA-N 356.359 3.322 10 40 FGCB CCCCCCN1C(=O)/C(=C\c2nc3ccccc3[nH]2)C(=O)N=C1S 6782987 IAHSJSYIQARQNP-QXMHVHEDSA-N 356.451 3.181 10 40 FGCB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccccc1O 5478356 RQEWMXYMYOWHQB-OXTPFRESSA-N 372.427 3.088 10 40 FGCB CN(C)C(=O)N[C@@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 4684883 VTVQJSLLZFZDJG-INIZCTEOSA-N 366.377 3.209 10 40 FGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc4ccccc4[nH]3)C2=O)c1 4853850 ALKZYWZUYXVGDP-GZTJUZNOSA-N 359.385 3.451 10 40 FGCB biogenic CC(C)(C)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 108013523 QAYLPUQDBKDJLP-LFIBNONCSA-N 352.390 3.239 10 40 FGCB COc1ccc(N2CCN(C(=O)CSc3ccccc3C)CC2)cc1 5094410 KLLHMLXOSMKNAY-UHFFFAOYSA-N 356.491 3.445 10 40 FGCB COC(=O)C1=CN(c2cccc(Cl)c2)c2cc(F)ccc2S1(=O)=O 64979204 DIWFOHBJWIHBQO-UHFFFAOYSA-N 367.785 3.419 10 40 FGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 408797048 FNWJVEPIAMKOIH-SDNWHVSQSA-N 370.792 3.405 10 40 FGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 409244203 ZJDYBPJBTLPREA-LDADJPATSA-N 353.422 3.405 10 40 FGCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408810831 QBIKWEJGLIQPQB-JLHYYAGUSA-N 370.792 3.323 10 40 FGCB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 113959202 GUJBHUPVOCGJIO-OAQYLSRUSA-N 368.477 3.305 10 40 FGCB CCCCNC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 4745600 HAUKEWOHRINGCS-ACCUITESSA-N 352.481 3.177 10 40 FGCB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1C(=O)c1ccccc1 408822627 PPJUHDFNTLONSV-OQLLNIDSSA-N 369.423 3.457 10 40 FGCB Cc1cc(C(=O)CSc2nnc(C3CC3)n2N)c(C)n1-c1ccccc1 5688869 RBDYHUWJLWWXFB-UHFFFAOYSA-N 367.478 3.252 10 40 FGCB CCCCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 32109811 FWEYSBWFZXBCIR-LGMDPLHJSA-N 366.417 3.336 10 40 FGCB N=C1/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)C(=O)N=C2SC=CN12 41076688 JKTXJACQHCNHCJ-CXHQGSNTSA-N 365.370 3.422 10 40 FGCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)c(N)c3)CC2)cc1 256051788 KMRVKBJFBSCMEK-YCRREMRBSA-N 371.868 3.293 10 40 FGCB CC1CCN(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 12546044 RXZNIWMCMPXTLP-UHFFFAOYSA-N 365.543 3.085 10 40 FGCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)o1 4356957 UOWJBQSLPMKBHW-NTUHNPAUSA-N 361.400 3.398 10 40 FGCB C[C@@H]1Cc2cc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)ccc2O1 5443020 SLRHMOTXUQRWIT-WRRZBFDZSA-N 361.488 3.390 10 40 FGCB CC[C@@H](C)Oc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Cl 4723751 NFXMAPUGUCCZAN-SNVBAGLBSA-N 366.870 3.116 10 40 FGCB CSc1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 41084970 OCOWXFBOGMJSGG-OVPUCLHSSA-N 371.491 3.081 10 40 FGCB CN(C)c1ccc(CNC(=O)c2ccc(N3CCCCC3=O)cc2)cc1 23956917 WQBSYHIXJHMBDN-UHFFFAOYSA-N 351.450 3.200 10 40 FGCB O=C(O)c1ccc(N/C=C2\C(=O)N(C3CCCCCC3)C(=O)N=C2O)cc1 103124668 NVUGHCCCGOPLMN-PTNGSMBKSA-N 371.393 3.322 10 40 FGCB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1/N=N/N(C)C 3377999 NHVMJPNGPRKYFQ-OXBTWTFQSA-N 366.421 3.382 10 40 FGCB NC(=O)c1ccsc1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 6586711 DUJSMKULGUKXOH-UHFFFAOYSA-N 366.855 3.108 10 40 FGCB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)cc1 408787943 BDORPJATBLGMAZ-GZTJUZNOSA-N 367.474 3.036 10 40 FGCB CN(C)c1ccc([C@H]2[C@@H]3C(O)=NC(=O)[C@@H]3ON2c2ccc(Cl)cc2)cc1 137882507 YVOKYPBRVIHUFV-YESZJQIVSA-N 371.824 3.380 10 40 FGCB O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)OC1CCCCC1 1239038 GAGRTZGSJZJXBM-LCYFTJDESA-N 351.449 3.357 10 40 FGCB CN1CCc2cc([C@@H](CNC(=O)NC3CCCCC3)N3CCCC3)ccc21 35597205 IZYMFTAQBBGXJX-OAQYLSRUSA-N 370.541 3.448 10 40 FGCB CCOC(=O)[C@@H](/N=N\c1ccc([N+](=O)[O-])cc1)SCCCC(=O)O 103550068 YRBQDGKBEVHBMH-PVEMMZBWSA-N 355.372 3.166 10 40 FGCB CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 725281 YDUQVCCWGCFDAO-ULFGMLNVSA-N 357.454 3.112 10 40 FGCB O=C(O)c1ccccc1/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O 16764726 PNDHWWHGCWJEDP-ZROIWOOFSA-N 357.412 3.496 10 40 FGCB CCCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)C(C(=O)OC)=C1C 409196774 YTOIKGYVSNDPGR-PTNGSMBKSA-N 359.422 3.177 10 40 FGCB Cc1ccc(C)n1-c1nc(CC(=O)N(C)Cc2ccccc2O)cs1 53916371 AFHJFYAUHHNOJJ-UHFFFAOYSA-N 355.463 3.457 10 40 FGCB COc1ccc(N2CCN(C(=O)CNc3cc(C)ccc3C)CC2)cc1 12543057 IPTUZIKFYIMEKY-UHFFFAOYSA-N 353.466 3.073 10 40 FGCB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\SC(=O)NC2=O)c1C 13801243 FSBYPVHAUHIHDK-NVNXTCNLSA-N 356.403 3.425 10 40 FGCB Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 1071727 XJXLVDHRPXFZQZ-GZTJUZNOSA-N 359.385 3.138 10 40 FGCB CCOc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5097727 IQOGZSCNHFNVMW-NRFANRHFSA-N 369.509 3.113 10 40 FGCB COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c2ccccc12 13602836 LUKYDOFHPQHDOL-ZSOIEALJSA-N 359.428 3.134 10 40 FGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 408865378 DEJZDPSQZZITRE-OQLLNIDSSA-N 370.792 3.323 10 40 FGCB C[C@H](CCCC(C)(C)O)NC(=O)C1CCN(Cc2ccccc2O)CC1 199402536 FNVLHXZATLSGCG-MRXNPFEDSA-N 362.514 3.050 10 40 FGCB Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 20111162 AKEBJLCBLVMHQM-UHFFFAOYSA-N 367.401 3.307 10 40 FGCB biogenic COc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(OC)cc1OC 9379488 GHEDLYGFVKYEFS-UHFFFAOYSA-N 356.422 3.104 10 40 FGCB CN1CCc2cc([C@@H](CNC(=O)Cc3cccs3)N3CCCC3)ccc21 8963275 FLKTWSHWJFXTGN-HXUWFJFHSA-N 369.534 3.236 10 40 FGCB CCCCc1cc(=O)oc2c(CN[C@@H](C(=O)O)[C@H](C)CC)c(O)ccc12 2137306 DGCSYLIWTOPBBP-KZULUSFZSA-N 361.438 3.430 10 40 FGCB biogenic CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(CC)cc3)S2)CC1 9188898 KIEYVBPGZKEFHJ-LGMDPLHJSA-N 372.490 3.494 10 40 FGCB CCOc1ccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OC)cc1OC 14406540 QMFHQEYFEDIMAG-YBEGLDIGSA-N 373.449 3.423 10 40 FGCB COc1ccc(N2N=C(C)/C(=C(\C)NCc3cccc(OC)c3)C2=O)cc1 103916089 PNWRXWBKZNIDNJ-ZHZULCJRSA-N 365.433 3.490 10 40 FGCB COc1ccc(N(/C=C/C=C/C=C2\SC(=S)N(C)C2=O)C(C)=O)cc1 4525789 JTYFCWPKLLGNIF-XPTYEKIJSA-N 374.487 3.492 10 40 FGCB CC[C@H](C)N1C(=O)/C(=C\Nc2ccc3c(c2)OCCO3)SC1=S 9422501 MFMONIRTFYOQNL-RSYJBZMQSA-N 350.465 3.370 10 40 FGCB CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 223744933 AHGVUEPXXDONHS-UHFFFAOYSA-N 374.506 3.335 10 40 FGCB CN(C)C(=O)[C@@]1(Nc2ccccc2)CCCN(Cc2ccc(F)cc2O)C1 2055751291 FWWGSEUUCHWQLB-OAQYLSRUSA-N 371.456 3.066 10 40 FGCB COc1ccc(C(C)(C)C)cc1NS(=O)(=O)c1cccc2nonc12 14256413 GKNAWYDOSPQPQI-UHFFFAOYSA-N 361.423 3.330 10 40 FGCB COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 30384773 LECPQKIKIOJHSD-UHFFFAOYSA-N 374.506 3.391 10 40 FGCB Cc1cccc(C)c1OCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 12641626 ILJVEJMNPBBMMI-UHFFFAOYSA-N 368.477 3.177 10 40 FGCB CCN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)O)cc2)SC1=S 6387043 NILUGBMBLZFVAG-UVTDQMKNSA-N 358.444 3.397 10 40 FGCB COc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccccc1 2767974 JMBPSSAWTNWCCW-XNTDXEJSSA-N 371.439 3.403 10 40 FGCB CCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)NC1=S 3667737 KXFYOCKIQJYZMF-UVTDQMKNSA-N 356.403 3.112 10 40 FGCB CCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 1871056 YMROUWWXJZVOEG-UKTHLTGXSA-N 351.449 3.151 10 40 FGCB CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)C(=N)N21 4800815 AMCYTVVKSPNWJX-KXXGJRMMSA-N 373.507 3.471 10 40 FGCB Cc1cc(-c2ccc(/C=C3/C(=O)NC(=O)N=C3O)o2)c(C)c([N+](=O)[O-])c1 1030312 MYIRZCGNDMMBKU-UHFFFAOYSA-N 355.306 3.061 10 40 FGCB CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)N(CC)C1=S 4803449 ZKYQMMPDUISYSM-PTNGSMBKSA-N 370.430 3.455 10 40 FGCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1ccccc1 33334114 IDWZTYJIYGMXOX-XDJHFCHBSA-N 363.486 3.475 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)c1 4704555 YLHDBNHFGNMILQ-WOJGMQOQSA-N 364.401 3.287 10 40 FGCB O=C1C[C@H](c2ccc(O)c(O)c2)c2c(ccc3nn(-c4ccccc4)nc23)N1 96117004 VCKVWQZSRUVVDV-CQSZACIVSA-N 372.384 3.306 10 40 FGCB O=C1NC(=O)C(=Cc2ccc(Sc3cccc4ccccc34)o2)C(=O)N1 5025751 WCPBWGZIDYDVDN-UHFFFAOYSA-N 364.382 3.333 10 40 FGCB COc1ccc(N2CCN(Cc3cc(C(C)=O)ccc3OC)CC2)cc1 57435064 XKVQVYZPONFJCM-UHFFFAOYSA-N 354.450 3.229 10 40 FGCB COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 13618207 PEORSOZXLDXBSJ-ZENNRRHLSA-N 365.476 3.084 10 40 FGCB O=C(O)CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1O 80316158 ZIMVMQWPQMYYOS-MRXNPFEDSA-N 356.353 3.074 10 40 FGCB C[C@H](NC(=O)c1ccc2c(c1)COC2)c1ccc(N2CCOCC2)cc1 64396094 ODKMSWVEVMJYPQ-HNNXBMFYSA-N 352.434 3.044 10 40 FGCB COc1ccc(Br)cc1C=C1C(=O)OC2(CCCC2)OC1=O 4501889 QNTYIOJXMPVURQ-UHFFFAOYSA-N 367.195 3.211 10 40 FGCB CN1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC1=S 20220047 HAPVQGLQPCGZNZ-WEVVVXLNSA-N 359.226 3.188 10 40 FGCB O=C(CN1CCCCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 7781990 HCAQCXJPFWJSSU-UHFFFAOYSA-N 362.429 3.277 10 40 FGCB CNC(=O)CSc1ncc(-c2ccc(OC)cc2)n1Cc1ccccc1 44086304 ZWPXIOGEQOFAPM-UHFFFAOYSA-N 367.474 3.445 10 40 FGCB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)NC3=O)c2C)c1 4140822 VXEYUWANWDGQJE-OQLLNIDSSA-N 356.403 3.205 10 40 FGCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408878858 CSBYPYWBHDDJLE-FOWTUZBSSA-N 350.374 3.060 10 40 FGCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O 409088307 KYKOTUKQADDAAE-JLHYYAGUSA-N 373.865 3.301 10 40 FGCB CSc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 13547890 OXESIEJNENZMQV-XFXZXTDPSA-N 353.490 3.475 10 40 FGCB Oc1ccc(Cl)cc1CN1CCC[C@H](c2noc(-c3cnccn3)n2)C1 19293012 FWXKSKYPVIHTMA-LBPRGKRZSA-N 371.828 3.265 10 40 FGCB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 20036134 YTIBCIZSZOBMOG-OAQYLSRUSA-N 368.477 3.305 10 40 FGCB O=C(O)CN1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S 6660972 VFIZGRDDQSABCR-WDZFZDKYSA-N 364.835 3.174 10 40 FGCB CCCN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)C1=O 409237085 IRAIAASQKVWJSQ-XNTDXEJSSA-N 354.362 3.256 10 40 FGCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OC)SC1=S 5373556 XEJGPWJVWNQYOX-WGQGCQLISA-N 365.476 3.396 10 40 FGCB COc1ccc([N+](=O)[O-])cc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 13590195 XRXDBDILUUKGAS-PTNGSMBKSA-N 352.350 3.322 10 40 FGCB CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@H](CC)C2 4646585 AZGNILTUXNTFJL-JTQLQIEISA-N 353.440 3.243 10 40 FGCB O=C1N[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Nc2ccccc21 5700512 JTCXFHRXUNDIFL-SFHVURJKSA-N 352.394 3.439 10 40 FGCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc([N+](=O)[O-])c1O 36022954 ISUJVUFRWOMWGG-ZSOIEALJSA-N 353.334 3.115 10 40 FGCB CCCOC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 4076855 ZBJVRNLZXKZJCN-HKLRHMNMSA-N 365.476 3.238 10 40 FGCB CN1C(=O)/C(=C\c2ccc(I)cc2)SC1=S 5201108 OPFGDKQDWACCNQ-RMKNXTFCSA-N 361.229 3.122 10 40 FGCB COc1ccc([C@]2(O)[C@H](C)N(c3ccccc3)C3=[N+]2CCCS3)c(F)c1 2921925 JKEFHHHDDIZNMW-VBKZILBWSA-N 373.473 3.394 10 40 FGCB CC(C)COCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 55531154 RZBZGSUXXHRPLZ-HOTGVXAUSA-N 366.477 3.118 10 40 FGCB C1=C(c2cccnc2)CCN(c2ccc3nnc(-c4ccccc4)n3n2)C1 95467574 RAAKUVKWOLOLLX-UHFFFAOYSA-N 354.417 3.480 10 40 FGCB CCOc1cc(Br)cc(/C=C2/SC(=S)N(C)C2=O)c1O 1188581 JVRCHCRAIKVCGC-BJMVGYQFSA-N 374.281 3.384 10 40 FGCB CCn1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 13512980 NYCGCTCIEMVNQO-SFQUDFHCSA-N 365.433 3.456 10 40 FGCB COc1ccc2ccc(O)c(CN3CCN(C(=O)c4ccco4)CC3)c2c1 95464575 IBCLFCLAJMJMIY-UHFFFAOYSA-N 366.417 3.105 10 40 FGCB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccc(Cl)cc1 5552788 SAUCHCUWBRGVHP-WQLSENKSSA-N 363.851 3.214 10 40 FGCB Cc1ccc(O)c(/N=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 100010215 DIUMKGCYLLEYNO-VHEBQXMUSA-N 361.423 3.137 10 40 FGCB Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cccc(F)c1 2427575 TYHFTPJSCDJVIU-IEERDHFISA-N 367.409 3.482 10 40 FGCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CCOC)C2=O)c(OC)c1 409141873 JJAAEAMUAVQVLN-LFIBNONCSA-N 364.467 3.224 10 40 FGCB CC(=O)N1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 7788024 JYYDCPADCVDEBL-GHVJWSGMSA-N 365.437 3.205 10 40 FGCB COc1ccc(N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC 58178462 PGIWRALESKQPEO-UHFFFAOYSA-N 370.365 3.298 10 40 FGCB CCOc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1O 409080733 MLBNJQCPFNUZFS-OJLMPMFISA-N 365.476 3.171 10 40 FGCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(O)cc1 631825 UBYUKSGLKROAFI-PTNGSMBKSA-N 353.349 3.409 10 40 FGCB CC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 35294202 VRCHDIKUQYZPOW-UHFFFAOYSA-N 373.884 3.094 10 40 FGCB COc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)c(O)c1 13994414 OKYMTPDAYBTQLE-SFHVURJKSA-N 371.433 3.311 10 40 FGCB CCOc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 5097677 PUQMEEAIQNJEHR-IBGZPJMESA-N 355.482 3.184 10 40 FGCB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc(N2CCCC2)c1C 4749128 GPYRJVUIRZYDJW-RGEXLXHISA-N 361.445 3.365 10 40 FGCB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc(O)cc2O)NC(=O)N1 5943921 IUCUUIPLHOOAJM-MRXNPFEDSA-N 373.796 3.018 10 40 FGCB O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)N1CCCCC1 3066917 UZUSGDJYFGTDDK-FYWRMAATSA-N 360.504 3.290 10 40 FGCB CCCC1=C(C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)n2nc(C)nc2N1 14163365 IQZYCKXELWEWPF-SFHVURJKSA-N 369.469 3.285 10 40 FGCB C[C@H](NC(=O)/C=C/c1ccco1)c1ccc(N2CCN(C)CC2)c(F)c1 56269778 WHEORVAOLIHQDQ-VFADXPBXSA-N 357.429 3.061 10 40 FGCB CN1CCCc2cc(CNC(=O)Nc3ccc4c(c3)CCC(=O)N4)ccc21 58617256 MLEOFBNHHRSGJC-UHFFFAOYSA-N 364.449 3.275 10 40 FGCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc([N+](=O)[O-])cc1 35043537 KQVZZMUELPGYIE-NTEUORMPSA-N 369.358 3.375 10 40 FGCB CN1CCc2cc([C@@H](CNC(=O)c3cccc(F)c3)N3CCCC3)ccc21 8963289 IXNYQDVOJPOQGU-OAQYLSRUSA-N 367.468 3.385 10 40 FGCB CCOc1ccc(/C=C2\C(=O)N(C(C)C)C(C)=C2C(=O)OC)cc1OC 6964021 JCKQUMFQNIHDED-GDNBJRDFSA-N 359.422 3.175 10 40 FGCB CCN(CC)c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 12523326 XYWSIPNVBOSNQC-UHFFFAOYSA-N 350.459 3.493 10 40 FGCB CCOc1ccccc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O 409139080 MCLNPGRIQQIKJT-VBKFSLOCSA-N 352.415 3.486 10 40 FGCB CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C(=O)NC1=S 409393449 XKYYLKITUHRSLL-NTEUORMPSA-N 373.865 3.086 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(F)cc3)C2=O)c(C)c1 408529198 IPYWLDALFKJPQI-XNTDXEJSSA-N 353.353 3.021 10 40 FGCB CC1=NN(C(=O)c2ccccc2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1 104230882 OXFDNFJVBHIBOG-AMGRQBIBSA-N 351.322 3.106 10 40 FGCB O=C(O)c1ccc(/C=C2/SC(=S)N(c3ccc(O)cc3)C2=O)cc1 1002976 FPSZYKXIAYVJEA-NTEUORMPSA-N 357.412 3.496 10 40 FGCB COc1ccc(N(C)Cc2nc3c(oc4ccccc43)c(=O)[nH]2)cc1OC 58430050 GOFXBZUOTCNTNZ-UHFFFAOYSA-N 365.389 3.323 10 40 FGCB CN1CCN(c2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 216927640 SFJDIBNXIICCIA-IZZDOVSWSA-N 369.896 3.421 10 40 FGCB CC(=O)O[C@H](C)c1csc2c1C(=O)c1cc([C@H](C)O)sc1C2=O 390823345 ZSOAKSVUSXHJPU-NKWVEPMBSA-N 350.417 3.262 10 40 FGCB CCCCNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 13550013 ZYPPDCONEMKPKB-CAPFRKAQSA-N 365.477 3.440 10 40 FGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 5371238 WYXOHLNKVHUPIV-FNWMBBJUSA-N 351.449 3.237 10 40 FGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cn(C)c4ccccc34)C2=O)c1 713042 YIKVTTODIBALQN-GZTJUZNOSA-N 359.385 3.153 10 40 FGCB biogenic,in-vitro CN1CCCc2cc(CNC(=O)N3CCO[C@@H](c4ccccc4)C3)ccc21 57661952 FVQQEIGNDYIKCA-OAQYLSRUSA-N 365.477 3.352 10 40 FGCB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 409222263 WKVULCJFQAAKQJ-FOWTUZBSSA-N 366.442 3.225 10 40 FGCB COc1ccc(N2CCN(c3nc(C)c(CCC(C)C)c(=O)[nH]3)CC2)cc1 8974516 DABNMODRPJTIGM-UHFFFAOYSA-N 370.497 3.002 10 40 FGCB COc1ccc(OC)c(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)c1 6952003 SKVFSKIDMPFKIQ-INIZCTEOSA-N 374.487 3.070 10 40 FGCB CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccs1 89302515 BIWGRUGSGYAQHM-UHFFFAOYSA-N 361.448 3.413 10 40 FGCB Cc1noc(C)c1S(=O)(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1 223779991 BMCPEMCBJCTDAL-CYBMUJFWSA-N 363.483 3.006 10 40 FGCB CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)Nc4ccccc4)C[C@H]3C2)cc1 96245591 WCQQXAPDBUVAFU-RTBURBONSA-N 364.493 3.348 10 40 FGCB Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=C2/C(=O)NC(=S)N=C2O)o1 825652 PCMAAXKNKLDNBB-UHFFFAOYSA-N 371.374 3.226 10 40 FGCB Cc1cc(/C=C/C(=O)NCc2nnc3ccccn23)c(C)n1-c1ccccc1 12534639 AKFIDAUUOBHEGG-VAWYXSNFSA-N 371.444 3.466 10 40 FGCB CC(C)n1ncc2cc(NC(=O)NCc3ccc(N(C)C)cc3)cnc21 48354884 XRMIILGEDMMYEK-UHFFFAOYSA-N 352.442 3.400 10 40 FGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc2c(c1)OCO2 16184514 AMACBOXCUDJKFA-NVNXTCNLSA-N 357.406 3.134 10 40 FGCB CCOc1cccc(N2C(=O)/C(=C/c3sccc3C)C(=O)NC2=S)c1 409001405 PPOKCINDMYSQIK-GXDHUFHOSA-N 372.471 3.287 10 40 FGCB COC(=O)c1c(NC(=O)C[C@@H](C(=O)O)c2ccccc2)sc2c1CCC2 13249705 RKRDSEIHTLINPJ-CYBMUJFWSA-N 373.430 3.220 10 40 FGCB CN(C)c1ccc(CNC(=O)CCc2nc(-c3cccs3)no2)cc1 7243679 HTROACZILHZGJH-UHFFFAOYSA-N 356.451 3.113 10 40 FGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)c1 408786620 SXLPCQLGZQYHMA-RIYZIHGNSA-N 370.792 3.329 10 40 FGCB O=[N+]([O-])c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)nc1 223949640 WSFVBVRGGKMSKL-UHFFFAOYSA-N 357.439 3.077 10 40 FGCB CCOc1ccc(O)c([C@H]2Nc3cc(OC)c(OC)cc3C(=O)N2C)c1 42185986 XXLUPUZDBWEJJM-SFHVURJKSA-N 358.394 3.004 10 40 FGCB Cn1cccc1/C=C1\SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O 5164150 PRATVMXZUPWLSX-ZVHGMHCTSA-N 358.444 3.052 10 40 FGCB CC(=O)N1CCN(C(=O)/C=C/c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 32901437 ZRCNSUIGFKGNBJ-JXMROGBWSA-N 365.477 3.106 10 40 FGCB COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1 96663446 HYQPBYQYPSIELM-NTEUORMPSA-N 356.428 3.274 10 40 FGCB COc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)c1 216482761 SPNQIYHLARJFHF-INIZCTEOSA-N 354.450 3.379 10 40 FGCB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1cccc(O)c1 13811051 WWQJOIUJXZFZSD-NTOUICHMSA-N 372.427 3.088 10 40 FGCB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1 37865628 GJBWPMBFDLDCDX-LDADJPATSA-N 372.453 3.259 10 40 FGCB Cc1ccc(S(=O)(=O)Nc2ccc(/N=N/N3CCOCC3)cc2)cc1 866351 FFPPKWNQCNBFLT-CZIZESTLSA-N 360.439 3.127 10 40 FGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(F)cc1 4736923 QDLSBYSAVYWLIM-UYRXBGFRSA-N 367.380 3.478 10 40 FGCB CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1[N+](=O)[O-] 7786438 AATFEYXKFBZITD-SFHVURJKSA-N 352.394 3.390 10 40 FGCB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1O 95470881 HSZATCGZTJQAEY-GXDHUFHOSA-N 352.350 3.327 10 40 FGCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409066346 AFTUTWSUGDHINO-MHWRWJLKSA-N 369.446 3.249 10 40 FGCB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 214897118 FYTQKYIRWNCXSP-OVCLIPMQSA-N 372.358 3.243 10 40 FGCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)ccc1O 1250590 FLTUKBDHCRMNMV-FMIVXFBMSA-N 370.336 3.437 10 40 FGCB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 5947709 WTNRNYFMMMWPEP-GZTJUZNOSA-N 367.405 3.425 10 40 FGCB CN1CCc2cc([C@@H](CNC(=O)c3ccc(F)cc3)N3CCCC3)ccc21 8963281 RRTUVOHKTAGDHQ-OAQYLSRUSA-N 367.468 3.385 10 40 FGCB O=C(N[C@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@H]1COCCO1 48678489 BDTVMPYHLFWVTG-TZIWHRDSSA-N 363.413 3.166 10 40 FGCB O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1cccc2nonc12 14254852 NRNSBHWEJRGTGR-UHFFFAOYSA-N 361.276 3.182 10 40 FGCB Cc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)o1 19842260 OPUKQFOXRYRKHM-AQTBWJFISA-N 367.474 3.376 10 40 FGCB COc1ccc([N+](=O)[O-])cc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 103877864 XRXDBDILUUKGAS-RVDMUPIBSA-N 352.350 3.322 10 40 FGCB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)NC[C@H]1CCCO1 6657481 RWGFZUKVQMMBKS-MRXNPFEDSA-N 359.495 3.266 10 40 FGCB COc1ccccc1/C=C/C=C1/SC(=S)N(CCCC(=O)O)C1=O 97990686 ITEIZBWMOONPAU-CEOICYJGSA-N 363.460 3.317 10 40 FGCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2cccnc2)SC1=S 5372342 BBHWOVLQSNUCMV-AUWJEWJLSA-N 356.428 3.494 10 40 FGCB CCOc1cccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OC)c1O 6964907 OXEDHENHSWICAU-GDNBJRDFSA-N 359.422 3.120 10 40 FGCB Cn1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 13787167 JOBWFYRBNAWYRA-ZROIWOOFSA-N 360.460 3.244 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cccc(-n4cccc4)c3)CC2)cc1 8138930 WLZUEUHVMSCINR-UHFFFAOYSA-N 361.445 3.448 10 40 FGCB COc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(N(C)C)cc2)c1 72329245 LXJFYEIBOGBDPP-UHFFFAOYSA-N 350.422 3.081 10 40 FGCB CCCOC(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(N)c1 225442834 AHPBWVKVMSYECK-UHFFFAOYSA-N 369.465 3.171 10 40 FGCB Cc1cc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1Cl 65420476 YADXOZXSCPRDIH-UHFFFAOYSA-N 374.868 3.180 10 40 FGCB CC(/C=C1\SC(=S)N(CC(=O)N2CCCC2)C1=O)=C\c1ccccc1 4745624 SRSWDRLIDMCEFW-YUTYINLDSA-N 372.515 3.457 10 40 FGCB c1ccc(-c2cnc(SCCn3cncn3)n2C[C@@H]2CCCO2)cc1 58328846 NGCMFCCLHOKUBG-INIZCTEOSA-N 355.467 3.113 10 40 FGCB Cc1cc(C(=O)NCc2cn3ccsc3n2)c(C)n1-c1ccccn1 84081377 KUBWBBMXPXCVFB-UHFFFAOYSA-N 351.435 3.128 10 40 FGCB CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc(N)cc3)CC2)CC1 2362803890 ZNKJQBCPTZYNFU-UHFFFAOYSA-N 374.529 3.038 10 40 FGCB O=C1N=C(O)/C(=C\c2nc(-c3ccccc3Cl)n3ccccc23)C(=O)N1 956901 SNZQFPZRARRASY-UHFFFAOYSA-N 366.764 3.244 10 40 FGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc[nH]n3)c2C)cc1F 48279735 QUNMLFPRMJAFLF-UHFFFAOYSA-N 355.369 3.304 10 40 FGCB C[C@H](NC[C@H]1Cc2ccccc2O1)c1ccc(N2CCC(O)CC2)cc1 95419689 XDLWEETWFXUXTL-HRAATJIYSA-N 352.478 3.302 10 40 FGCB COc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1OC 27501192 IVKGIFKEHNLJNF-ZSOIEALJSA-N 372.808 3.127 10 40 FGCB Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 409233630 LKULUOQFLRXLLW-UHFFFAOYSA-N 354.456 3.061 10 40 FGCB O=C(O)c1cc(NS(=O)(=O)c2ccc3c4c(cccc24)CC3)ccc1O 226861749 WKYNQYLDVAWUAZ-UHFFFAOYSA-N 369.398 3.143 10 40 FGCB CCCCCC[C@@H](C)N/C=C1/C(=O)NC(=O)N(c2cccc(F)c2)C1=O 2595734 PFPPIYJPJKWPHV-OPCAMPFDSA-N 361.417 3.241 10 40 FGCB O=S(=O)(Nc1ccc(O)cc1F)c1ccc(Br)s1 6505545 KZWPWMHWLFSFQM-UHFFFAOYSA-N 352.206 3.156 10 40 FGCB Cc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(N)n3)c2C)cc1F 6607378 IFNDYJDFCMRRQA-UHFFFAOYSA-N 359.430 3.217 10 40 FGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)c1 408879041 DZGFVHFNFCWVIP-NTEUORMPSA-N 370.792 3.329 10 40 FGCB COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1OCc1ccccc1 713412 JLHHLICVHHHLEV-UHFFFAOYSA-N 368.385 3.494 10 40 FGCB Oc1cc2c(cc1[C@@H](Nc1ccccn1)c1ccc3c(c1)OCO3)OCO2 6244365 DVDBBDLFUXCNEI-FQEVSTJZSA-N 364.357 3.446 10 40 FGCB COc1ccc(N2CCCN(C(=O)NOCc3ccccc3)CC2)cc1 56373394 WTFPSNUMHGVEQP-UHFFFAOYSA-N 355.438 3.049 10 40 FGCB COC(=O)c1ccc(N[C@H]2SC(=S)N(c3ccccc3)C2=O)cc1 4608412 WZSYQJWSBYHLIR-AWEZNQCLSA-N 358.444 3.276 10 40 FGCB COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(OC)c1 409126224 DYGHXTCARGQTKQ-YBEGLDIGSA-N 368.414 3.104 10 40 FGCB CC(=O)Nc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1O 12536036 UWXQEKUIZFUUMT-UHFFFAOYSA-N 374.340 3.170 10 40 FGCB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1 20459639 XUTCHYMIIVRTNG-KRWDZBQOSA-N 368.477 3.169 10 40 FGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 16160732 IIZFTERXRCGJKU-DHDCSXOGSA-N 371.780 3.462 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\[C@H]1C(C)=NN(c2ccccc2)[C@@H]1O 16607906 RJJJWYYBXXBYMY-MBKBOMKDSA-N 360.417 3.166 10 40 FGCB CC(=O)Nc1ccc(N/C=C2\C(=O)N(C3CCCCC3)C(=O)N=C2O)cc1 102716348 UVBXLJYXTDVDFZ-WJDWOHSUSA-N 370.409 3.192 10 40 FGCB COc1ccc(-c2cc3ccc(O)c(CN(C)C)c3oc2=O)cc1OC 1237920 NMXTZBYQGIXQSX-UHFFFAOYSA-N 355.390 3.244 10 40 FGCB biogenic COC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1C 2438285 QUETVHHGWQVOPG-UHFFFAOYSA-N 354.358 3.329 10 40 FGCB biogenic COc1ccc(CNCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cc1O 48748938 LMLHBFFRSXGFKA-GASCZTMLSA-N 374.456 3.443 10 40 FGCB O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc2c(c1)OCO2 5345877 QFSYVIXKSHKGNC-GIDUJCDVSA-N 373.411 3.232 10 40 FGCB O=S(=O)(/N=c1/cccc[nH]1)c1ccc(/N=N/c2ccccc2O)cc1 77312720 HGJLOOKUKJWWDL-FMQUCBEESA-N 354.391 3.425 10 40 FGCB in-vitro COc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 1417250 RCNIHQCEESFEHK-PTNGSMBKSA-N 370.455 3.241 10 40 FGCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2[C@H](C)CC1(C)C 208301679 OGBXNIYVKGNALP-JXCQQFQQSA-N 371.506 3.055 10 40 FGCB CC(C)(C)NC(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S 6168005 IMAWKOZTZFVPBF-JLHYYAGUSA-N 366.483 3.332 10 40 FGCB CN(C)/N=N\c1ccc(/N=N\c2ccc(N(CCO)CCO)cc2)cc1 100530750 FLTUKZXDNDUEPV-ZEINVRMVSA-N 356.430 3.453 10 40 FGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OC)c2)SC1=S 27530409 ZAHJHACRNMXCJV-AUWXEVLLSA-N 351.449 3.150 10 40 FGCB CCN1C(=O)/C(=C\c2cccc(Br)c2)C(C(=O)OC)=C1C 59435691 WDEQCAAZOZFKNN-LCYFTJDESA-N 350.212 3.142 10 40 FGCB Cc1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)cc1 4718876 MIDBIFHKQBAFHK-GDNBJRDFSA-N 357.207 3.219 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cnc(Cl)c(Cl)c3)CC2)cc1 3341854 GDIGDITZCFBNFB-UHFFFAOYSA-N 366.248 3.359 10 40 FGCB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccccc1 33286016 MMJVDMANAXGKMD-GXDHUFHOSA-N 358.419 3.372 10 40 FGCB Cc1cccc(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2SCCC3)c1 2966125 VNQMESYJNVYSFA-IBGZPJMESA-N 370.454 3.074 10 40 FGCB COc1ccc(N2CCN(C(=O)CNc3cc(Cl)ccc3C)CC2)cc1 12542793 IGWVOOXEWKRDJN-UHFFFAOYSA-N 373.884 3.418 10 40 FGCB C/C(NC[C@H]1CCCO1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112116735 QALQKDOYRPETPJ-WDULPBOOSA-N 361.445 3.480 10 40 FGCB Cc1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c1C 4090660 COXJWTGRWMJKMV-UHFFFAOYSA-N 365.433 3.145 10 40 FGCB Cc1ccc(C)c(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 6471453 FPMOIYZUCXHVGX-UHFFFAOYSA-N 364.492 3.143 10 40 FGCB COc1ccc(CNc2c(-c3ccc(O)c(O)c3)nc3cnccn23)cc1 12113850 YUSUGEBKSWGLBJ-UHFFFAOYSA-N 362.389 3.428 10 40 FGCB COc1ccc(N2CCCCC2)cc1C(=O)N[C@@H](C)c1cn(C)nc1C 19663895 LIFVXSSUTSDSJG-AWEZNQCLSA-N 356.470 3.218 10 40 FGCB O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 8738777 OSEHRZOLUSOCJW-SSZFMOIBSA-N 365.389 3.141 10 40 FGCB CCCCN1C(=O)/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 36613180 COAPDRVFGYDAJN-XYOKQWHBSA-N 368.436 3.310 10 40 FGCB COc1ccc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)c(O)c1 12119191 DKKACYQCUCUJTO-OAHLLOKOSA-N 354.406 3.146 10 40 FGCB CCCCN1CCc2cc(/C=C3/C(=O)N(OCC)C(=O)N=C3O)ccc21 8741462 RVWLLRVHBKOSBB-NTCAYCPXSA-N 357.410 3.103 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn(C)c2ccccc12 16134921 VIWGEAIVHMDTLH-UHFFFAOYSA-N 363.461 3.287 10 40 FGCB C[C@@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 4745779 RRAQXCYZVBFMBU-ONBLTVQMSA-N 353.852 3.484 10 40 FGCB O=C(Cc1cn2ccsc2n1)NCc1ccc(N2CCCCC2)cc1 63701979 HNNVZZRALVZZPR-UHFFFAOYSA-N 354.479 3.245 10 40 FGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 408786717 VBAUJKKBROHSRQ-GXDHUFHOSA-N 370.792 3.405 10 40 FGCB CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 408812743 MIYMVGBSLYOGFF-SFQUDFHCSA-N 350.374 3.140 10 40 FGCB CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 2486385 NUUBFQMTRMAPEL-WDEREUQCSA-N 363.435 3.019 10 40 FGCB CCCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@@H](C)C2 2486565 GMEAIVBDKJFZFW-SNVBAGLBSA-N 353.440 3.243 10 40 FGCB O=C1/C(=C\c2nc3ccccc3[nH]2)C(O)=NC(=S)N1c1ccccc1F 6813990 CEKIKDCYVMXJDS-KTKRTIGZSA-N 366.377 3.374 10 40 FGCB O=C1N=C(Nc2ccccc2)S/C1=C/c1ccc2c(c1[N+](=O)[O-])OCO2 33547077 JQKXQACGMNZQSZ-MDWZMJQESA-N 369.358 3.406 10 40 FGCB CCOC(=O)[C@@H]1CCCN(c2cccc3c2C(=O)c2ccccc2C3=O)C1 4167854 IGBFUVCLSYEORF-CQSZACIVSA-N 363.413 3.242 10 40 FGCB CC[C@H](C)N1C(=O)/C(=C/Nc2cccc(C(F)(F)F)c2)C(=O)NC1=S 9460894 WZJUDUYVANMNHB-KWINOFQJSA-N 371.384 3.043 10 40 FGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccn3C(C)(C)C)C2=O)c1 32122971 YANSUBMIEBJALF-VBKFSLOCSA-N 351.406 3.218 10 40 FGCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1Cl 1796370 RXWVAYAOMBVHCZ-GXDHUFHOSA-N 361.829 3.355 10 40 FGCB CCN(CC)C(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 4600959 JDZKZDKAEXKPIU-CAPFRKAQSA-N 365.477 3.392 10 40 FGCB Cc1ccc(N2CC(C3=C(O)CN(c4ccc(C)cc4)C3=O)=CC2=O)cc1 217424699 SUHPOVLTUYWLGC-UHFFFAOYSA-N 360.413 3.435 10 40 FGCB Cc1cc(C)n(C2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)n1 19658361 IRVJVVVISZJBCV-UHFFFAOYSA-N 372.488 3.313 10 40 FGCB O=Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)cc1 5375003 DUQQBUSCANVVGK-UVTDQMKNSA-N 363.460 3.345 10 40 FGCB FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1ccncc1 69714849 AOHHLAYKTXJJNO-UHFFFAOYSA-N 351.372 3.227 10 40 FGCB CCCOc1ccccc1/C=C1/SC(=S)N(CCC(=O)O)C1=O 2673284 XHPFIGMSNIVABK-JLHYYAGUSA-N 351.449 3.151 10 40 FGCB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CN1CCCCC1 21964718 XSRVSRILLFGKDJ-GXDHUFHOSA-N 363.464 3.239 10 40 FGCB COc1ccc(N2N=C(C)/C(=C(\C)NCCc3ccc(O)cc3)C2=O)cc1 103916921 HGTXMKWSSYKNPU-ZHZULCJRSA-N 365.433 3.230 10 40 FGCB O=C(O)CCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 17993677 KTKYSRXRISIZRF-QAHSQZNUSA-N 353.852 3.485 10 40 FGCB C[C@@H](O)CNCc1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12 20625118 FOTFVGJPQOPDMQ-LLVKDONJSA-N 359.809 3.289 10 40 FGCB CC(C)CCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 3340416 XMBDCEYBMOIHBC-NTEUORMPSA-N 365.476 3.397 10 40 FGCB COc1ccc2sc(NC(=O)[C@@]34CC[C@](C)(C(=O)C3=O)C4(C)C)nc2c1 102616663 MDNZQYDXZYWXJJ-RTBURBONSA-N 372.446 3.208 10 40 FGCB O=C(Cc1ccc(Cl)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 58201691 RGUDDWJITNOJEJ-UHFFFAOYSA-N 372.896 3.408 10 40 FGCB COc1ccc(/C=C2/SC(S)=NC2=O)cc1Cn1nc(C)cc1C 8336589 PDBJMZFTLPTQRN-OVCLIPMQSA-N 359.476 3.457 10 40 FGCB COc1cc(Br)c(/C=C2\SC(S)=NC2=O)cc1OC 8106792 MGKLTIIXSNLLHK-WMZJFQQLSA-N 360.254 3.366 10 40 FGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3C[C@@H]3C)c2C)cc1 20833568 AZSHZANJQABXKG-YVEFUNNKSA-N 369.417 3.263 10 40 FGCB CC[C@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 942763 NVOQDHCNIATUHH-INIZCTEOSA-N 353.374 3.118 10 40 FGCB COc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)cc1 57548388 SBLBADPHIUIJIH-UHFFFAOYSA-N 353.466 3.073 10 40 FGCB COc1ccc(N(C)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1OC 65564969 VTLPPLFWYYBBFS-UHFFFAOYSA-N 371.462 3.127 10 40 FGCB C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 48278438 LDAXYZCWZPPWJD-MRXNPFEDSA-N 369.465 3.047 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3cccc(F)c3)C2=O)cc1C 5647444 ZKHSRFDZRNNCLB-MHWRWJLKSA-N 353.353 3.021 10 40 FGCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)cc2)C1=O 408892809 DACOPDKLYDATQQ-UKTHLTGXSA-N 356.765 3.020 10 40 FGCB COc1ccc(N2CCC(N(CC(=O)O)Cc3ccccc3)CC2)cc1 257299212 RPDKBDHKBSAGRY-UHFFFAOYSA-N 354.450 3.251 10 40 FGCB NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 4718540 FRZVWENMAQXFAK-ZJNRKIDTSA-N 371.418 3.069 10 40 FGCB CCN(CC)c1ccc(/C=C2/C(=O)N(C[C@@H]3CCCO3)C(=O)N=C2O)cc1 1156123 JMMZNRHHHLCSTO-WLSWZUKCSA-N 371.437 3.014 10 40 FGCB CCCCc1cc(=O)oc2c(CN[C@@H](CC(C)C)C(=O)O)c(O)ccc12 2216500 QEKIVQJVRWDTOQ-INIZCTEOSA-N 361.438 3.430 10 40 FGCB CSc1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccccn12 67786557 QKBHMIUWPUFJMM-UHFFFAOYSA-N 354.479 3.394 10 40 FGCB Oc1c([C@H](c2ccncc2)N2CCOCC2)cc(Cl)c2cccnc12 21486922 JDPDCZOGRJHMBV-SFHVURJKSA-N 355.825 3.410 10 40 FGCB CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 4126594 HKTLETRTGJBYFO-ULFGMLNVSA-N 373.522 3.277 10 40 FGCB COc1ccc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1O 48748941 LMLHBFFRSXGFKA-HUUCEWRRSA-N 374.456 3.443 10 40 FGCB COc1cc([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)cc(OC)c1OC 66091762 HHILHXSEXCYEGG-INIZCTEOSA-N 370.405 3.116 10 40 FGCB CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)cc1 193779042 IMMSHBPIBREDKI-UHFFFAOYSA-N 369.465 3.186 10 40 FGCB COc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1-n1ccnc1 19664345 ZOBJEWJLNJZCHG-UHFFFAOYSA-N 362.433 3.272 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\[C@@H]1C(=O)N(c2ccccc2)N=C1C 100049527 QPAPQRFSPBUJAU-UZNZLNSGSA-N 358.401 3.374 10 40 FGCB O=C(O)c1cc(-c2ccc(C(=S)N3CCOCC3)o2)ccc1Cl 4866025 WWEZKEFJXFPKGI-UHFFFAOYSA-N 351.811 3.306 10 40 FGCB NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 143726395 FRZVWENMAQXFAK-FHSNZYRGSA-N 371.418 3.069 10 40 FGCB O=C1c2ccccc2C(=O)c2cc(C3=[N+]([O-])c4ccccc4C3=O)ccc21 3844996 UNSAEIUDSAXQJP-UHFFFAOYSA-N 353.333 3.289 10 40 FGCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 408865310 AGPOKZRFQIFGGW-SDNWHVSQSA-N 370.792 3.405 10 40 FGCB COc1ccc(N2CCCCC2)cc1C(=O)NCCc1c(C)nn(C)c1C 19716215 SHGSBMWQZZJWLW-UHFFFAOYSA-N 370.497 3.008 10 40 FGCB CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)C(C(=O)OC)=C1C 409197290 ASBHSFHSDKBWPF-PTNGSMBKSA-N 359.422 3.177 10 40 FGCB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/c3ccc(O)nc3)cc2)n1 18324019 TYXHQWIUGPWYLC-QZQOTICOSA-N 370.394 3.102 10 40 FGCB Cc1c(Cl)cccc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 408975458 KOUMEMCQFAFOMB-UHFFFAOYSA-N 358.781 3.342 10 40 FGCB Nc1cccc(N/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c1 102543343 GNSVHPPEGPGUPU-ZROIWOOFSA-N 356.769 3.341 10 40 FGCB CCc1cccc(N2C=C(C(=O)OC)S(=O)(=O)c3cc(F)ccc32)c1 64979228 CYRPPDHTRUOBOJ-UHFFFAOYSA-N 361.394 3.328 10 40 FGCB Cc1nccn1C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 36752789 XHZRAAVWMWABDG-IBGZPJMESA-N 372.488 3.079 10 40 FGCB O=C(O)CCCN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S 6660808 YZVHSCHGSWQPLK-RAXLEYEMSA-N 358.444 3.301 10 40 FGCB CCN(CC)CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 4837372 GYKCOAYJKHCBQC-UHFFFAOYSA-N 350.418 3.132 10 40 FGCB CCc1ccc(OCC(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 7496951 YDWNNQPGOIFYPR-UHFFFAOYSA-N 370.449 3.112 10 40 FGCB CN1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)CC1 33323203 PIYWSHAXQRDHTG-MDWZMJQESA-N 356.278 3.211 10 40 FGCB Cc1cc2c(cc1C=C1C(=O)NC(=O)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C 223598505 MIBPKEIQJJDUND-ZDUSSCGKSA-N 369.465 3.245 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 22318104 XBFSIGSHDLCNSL-GOSISDBHSA-N 365.477 3.302 10 40 FGCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1 6822072 NCLLMWIXCBWFBT-UHFFFAOYSA-N 358.405 3.322 10 40 FGCB CC1=CC2=NC(=O)/C(=C/c3cccn3CCOc3ccccc3)C(=N)N2O1 2331036 POCDEUQJVPBYOU-BEOJHSSFSA-N 362.389 3.017 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3)CC2)cc1 7504519 BUCDNEYSNMGCNT-HNNXBMFYSA-N 374.868 3.465 10 40 FGCB C[C@H]1CCCN(C(=O)C2CCN(Cc3cc4c(cc3O)CCC4)CC2)C1 54471484 XAPSDPCOYBOGRU-INIZCTEOSA-N 356.510 3.351 10 40 FGCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 408529777 JYODGNWTXSAYEE-GZTJUZNOSA-N 363.417 3.499 10 40 FGCB CCCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 409239882 RJKZTPHVTSIGPP-XNTDXEJSSA-N 354.362 3.256 10 40 FGCB COc1ccc(N2CCO[C@H]2c2cn(Cc3ccc(F)cc3)nn2)cc1 216766961 QXVGOEVFYQYBOK-IBGZPJMESA-N 354.385 3.010 10 40 FGCB Cc1nc([C@@H]2CCN(Cc3cc(C)c(N4CCCC4)cc3C)C2)cc(=O)[nH]1 19567143 RBXWIENUAJQSBS-GOSISDBHSA-N 366.509 3.285 10 40 FGCB CN(Cc1ccccc1O)C(=O)c1[nH]nc(C2CC2)c1Br 58415017 UNKBXJVPYCQFHI-UHFFFAOYSA-N 350.216 3.027 10 40 FGCB CCN(CC)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 4507884 VMEHBMSXINPMHK-SDNWHVSQSA-N 366.483 3.285 10 40 FGCB CCN(C(C)=O)c1nc(/C=C2/SC(NC3CCCC3)=NC2=O)cs1 96405164 RMZFUWUZFMQVFO-MDWZMJQESA-N 364.496 3.018 10 40 FGCB CCN1C(=O)/C(=C\c2cccn2C)C(=O)N(c2ccc(Cl)cc2)C1=S 409008959 ATBMVWJDVJMJLE-RVDMUPIBSA-N 373.865 3.242 10 40 FGCB COc1ccc(CN2[C@H]3CC[C@@H]2Cc2c3cnc3cc(C)nn23)c(O)c1 72336925 CHURFJISIMWOFF-PBHICJAKSA-N 350.422 3.014 10 40 FGCB CCCC1=NN2C(=N)/C(=C\c3ccc(OC)c(OC)c3)C(=O)N=C2S1 33294151 IEAXHIBOGOYQFE-NGRIUPPZSA-N 358.423 3.123 10 40 FGCB Oc1cc(F)ccc1CN1C[C@H]2CCN(c3ncccc3F)CC[C@H]2C1 2056224476 RLTZHTCSFPWZFF-GASCZTMLSA-N 359.420 3.414 10 40 FGCB C[C@@H](NC[C@H]1Cc2ccccc2O1)c1ccc(N2CCC(O)CC2)cc1 95419690 XDLWEETWFXUXTL-IIBYNOLFSA-N 352.478 3.302 10 40 FGCB COC(=O)C1=CN(c2cccc(Cl)c2)c2ccc(F)cc2S1(=O)=O 64979247 HCAHGGKYPMBGAR-UHFFFAOYSA-N 367.785 3.419 10 40 FGCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1 408890887 HZAHTDGBNVOOFB-XNTDXEJSSA-N 370.792 3.274 10 40 FGCB O=C(CSc1nccs1)Nc1nc2cc3c(cc2s1)OCCO3 47297216 OAPWYUCPJKJOLH-UHFFFAOYSA-N 365.461 3.255 10 40 FGCB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccc(Cl)cc1C(F)(F)F 34926814 BSLDQXNIFNAYTD-MRVPVSSYSA-N 368.789 3.204 10 40 FGCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc(C(=O)O)cc1 20226999 TUENEEVIKGZPNL-ZROIWOOFSA-N 368.370 3.165 10 40 FGCB COc1cc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)ccc1O 20227034 OVFQSEBBFNMNEZ-DHDCSXOGSA-N 370.386 3.181 10 40 FGCB CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 4409495 YDUQVCCWGCFDAO-BJOOFOGMSA-N 357.454 3.112 10 40 FGCB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O 409146122 JQRJVQHFIUATPN-PILJQMSFSA-N 364.442 3.497 10 40 FGCB COc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1C(=O)O 33714221 QTESZONRNLVTAY-GDNBJRDFSA-N 354.387 3.476 10 40 FGCB COc1ccc(-c2nnc3n2N[C@@H](c2ccc(N(C)C)cc2)S3)cc1 3843152 VBJVZYNXZDIZTG-QGZVFWFLSA-N 353.451 3.368 10 40 FGCB biogenic CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)O)cc1 3864954 ALLGVQKYHNEWOC-IBGZPJMESA-N 365.433 3.295 10 40 FGCB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(F)cc3)C(=O)NC2=S)cc1C 5626012 LULOQOAHIIJKSX-MHWRWJLKSA-N 369.421 3.186 10 40 FGCB COC(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)nc1C 89536998 WPIGPBIFLNHXBF-UHFFFAOYSA-N 357.479 3.342 10 40 FGCB COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)cc1OC 1250584 PTHKUDUHPWJYGZ-FMIVXFBMSA-N 370.336 3.350 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 13576304 PXSWFOGPJIACMA-JLHYYAGUSA-N 356.765 3.015 10 40 FGCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1 2313195 ZJRWLTHJPLIGTL-ZROIWOOFSA-N 358.444 3.443 10 40 FGCB COC(=O)c1c(NC(=O)[C@H]2CC(=O)Nc3ccccc32)sc2c1CCC2 95947158 CJWKPBJSBHNTBK-LBPRGKRZSA-N 370.430 3.088 10 40 FGCB CC(C)C[C@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 2090526 AZGRIGAFRKZOIP-INIZCTEOSA-N 355.390 3.241 10 40 FGCB biogenic CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 113832665 IFJCMGOWUHGYTO-QGOAFFKASA-N 364.401 3.450 10 40 FGCB NC(=O)[C@@H]1CCCN(c2ccc(CNc3ncnc4sccc34)cc2)C1 54124366 UZXMFEYIXNYNML-CQSZACIVSA-N 367.478 3.005 10 40 FGCB COc1ccc(N2CCN(C[C@H](O)c3cn(C)c4ccccc34)CC2)cc1 19290380 YELZBQITRZYTKB-QFIPXVFZSA-N 365.477 3.043 10 40 FGCB CCN1C(=O)/C(=C/c2cc(Br)c3c(c2)OCO3)SC1=S 96662756 CUJSGCQVPOYYCE-YHYXMXQVSA-N 372.265 3.399 10 40 FGCB CN1CCc2cc([C@H](CNC(=O)NC3CCCCC3)N3CCCC3)ccc21 35597206 IZYMFTAQBBGXJX-NRFANRHFSA-N 370.541 3.448 10 40 FGCB Cc1ccc(CSCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13675823 UPNWJSKWKVFCPP-UHFFFAOYSA-N 370.518 3.381 10 40 FGCB Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCCO2 27900605 QAKIEWCOQPMSTG-KBXCAEBGSA-N 370.449 3.163 10 40 FGCB CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 409345924 MDZAEJXRLZLMRY-SEEODLKFSA-N 351.449 3.150 10 40 FGCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2O)C1=O 408893311 DSMRSBUTAHNVMZ-MDWZMJQESA-N 356.765 3.020 10 40 FGCB COc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(C2CCCC2)C1=O 409206449 JTQSBRMJBGBZAP-ATVHPVEESA-N 364.401 3.253 10 40 FGCB CC(=O)NN1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S 256055556 LBQLUFUFRKKCSM-GHXNOFRVSA-N 363.851 3.141 10 40 FGCB CN(C)c1ccc(CNC(=O)Nc2cccc(NC(=O)NC3CC3)c2)cc1 27352012 KJCMDKCUZYOTCM-UHFFFAOYSA-N 367.453 3.358 10 40 FGCB CCN1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccccc1O)N2 15830053 MSJZEKXPWLTOGQ-GOSISDBHSA-N 365.477 3.434 10 40 FGCB biogenic COc1cc(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)cc(OC)c1OC 95946137 CQBPLXZJWZPDTJ-INIZCTEOSA-N 370.405 3.116 10 40 FGCB COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 15008537 RCNIHQCEESFEHK-RVDMUPIBSA-N 370.455 3.241 10 40 FGCB O=C1/C(=C/c2ccc3c(c2)OCO3)C(O)=NC(=S)N1c1ccccc1F 1101010 KQEZEUFRLZPYAE-YRNVUSSQSA-N 370.361 3.226 10 40 FGCB CCOc1ccc(/C=C2/SC(=S)N([C@@H](CC)C(=O)O)C2=O)cc1 27530425 SNMPVKBQCAFOTE-OQZOHAQUSA-N 351.449 3.150 10 40 FGCB CCCCN1C(=O)/C(=C/c2ccc(-n3cncn3)c(F)c2)SC1=S 96942874 IYKOTJGLLZAYLV-ZSOIEALJSA-N 362.455 3.408 10 40 FGCB COc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1O 409197975 SYSAFRPLMXMNJK-OQLLNIDSSA-N 360.460 3.357 10 40 FGCB O=C(Nc1c(-c2ccccn2)nc2ccccn12)c1cnc2n1CCCC2 89883967 OORGAPJCBXEWFD-UHFFFAOYSA-N 358.405 3.181 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@]34CC[C@@](C)(C(=O)C3)C4(C)C)CC2)cc1 100834736 OEMWHHCDKIGSNN-VXKWHMMOSA-N 370.493 3.129 10 40 FGCB CN1CCc2cc([C@H](CNC(=O)Nc3ccc(F)cc3)N(C)C)ccc21 35597192 HCVDSQAUSTUSGJ-IBGZPJMESA-N 356.445 3.242 10 40 FGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCCc1ccc(F)cc1 100429817 BMIQVYLWKRYMTK-LDADJPATSA-N 368.368 3.173 10 40 FGCB O=C1N=C(S)N(Cc2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1F 103121235 YPYAUWYBWSSJOQ-LCYFTJDESA-N 373.384 3.115 10 40 FGCB N=C1/C(=C\c2ccc(F)cc2)C(=O)N=C2SC(c3ccc(O)cc3)=NN12 18022383 POKNRSKZTFQTLB-VTSIDWRSSA-N 366.377 3.199 10 40 FGCB CC(C)CCNC(=O)CSc1nc(-c2ccc(O)c(O)c2)cs1 12173565 ZHYRQTFEPBEVDI-UHFFFAOYSA-N 352.481 3.476 10 40 FGCB COc1ccc(N2CCN(C(=O)COc3ccc(Cl)c(C)c3)CC2)cc1 3607937 LYIXVSQMTRFBBL-UHFFFAOYSA-N 374.868 3.385 10 40 FGCB CCOc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1OC 13575190 VXLGTXVECRRLKZ-GDNBJRDFSA-N 372.808 3.209 10 40 FGCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(O)cc2)C(=O)NC1=S 4689510 MDPCPCMSMQDRRB-UKTHLTGXSA-N 372.833 3.185 10 40 FGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 408883061 SWUXVMFVLRGCHV-OQLLNIDSSA-N 356.765 3.015 10 40 FGCB COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O 13615682 YKYFJYMYKGSYIJ-ZROIWOOFSA-N 363.200 3.463 10 40 FGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1829365 PCXNIDMYQSYNFU-HQQGHWSLSA-N 371.480 3.233 10 40 FGCB COc1ccc(/C=C2/C(=O)N(CCc3ccc(F)cc3)C(=O)N=C2O)cc1 17028175 WUNYBRVRLVWSGI-SFQUDFHCSA-N 368.364 3.379 10 40 FGCB O=C(O)[C@@H]1CS[C@H](c2ccccc2O)N1Cc1cc(Cl)ccc1O 4681208 TWADQDKHELMUTE-XJKSGUPXSA-N 365.838 3.452 10 40 FGCB CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(C)c2C)C(=O)N=C1S 8914513 MBZSPLNEOFNLJF-WJDWOHSUSA-N 367.474 3.447 10 40 FGCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cn2ccnc2)cc1 44911139 KUQUAPZJUOWCBH-UHFFFAOYSA-N 360.461 3.462 10 40 FGCB COc1cc(NS(=O)(=O)c2cccc3nsnc23)c2ncccc2c1 821817 KZWWEGJMYGYLRS-UHFFFAOYSA-N 372.431 3.049 10 40 FGCB Cc1ccc(O)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CCC(=O)O)c1 80316254 XKYABLFCULTFLX-KRWDZBQOSA-N 370.380 3.382 10 40 FGCB Oc1ccccc1CN1CCN(C(O)(c2ccccc2)c2ccccc2)CC1 19361837 JVFRFFOOSNRDIS-UHFFFAOYSA-N 374.484 3.403 10 40 FGCB COc1cccc([C@@H](c2cc3c(cc2O)OCO3)N2CCCC2)c1OC 3053346 ZJOONADJXGMGJZ-IBGZPJMESA-N 357.406 3.323 10 40 FGCB C[C@H]1Cc2cc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)ccc2O1 16810410 ZLALLAXUWUMLAU-ADVUTCEVSA-N 363.460 3.076 10 40 FGCB CC[C@@H](C)N1C(=O)/C(=C/Nc2cccc(C(F)(F)F)c2)C(=O)NC1=S 9349851 WZJUDUYVANMNHB-YXYQAXARSA-N 371.384 3.043 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)ccc1O 21963248 RHEXIZULAPJKBK-UHFFFAOYSA-N 360.841 3.154 10 40 FGCB COc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1OC(F)F 8171140 TVNYLGVWYHSMOG-UHFFFAOYSA-N 350.365 3.293 10 40 FGCB CC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccc(OC)cc2)CC1 57669851 BJYHINAFNZVHGH-SFHVURJKSA-N 372.517 3.100 10 40 FGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2226083 ZDMIDMZFBBFZMA-LCFDYFRESA-N 361.448 3.017 10 40 FGCB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1C 408966927 RHYKKUAFUHWLJX-WOJGMQOQSA-N 365.433 3.408 10 40 FGCB C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 4727488 ABARDPINZXVMIK-YFMVFKIRSA-N 357.425 3.458 10 40 FGCB C[C@@H]1Cc2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)ccc2O1 2200403 ZLALLAXUWUMLAU-GMROUXNLSA-N 363.460 3.076 10 40 FGCB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccc(N(C)C)cc1 10433370 DOUVTUHHBDYJKY-UHFFFAOYSA-N 357.479 3.401 10 40 FGCB COc1ccc(N2CCN(C[C@@H](O)c3c[nH]c4ccccc34)CC2)cc1 20358268 FQWQGJWISRBVCO-OAQYLSRUSA-N 351.450 3.032 10 40 FGCB CN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)NC1=S 408919377 XBSCNHJMXCBEOU-XYOKQWHBSA-N 374.506 3.244 10 40 FGCB NC(=O)[C@H]1CCCCN1Cc1c(O)ccc2cc(Br)ccc12 14075680 MVAJTIJLBTWYGB-OAHLLOKOSA-N 363.255 3.148 10 40 FGCB O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC1CCCCCC1 57452122 CYKUIYMDZJXQHC-UHFFFAOYSA-N 359.514 3.417 10 40 FGCB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 4648602 GGYRIVWUSYQLGY-MLDYKZIASA-N 374.462 3.275 10 40 FGCB Cc1cc(C)c(O)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 89568880 NQOIPLMFMQWAGE-UHFFFAOYSA-N 354.450 3.056 10 40 FGCB COc1ccc([C@]2(O)CN(c3cc(C)ccc3C)C3=[N+]2CCCS3)cc1 3912334 RKWPMRBXXBSFPZ-OAQYLSRUSA-N 369.510 3.483 10 40 FGCB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccccc1 4950277 MADLWADDXPOECX-UVTDQMKNSA-N 358.419 3.372 10 40 FGCB CN1CCN(c2ccc(CNC(=O)CCSc3ccccc3)cc2)CC1 216929473 PQCLPTQVBVROMI-UHFFFAOYSA-N 369.534 3.237 10 40 FGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 223698361 HQRTUYYWLKIOLQ-MRXNPFEDSA-N 374.506 3.410 10 40 FGCB Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(N(C)C)cc1)N1CCC1=O 1020784 MLLJJRAOEAKBBB-HXUWFJFHSA-N 351.450 3.282 10 40 FGCB Oc1c([C@@H](c2ccccn2)N2CCOCC2)cc(Cl)c2cccnc12 19879782 IVBVBQKSDVSGEA-SFHVURJKSA-N 355.825 3.410 10 40 FGCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2O)C1=O 408890467 UGGBGHPBKMRKBB-FMIVXFBMSA-N 356.765 3.020 10 40 FGCB COc1ccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)c([N+](=O)[O-])c1 5853126 MQADWOIOVQWWNA-UHFFFAOYSA-N 373.317 3.083 10 40 FGCB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2)c(O)c1 810504 QZWKAXUXSCFPRV-QGZVFWFLSA-N 370.405 3.116 10 40 FGCB O=C(O)Cc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 27530356 MWLGWJPCDPRJIM-RIYZIHGNSA-N 356.428 3.115 10 40 FGCB O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1ccc[nH]1 95377614 QNSPDANRDJLJOU-GFCCVEGCSA-N 353.344 3.170 10 40 FGCB COc1ccc(Cc2cc(O)n3ncc(C(=O)Nc4ccccc4)c3n2)cc1 19555924 MCLXPFFXEKDUDH-UHFFFAOYSA-N 374.400 3.287 10 40 FGCB Cc1cc(C)n(CCCN(C)Cc2ccc(N3CCOCC3)cc2C)n1 19719798 YANREIFPACBDLK-UHFFFAOYSA-N 356.514 3.167 10 40 FGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccccc1Cl 408993703 FBKIOKPDARKFAJ-UHFFFAOYSA-N 371.824 3.181 10 40 FGCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cccc(Br)c1 408812438 ORYICWNLSKEKAM-AUWJEWJLSA-N 360.211 3.037 10 40 FGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2O)C1=O 408893761 HJHNEFUGCDFWOB-UKTHLTGXSA-N 356.765 3.020 10 40 FGCB CCCCc1cc(=O)oc2c(CN3CCOCC3)c(O)c(Cl)cc12 79481832 ZYFZGGITYJDVGP-UHFFFAOYSA-N 351.830 3.327 10 40 FGCB Oc1ccc(Cl)cc1C1=NC2(CCNCC2)N[C@@H](c2ccccc2O)C1 15830202 XWRFAPAMEKGFSG-MRXNPFEDSA-N 371.868 3.355 10 40 FGCB O=C(C1=CN(c2ccccc2)c2cc(F)ccc2S1(=O)=O)N1CCCC1 48988567 RLNZGFGADOOOTJ-UHFFFAOYSA-N 372.421 3.215 10 40 FGCB Cc1ccc2ncc(C(=O)NCc3ccc(N4CCSCC4)cc3)n2c1 90229988 RUKRHJZHZDIWPY-UHFFFAOYSA-N 366.490 3.126 10 40 FGCB O=C1N=C(O)N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(O)c(Cl)c1 17045061 XTIAERWYDGPRBL-SDQBBNPISA-N 360.728 3.056 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409136633 XYBBCVMETFMXPI-QGOAFFKASA-N 365.408 3.468 10 40 FGCB CC(C)c1c(C(=O)NCc2ccc(N(C)C)cc2)cnn1-c1ccccn1 32914246 MVBYBWKUINPZCO-UHFFFAOYSA-N 363.465 3.387 10 40 FGCB COc1ccc([C@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCS3)cc1 3912328 XPOMTOZRMZOHMO-OAQYLSRUSA-N 369.510 3.483 10 40 FGCB NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 4718538 FRZVWENMAQXFAK-VEVIJQCQSA-N 371.418 3.069 10 40 FGCB CCOC(=O)C1CCN(/C=C2\SC(=S)N(CCC(C)C)C2=O)CC1 30819355 CNTHFZLNAPXRTF-KAMYIIQDSA-N 370.540 3.009 10 40 FGCB Cc1ccc(C)c(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c1 409246074 DMPZNDYRHYWTQO-ZXPNPXPCSA-N 352.415 3.284 10 40 FGCB O=C([C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1)N1CCCCC1 199431199 FHPZKBLURLDNSZ-IBGZPJMESA-N 366.461 3.037 10 40 FGCB O=C(COc1cccc(/C=C2\SC(=S)NC2=O)c1)Nc1ccccc1 15056003 DFNXKVLMEYZICO-GDNBJRDFSA-N 370.455 3.193 10 40 FGCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1c[nH]nc1-c1ccc(Cl)cc1 36386283 ZPCYPQCDZJTKES-UHFFFAOYSA-N 372.768 3.274 10 40 FGCB COc1ccccc1N1C(=O)/C(=C\c2c[nH]c3ccccc23)C(=O)N=C1O 8837523 MKCZKJRFDCYZPU-UVTDQMKNSA-N 361.357 3.047 10 40 FGCB COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)C(=O)NC2=S)cc1 408759388 DFDMVGSWTKLHHQ-GDNBJRDFSA-N 372.833 3.180 10 40 FGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(OC)c1O 33699268 GQAKFTUKVOHTMR-PTNGSMBKSA-N 357.406 3.016 10 40 FGCB CC(C)c1nc2ccc(NS(=O)(=O)c3cccc4nonc34)cc2[nH]1 94993029 HOGSXEKTTJJDBC-UHFFFAOYSA-N 357.395 3.023 10 40 FGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Cl 209578866 HPLVTXAMPPNFEI-LCYFTJDESA-N 370.792 3.323 10 40 FGCB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 1431397 ALUWMGQAGACOIG-LJQANCHMSA-N 361.449 3.137 10 40 FGCB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC 7124610 HHQGYQDDCKTDAQ-UHFFFAOYSA-N 354.273 3.171 10 40 FGCB COc1ccc(-c2csc(NNS(=O)(=O)c3ccccc3)n2)cc1 1415072 MBEVNDLNOQCUAD-UHFFFAOYSA-N 361.448 3.124 10 40 FGCB O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)c1ccc[nH]1 95377613 QNSPDANRDJLJOU-LBPRGKRZSA-N 353.344 3.170 10 40 FGCB COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]21 19569201 ULRGCDBKRHSJJE-TVTNDZMWSA-N 369.461 3.226 10 40 FGCB Cc1cccc(N/C=C2\C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)c1 2837223 ZAPPTKCNVSFYAP-GZTJUZNOSA-N 363.417 3.499 10 40 FGCB COc1cc2c(cc1NCC(=O)N1CCO[C@H](C)C1)oc1ccccc12 46487404 ZJPSWFMLSHLRQU-CYBMUJFWSA-N 354.406 3.254 10 40 FGCB Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108995510 MGWRVOLIJAFEJP-ATVHPVEESA-N 365.408 3.196 10 40 FGCB C[C@H]1Cc2cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)ccc2O1 16810402 SLRHMOTXUQRWIT-HYVRMBPPSA-N 361.488 3.390 10 40 FGCB Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1-c1cccc(F)c1 8231639 SPRHIVUTKMOLPU-UHFFFAOYSA-N 371.441 3.163 10 40 FGCB CCN(CC)c1ccc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 79390102 PNDFFNJVGXMIGA-UHFFFAOYSA-N 372.465 3.489 10 40 FGCB COc1cccc(Cc2cc(O)n3ncc(C(=O)Nc4ccccc4)c3n2)c1 19565721 ZPPCQQVAZFRECJ-UHFFFAOYSA-N 374.400 3.287 10 40 FGCB CCc1ccc([C@]2(O)CN(c3ccc(OC)cc3)C3=[N+]2CCCS3)cc1 2965934 UNTOYFGODVPQDZ-OAQYLSRUSA-N 369.510 3.428 10 40 FGCB Cc1c(O)c(CN2CCOCC2)cc2c(-c3ccccc3)cc(=O)oc12 20411950 ZNXLLDDIEPQVKV-UHFFFAOYSA-N 351.402 3.306 10 40 FGCB CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc23)C(O)=NC1=S 6950743 RITOAERVRKPLOE-XNTDXEJSSA-N 370.430 3.344 10 40 FGCB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(O)cc2O)N3)C1 6358285 NFHHWKGVOMYELI-MRXNPFEDSA-N 359.451 3.355 10 40 FGCB COC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 5123931 QOXXDDVRPQWSHD-UYRXBGFRSA-N 363.417 3.345 10 40 FGCB CCCC[C@@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 11865496 YTWACHHBSSXCNS-MRXNPFEDSA-N 355.390 3.385 10 40 FGCB Cn1ccnc1[C@H](NC(=O)CSc1nccs1)c1ccccc1F 32932264 CSOKFFUWXSXJEF-CQSZACIVSA-N 362.455 3.014 10 40 FGCB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccc(O)cc1 1240650 CBDWMOHTVDSCOP-ZROIWOOFSA-N 374.418 3.078 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/NCCC3=CCCCC3)C2=O)cc1C 6199554 RFWHKNDDAKMOOV-AQTBWJFISA-N 367.449 3.250 10 40 FGCB COc1ccc([N+](=O)[O-])cc1N/C=C1\C(=O)N(c2ccc(F)cc2)N=C1C 5433579 FCCKHRAECDCVLZ-GDNBJRDFSA-N 370.340 3.461 10 40 FGCB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccccc2F)SC1=S 35040342 WDYBRRZAHMWKKT-RVDMUPIBSA-N 372.446 3.301 10 40 FGCB CC(=O)NC1=NC(=O)/C(=C\c2cccc(OCc3ccccc3)c2)S1 5851053 SIZNXDSJXWBVAF-GZTJUZNOSA-N 352.415 3.372 10 40 FGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 4745932 VODYDPBUAABDHZ-XATLRAQKSA-N 369.489 3.243 10 40 FGCB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(N(C)C)cc1 7365453 FLYSCZIPEBOIGL-UHFFFAOYSA-N 355.467 3.426 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 12534064 MDLPOVRGDQKWKX-UHFFFAOYSA-N 353.466 3.411 10 40 FGCB COCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 4736932 CEGGSNITFYJGCB-CYVLTUHYSA-N 367.424 3.477 10 40 FGCB CCCN(CCC)c1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1 16678218 VSJRWNCXGRVDSZ-JXMROGBWSA-N 358.398 3.181 10 40 FGCB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2c(c1)C(C)=CC(C)(C)N2C 169681361 QKNFBKSBGSSLGK-KRWDZBQOSA-N 355.438 3.119 10 40 FGCB O=c1/c(=C\c2ccc(N3CCCC3)c(F)c2)sc2nc3ccccc3n12 4516836 RLZLUCFBTYEHOM-LDADJPATSA-N 365.433 3.196 10 40 FGCB COc1cccc(CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)c1O 19567229 DGVVYFHIEXIKQZ-PMACEKPBSA-N 352.478 3.292 10 40 FGCB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccc2c(c1)OCO2)C3 2158525 FYOMDRIUOOPTJR-UHFFFAOYSA-N 363.369 3.367 10 40 FGCB biogenic COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1OC 13748822 SYSXSSAYZBCQMW-OJLMPMFISA-N 365.476 3.084 10 40 FGCB COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1O 408936676 HDMKPZLXWPKGEN-RIYZIHGNSA-N 370.792 3.496 10 40 FGCB COC(=O)c1cccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)c1 4465413 RLAKFLOUJJZSSZ-RIYZIHGNSA-N 356.428 3.274 10 40 FGCB COc1ccc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)c(OC)c1 6952325 ZREPMPYOVNWGPZ-MRXNPFEDSA-N 374.487 3.070 10 40 FGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)c1 9165470 FAVDKQUYFPXSKF-MHWRWJLKSA-N 359.385 3.451 10 40 FGCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1C(=O)O 408768434 JBPDKZGJSWBVLU-ATVHPVEESA-N 369.417 3.390 10 40 FGCB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc2c(c1)OCCO2)C3 2123173 UDCHVYDSGMLPDU-UHFFFAOYSA-N 365.385 3.483 10 40 FGCB biogenic CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 4409493 YDUQVCCWGCFDAO-XHBKTUGNSA-N 357.454 3.112 10 40 FGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(OC)c1O 408892743 JIXBKUVTZBJTIQ-GDNBJRDFSA-N 359.422 3.120 10 40 FGCB Cc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1[N+](=O)[O-] 4472945 QFJHGRKTXSTFRH-YBEGLDIGSA-N 351.362 3.314 10 40 FGCB O=C1N=C(O)/C(=C/NCc2ccc(F)cc2)C(=O)N1C1CCCCCC1 103118061 JLUWCELTJZPRBB-VBKFSLOCSA-N 359.401 3.441 10 40 FGCB COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1C 409132571 KSBKDBGKSOZWGD-WJDWOHSUSA-N 352.415 3.404 10 40 FGCB CC1=NN(C(=O)c2ccc(C)cc2)C(=O)[C@H]1/N=N/c1ccccc1C(=O)O 102951944 AUHYMQXXPORJMG-BZROSYFNSA-N 364.361 3.204 10 40 FGCB O=C1C[C@H](c2ccc(O)c(O)c2)c2c(c(C(=O)O)cn2-c2ccccc2)N1 61718138 HPDOZENAJFPRPJ-CYBMUJFWSA-N 364.357 3.061 10 40 FGCB COc1cccc([C@@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)c1O 9549866 CSNVYLNARRPUNK-INIZCTEOSA-N 355.419 3.481 10 40 FGCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccc(Cl)cc1C(F)(F)F 34926815 BSLDQXNIFNAYTD-QMMMGPOBSA-N 368.789 3.204 10 40 FGCB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 409014616 XPGHZXCECJPSRM-NTUHNPAUSA-N 363.391 3.372 10 40 FGCB Cc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 225839799 ZUUPEWHYJWSCGH-OAHLLOKOSA-N 356.495 3.274 10 40 FGCB Cc1ncsc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 55531544 FXCLRFBRXXFFRC-RYUDHWBXSA-N 363.458 3.134 10 40 FGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc2ccccc2[nH]1 2119684 KEOWOXPHGZJGME-XNTDXEJSSA-N 365.776 3.488 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 408815479 RKJJOMUZGMVGDG-OQLLNIDSSA-N 356.765 3.015 10 40 FGCB C[C@H]1CN(C2=NC(=O)/C(=C/c3c[nH]nc3-c3ccccc3)S2)C[C@@H](C)O1 16713895 CUBAANKEPOUECM-GQTRWRLGSA-N 368.462 3.156 10 40 FGCB CN(Cc1ccccc1O)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 47504469 NVWVWQMVXGDGME-UHFFFAOYSA-N 361.785 3.040 10 40 FGCB CCOC(=O)c1sc(C)c2c1N[C@@H](c1ccc(N(C)C)cc1)NC2=O 2303388 QUANLPDNWDCGIB-MRXNPFEDSA-N 359.451 3.153 10 40 FGCB O=C1NC(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)s2)C(=O)N1 5554966 FLRFVDCETUISIL-UHFFFAOYSA-N 367.213 3.471 10 40 FGCB COc1ccc([C@]2(O)CN(c3ccccc3C)C3=[N+]2CCCS3)cc1 2966062 UWMBOGBPOKQPEL-HXUWFJFHSA-N 355.483 3.174 10 40 FGCB O=C(NN1C(=O)/C(=C\c2ccccc2F)SC1=S)c1ccccc1 28048215 UNZDEOGHXDBEGA-GXDHUFHOSA-N 358.419 3.372 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1Cl 4783821 WTMOHMGNLGJZOQ-UKTHLTGXSA-N 362.813 3.143 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100044346 BDDPTXUJAHRQKM-YBEGLDIGSA-N 367.321 3.222 10 40 FGCB Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c2ccccc12 11635119 YCOMZYIMXAZZQD-UHFFFAOYSA-N 357.387 3.353 10 40 FGCB O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)NCc1ccco1 29922774 BRFHLRALILNAEM-UHFFFAOYSA-N 354.328 3.247 10 40 FGCB O=C1NC(=S)S/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1 408530467 LXJWPUADZJNNOW-DHDCSXOGSA-N 371.439 3.453 10 40 FGCB Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1 1279533 AFBUHRCNZRSENG-OQLLNIDSSA-N 357.410 3.330 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)cc1 3547549 XNZRPUHHMGJODJ-UHFFFAOYSA-N 362.376 3.259 10 40 FGCB COC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1237723 PTCVGKFSRZVOTO-WMZJFQQLSA-N 362.259 3.368 10 40 FGCB CCOC(=O)c1ccc(NNC(=S)Nc2ccccc2)c([N+](=O)[O-])c1 5560408 FJZUAOPVQAFUFR-UHFFFAOYSA-N 360.395 3.085 10 40 FGCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/C=C/c3ccco3)C2=O)c1 8995207 SAXIHYRQBAZXDF-LGMZDBLJSA-N 368.345 3.360 10 40 FGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc[nH]n3)c2C)cc1C 48265746 UMBZONIJWSAAEZ-UHFFFAOYSA-N 351.406 3.474 10 40 FGCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)o1 4356954 XGFCWODMRSKYBM-NTUHNPAUSA-N 361.400 3.398 10 40 FGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 408804618 YYAZNJLJKMTQEL-GHRIWEEISA-N 350.374 3.142 10 40 FGCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C(O)=NC(=S)N1c1ccccc1F 59135703 IKUHVQCOENWFSE-FMIVXFBMSA-N 371.349 3.406 10 40 FGCB CCc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccc(F)cc32)cc1 64979181 IGODHZMDXZJNHA-UHFFFAOYSA-N 361.394 3.328 10 40 FGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C(=O)O)cc1 14010496 VCAXJJYXYYTEEN-YBEGLDIGSA-N 357.406 3.104 10 40 FGCB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1O 9322412 QSCBDOWAONGNGZ-ORAYPTAESA-N 354.406 3.146 10 40 FGCB CC(C)C[C@@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 2090528 AZGRIGAFRKZOIP-MRXNPFEDSA-N 355.390 3.241 10 40 FGCB biogenic COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Cl 408780189 VBEUCEKKHLTDPY-FLIBITNWSA-N 374.755 3.154 10 40 FGCB Cc1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)o1 26840967 VMBUFIAMBURXSS-UVTDQMKNSA-N 358.444 3.063 10 40 FGCB Oc1cc(C2CCN(Cc3ccccc3O)CC2)nc(-c2ccccn2)n1 72392816 GLSQQCFXEHVLTO-UHFFFAOYSA-N 362.433 3.329 10 40 FGCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 8053858 FZOXCRKIOOBYKW-UUASQNMZSA-N 358.444 3.312 10 40 FGCB CCCOc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408885257 YJBWYLRMMLCPJM-SSZFMOIBSA-N 366.442 3.307 10 40 FGCB O=C(O)CCCCCN1C(=O)/C(=C/c2ccccc2O)SC1=S 1908294 QRBSZNBHIQXSRW-RAXLEYEMSA-N 351.449 3.238 10 40 FGCB C[C@@H]1Sc2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2NC1=O 18214879 HMFREPGHGCJCIX-LBPRGKRZSA-N 355.463 3.115 10 40 FGCB Oc1ccccc1CN1CCOC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 72322084 DSCVZGJJOZUSHO-SFHVURJKSA-N 353.397 3.495 10 40 FGCB biogenic,in-vitro O=C(O)CN1C(=O)/C(=C\c2cccc(OC3CCCC3)c2)SC1=S 55038007 LSJUSBONAYGTGU-NTEUORMPSA-N 363.460 3.294 10 40 FGCB O=C1N=C(N2CCOCC2)S/C1=C/c1cc(Cl)c(O)c(Cl)c1 1237229 PRXJNGXCSJOWMV-YRNVUSSQSA-N 359.234 3.002 10 40 FGCB CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 12817582 NAFCLNFQZINLLC-XLIONFOSSA-N 351.450 3.498 10 40 FGCB COc1c(C)cnc(CNC(=O)/C=C/c2ccc3c(c2)CCCN3C)c1C 64997531 VLMFXABNHHGLHD-CSKARUKUSA-N 365.477 3.419 10 40 FGCB C[C@H]1Cc2cc(/C=C3/SC(=S)N(C[C@H]4CCCO4)C3=O)ccc2O1 5443022 SLRHMOTXUQRWIT-ZUPVVPIUSA-N 361.488 3.390 10 40 FGCB COC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc4c(c3)OCO4)C2=O)cc1 4723459 HHJGUOQXRIDUGB-SXGWCWSVSA-N 364.357 3.008 10 40 FGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(F)c(C)c2)cc1 225611259 ZNEDUIYGRUKUAU-UHFFFAOYSA-N 350.459 3.459 10 40 FGCB CCCCN1C(=O)NC(=O)/C(=C/c2cn(CCC)c3ccccc23)C1=O 5694861 GGPDNWTZNWFZHM-VBKFSLOCSA-N 353.422 3.313 10 40 FGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl 408777317 YGOVICHWMLATCS-ZROIWOOFSA-N 370.792 3.323 10 40 FGCB CCN(CC)c1ccc(CN(C)C(=O)c2cnn(-c3ccccc3)n2)cc1 9932475 LZPNKWLLRDCSCV-UHFFFAOYSA-N 363.465 3.386 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 29502627 HSIZVUKYXUQSBO-UHFFFAOYSA-N 366.425 3.009 10 40 FGCB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1C 20049669 APPHFLKBGHMTGA-SFHVURJKSA-N 368.477 3.224 10 40 FGCB CCN1C(=O)C(=Cc2ccc(-c3cccc(F)c3)o2)C(=O)N(CC)C1=S 2368630 DIUQEPKCMAYCTQ-UHFFFAOYSA-N 372.421 3.465 10 40 FGCB CC(C)C[C@@H]1NC(=O)N(CN(C)Cc2ccc(N3CCCCC3)cc2)C1=O 23641804 JMCNZTJGOAIWJN-IBGZPJMESA-N 372.513 3.033 10 40 FGCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccco1 409103859 XENJPPZURKFKSE-VQHVLOKHSA-N 351.145 3.253 10 40 FGCB CCOc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2SCCC3)cc1 2965975 BIUHXHVHWYWBSV-HXUWFJFHSA-N 355.483 3.256 10 40 FGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C3CCC3)c2C)cc1 7985457 OVMSVTUGIVZIBH-UHFFFAOYSA-N 369.417 3.407 10 40 FGCB CCCCOc1ccc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1 2123698 HIJGQVACAXMRNO-UHFFFAOYSA-N 360.479 3.244 10 40 FGCB Cc1ccc(N2NC(=O)/C(=C\C=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1C 779700 ZVPZZPNUJOTKPN-MTEHDHEFSA-N 363.373 3.229 10 40 FGCB CN1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccccc1O)N2 64775572 NPHQUWAQGKHKPK-QGZVFWFLSA-N 351.450 3.043 10 40 FGCB biogenic O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)Nc1ccccc1 4522215 SDMCEPFAHUNUAV-UHFFFAOYSA-N 363.394 3.263 10 40 FGCB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 6007547 RHSYBTCGCHMKMY-FSEMZKDTSA-N 372.265 3.123 10 40 FGCB CCN1C(=O)C(=CNc2ccccc2-c2ccccc2)C(=O)N(CC)C1=O 5557274 FIWAFKIOGTXRBQ-UHFFFAOYSA-N 363.417 3.480 10 40 FGCB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1cccnc1Cl 36635240 BDGIOZDUTLDEGL-GFCCVEGCSA-N 361.810 3.332 10 40 FGCB COc1ccc(N2CCN(CC(=O)c3c[nH]c4ccc(C)cc34)CC2)cc1 35448447 FCSSWTQATQKULE-UHFFFAOYSA-N 363.461 3.490 10 40 FGCB COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)ccc34)CC2)cc1 54105889 FTUWCQPJUQDEDM-UHFFFAOYSA-N 364.445 3.432 10 40 FGCB biogenic CC1CCN(C(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)CC1 4745370 OCEFQKZDXYMMMJ-UKTHLTGXSA-N 366.533 3.208 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 24236816 CFWHKDLXBAPPHC-UHFFFAOYSA-N 370.409 3.095 10 40 FGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(F)(F)F)cc1 5774261 LJPPZBAZUPSFBX-UVTDQMKNSA-N 360.291 3.372 10 40 FGCB Cc1csc(=O)n1CCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 12816540 PONCXIWIHDRNEL-UHFFFAOYSA-N 373.522 3.257 10 40 FGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)c1 408893292 DPAGLWJWOJOLHU-NTEUORMPSA-N 356.765 3.020 10 40 FGCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S 35648531 FAAGTJHTKMANHP-JFBXQDQPSA-N 359.428 3.177 10 40 FGCB CN1CCN(c2ccc(CNC(=O)c3ccc4c(c3)CCCC4)cc2)CC1 225634588 OATVJOJDENYACD-UHFFFAOYSA-N 363.505 3.247 10 40 FGCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N3CCCCCC3)sc2n1 10644839 BHACWEZIWAAQFP-UHFFFAOYSA-N 361.467 3.055 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(F)cc3)C2=O)cc1C 9350990 NDKHXJDZESTRET-YBEGLDIGSA-N 353.353 3.021 10 40 FGCB CCCN1C(=O)/C(=C\c2cc(OCC)c(O)c([N+](=O)[O-])c2)SC1=S 409338343 IEEHDVZLBSHUAK-XYOKQWHBSA-N 368.436 3.310 10 40 FGCB COc1ccc(-c2coc3c(CN4CCCOC4)c(O)ccc3c2=O)cc1 32501397 UJHDQUVTSSTEHX-UHFFFAOYSA-N 367.401 3.354 10 40 FGCB biogenic CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 408902551 JQSFTBPEVLPVLB-LFIBNONCSA-N 368.364 3.279 10 40 FGCB CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1cccc(OC)c1O 19527140 QQCVBXXKNLFWMZ-IBGZPJMESA-N 355.482 3.282 10 40 FGCB COc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1OCC(C)C 41078331 OQVOWXJUYXXBDR-JDSIUFIHSA-N 355.394 3.180 10 40 FGCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(Br)cc3)C2=O)cc1 4471682 NLIRNWUZRHAAJR-GDNBJRDFSA-N 357.207 3.219 10 40 FGCB CCOc1ccc(N2CCN(C(=O)Nc3ccccc3OC)CC2)cc1 2022095 BIBKKQMXXKHMMP-UHFFFAOYSA-N 355.438 3.448 10 40 FGCB CCOc1ccc([C@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1 4176385 COUWGFIAMAUTJC-OAQYLSRUSA-N 369.510 3.252 10 40 FGCB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=S)NC2=O)o1 2772617 BIGONBPUJRNZQC-QPEQYQDCSA-N 362.388 3.352 10 40 FGCB CCc1cccc2c(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c[nH]c12 7166484 VCDOJLSJEPRLOC-JYRVWZFOSA-N 360.460 3.406 10 40 FGCB O=C(O)[C@@H]1CCCC[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 5030647 CAVIJGGXNIURPI-NXEZZACHSA-N 370.357 3.373 10 40 FGCB in-vivo COc1ccc2ccc(O)c(CN3CCN(CC(F)(F)F)CC3)c2c1 23254030 IEPZIOAKBPMEEM-UHFFFAOYSA-N 354.372 3.234 10 40 FGCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)N2CCCC2)C1=O 27530468 SRSWDRLIDMCEFW-MHMBTURYSA-N 372.515 3.457 10 40 FGCB CCOC(=O)c1sc(C)c2c1N[C@H](c1ccc(N(C)C)cc1)NC2=O 2303387 QUANLPDNWDCGIB-INIZCTEOSA-N 359.451 3.153 10 40 FGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)s1 408852832 JBUYYRCUSIAGEL-VQHVLOKHSA-N 366.826 3.372 10 40 FGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(N(C)C)cc1 33745757 RAEBYNMVCTVTTH-AQTBWJFISA-N 354.450 3.368 10 40 FGCB CC(C)OC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 2068627 XUQUBCPTEKVGEB-RGEXLXHISA-N 352.434 3.475 10 40 FGCB COc1ccc([C@@]2(O)CN(c3cccc(C)c3C)C3=[N+]2CCCS3)cc1 3912329 XPOMTOZRMZOHMO-NRFANRHFSA-N 369.510 3.483 10 40 FGCB COCCn1c(C)cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c1C 2061668 WPWJWEMTEFUECW-AQTBWJFISA-N 369.490 3.356 10 40 FGCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)cc1 1013419 MOYUFPFXOZLGFO-PDGQHHTCSA-N 352.438 3.121 10 40 FGCB COC(=O)c1ccc(/C=C2/SC(Nc3ccccc3O)=NC2=O)cc1 16692405 QJEAFRDQESCMFD-XNTDXEJSSA-N 354.387 3.261 10 40 FGCB Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)ccc1[N+](=O)[O-] 5097698 XZWGDCILJXJBSG-IBGZPJMESA-N 370.453 3.002 10 40 FGCB COc1ccc2c(c1)CCCN2CC(=O)Nc1cc([N+](=O)[O-])ccc1C 27579043 ADQTUGBVXZDVAW-UHFFFAOYSA-N 355.394 3.303 10 40 FGCB N#CCOc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 34835250 YNDFOZZGWWXWTQ-RGEXLXHISA-N 369.380 3.204 10 40 FGCB COc1ccc(/C=C2\C(=O)N(C(=O)Cc3ccccc3)N=C2C)cc1OC 5842843 AWHMCSBDKXWJBK-BOPFTXTBSA-N 364.401 3.075 10 40 FGCB N=C1/C(=C\c2ccsc2)C(=O)N=C2SC(c3ccc(O)cc3)=NN12 18099717 QZINTMVWQHJBAG-RMPAWCBFSA-N 354.416 3.121 10 40 FGCB CCCCC(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 5781327 CRVRFNXTLCBIIN-UHFFFAOYSA-N 365.385 3.134 10 40 FGCB CC(C)n1c(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc2c1=O 7236825 YTDHFCAFEDGWEJ-UHFFFAOYSA-N 370.430 3.364 10 40 FGCB Cc1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(C)n1-c1ccccn1 84081392 DAQFULKPKCAAOD-GJZGRUSLSA-N 369.465 3.435 10 40 FGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cc1 6301778 YNOKUXVZDVRRSI-NTEUORMPSA-N 374.443 3.143 10 40 FGCB CN(C)C(=O)N[C@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O 4684884 VTVQJSLLZFZDJG-MRXNPFEDSA-N 366.377 3.209 10 40 FGCB CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C2=O 16740316 UFGLTFJWIVUUGH-BZNIZROVSA-N 355.312 3.098 10 40 FGCB Cc1ccc2cccc(OC(=O)[C@@]34CC[C@](C)(C(=O)C3=O)C4(C)C)c2n1 101423920 XBZNJZUHBRAWLG-NHCUHLMSSA-N 351.402 3.413 10 40 FGCB CCOc1cccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O 5045755 POKKKCMFBUUUDQ-INIZCTEOSA-N 360.498 3.261 10 40 FGCB CC/C(C)=C1\SC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)=NC1=O 5488126 NOIWEJFMEIBRHN-QINSGFPZSA-N 360.439 3.030 10 40 FGCB Cc1cc(C(=O)OCc2nc(N)c3ccccc3n2)c(C)n1-c1ccccn1 84081399 WINKZOZZLGMLBF-UHFFFAOYSA-N 373.416 3.372 10 40 FGCB CN(C)/N=N/c1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)cc1 18061544 FLTUKZXDNDUEPV-DKHHWMATSA-N 356.430 3.453 10 40 FGCB Cc1nc([C@H]2CCN(Cc3cc(C)c(N4CCCC4)cc3C)C2)cc(=O)[nH]1 19567146 RBXWIENUAJQSBS-SFHVURJKSA-N 366.509 3.285 10 40 FGCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCCC1 5370778 UPBXTDYWDMQMLY-ZLRVCTSNSA-N 358.488 3.066 10 40 FGCB O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 5551867 KPALUHNLMDNZNK-GDNBJRDFSA-N 372.446 3.301 10 40 FGCB NS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 4718537 FRZVWENMAQXFAK-JCGVRSQUSA-N 371.418 3.069 10 40 FGCB Nc1nn(C(=O)c2ccccc2)c(N)c1N=Nc1ccc([N+](=O)[O-])cc1 250237261 KSJDVOPPJQOKPZ-UHFFFAOYSA-N 351.326 3.060 10 40 FGCB O=C(NN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)c1cccnc1 1465305 BCGUZLLGRGVCAW-JBZDNPHWSA-N 367.455 3.184 10 40 FGCB [N-]=[N+]=NC[C@H]1OC[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 6006534 IXUXOCVYBHXBOU-ZRNYENFQSA-N 369.421 3.227 10 40 FGCB O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@H]1COCCO1 48678488 BDTVMPYHLFWVTG-CTNGQTDRSA-N 363.413 3.166 10 40 FGCB CCCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)C(C(=O)OC)=C1C 409204620 BRTDFTQFRCOPLA-PTNGSMBKSA-N 359.422 3.264 10 40 FGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1Cl 199411258 VWSRHINRIDNKQW-UHFFFAOYSA-N 351.742 3.392 10 40 FGCB CC1=CSC2=NC(=O)/C(=C\c3ccc(O)c(Br)c3)C(=N)N12 102446454 XYZINOQMWLNVHS-ZTNZKHEOSA-N 364.224 3.322 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(-c2ccsc2)no1 15571956 LFBJKCULQQVULE-UHFFFAOYSA-N 370.478 3.267 10 40 FGCB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)NN=C2C)cc1 17015135 SEMBOAGLCYLNDM-UNOMPAQXSA-N 358.401 3.437 10 40 FGCB Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 113960859 CEDMAUOYDYIGKQ-GOSISDBHSA-N 368.477 3.224 10 40 FGCB O=C(C[C@@H]1SC(=S)N(Cc2ccccc2)C1=O)Nc1ccccc1 9189398 JDGCRPHBJKYHIG-HNNXBMFYSA-N 356.472 3.444 10 40 FGCB COC(=O)C1=CN(c2ccc(C)c(F)c2)c2cc(F)ccc2S1(=O)=O 64979210 CQCURXWQJJHOJU-UHFFFAOYSA-N 365.357 3.213 10 40 FGCB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)N=C1S 9487128 PRAKNMQWMGRIMB-BOPFTXTBSA-N 367.474 3.460 10 40 FGCB O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2[nH]cnc2c1 54035638 AQYZUGFBHWPUPS-UHFFFAOYSA-N 352.463 3.046 10 40 FGCB CCc1nnc(S/C(=C\c2ccc(N(CC)CC)cc2O)C(=O)O)o1 7342649 RRAXLULNNSHNMR-ZROIWOOFSA-N 363.439 3.402 10 40 FGCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3ccc(C)cc3)S2)CC1 5123852 HAUSTIXOKXCVMQ-FOWTUZBSSA-N 358.463 3.240 10 40 FGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1cccs1 103916953 JVBRGACHMIZWQB-ATVHPVEESA-N 370.434 3.485 10 40 FGCB COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\c3ccsc3)C2=O)c1 8994809 LFEGJJIJFWDABE-KPKJPENVSA-N 358.375 3.272 10 40 FGCB CCn1cc(/C=C2\SC(N3CCc4ccccc4C3)=NC2=O)c(C)n1 36619604 WVHNEGAKTJOKJY-YVLHZVERSA-N 352.463 3.240 10 40 FGCB COc1ccc([C@@H](Nc2ncccn2)c2cc3c(cc2O)OCO3)cc1 1586974 IJLYHFDMMYWAIQ-GOSISDBHSA-N 351.362 3.121 10 40 FGCB in-vitro Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)c2cnn(C(C)C)c2n1 11545247 KQLRICJSKPKADU-UHFFFAOYSA-N 351.454 3.317 10 40 FGCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408876275 KMMAHUZYPDLCON-SFQUDFHCSA-N 364.401 3.369 10 40 FGCB O=C(NC1CCN(Cc2cc3c(cc2O)CCC3)CC1)c1ccccc1 32888199 UNXATYHXAOQGKZ-UHFFFAOYSA-N 350.462 3.275 10 40 FGCB Cc1ccc(C(=O)N/C(=C\c2ccc(N(C)C)cc2)C(=O)NC(C)C)cc1 33406292 PLTDXFQZGBHWSO-ZHZULCJRSA-N 365.477 3.357 10 40 FGCB CCOc1ccc(Cl)cc1C=C1C(=O)N(CC)C(=S)N(CC)C1=O 409101796 YSQRPMKWHXNPIB-UHFFFAOYSA-N 366.870 3.118 10 40 FGCB CC[C@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1OC 33668696 AJJYGGPRIHJJLV-DLRWLJPMSA-N 366.417 3.334 10 40 FGCB C[C@H]1Cc2cc(/C=C3/C(=O)NN(c4cccc(Cl)c4)C3=O)ccc2O1 5881425 QYMOUTRWFZLVKJ-RCEBRVLHSA-N 354.793 3.125 10 40 FGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccc(O)cc2)S1 20226892 UOSHAZXGNIJERC-NVNXTCNLSA-N 354.387 3.481 10 40 FGCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccc(O)c1 13541772 UCVCWEUPYONQSM-NDENLUEZSA-N 373.412 3.261 10 40 FGCB COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(C(C)C)cc3)C2=O)c1 1197255 YDJBGTCOKFOKEI-WOJGMQOQSA-N 364.401 3.485 10 40 FGCB Cc1cc(C)c(S(=O)(=O)NC2=CC(=S)C(=O)c3ccccc32)c(C)c1 11615802 AOYIMJOLWROVEC-UHFFFAOYSA-N 371.483 3.497 10 40 FGCB CCc1ccccc1N1C=C(C(=O)OC)S(=O)(=O)c2ccc(F)cc21 64979183 UJZWJXGFXLWITP-UHFFFAOYSA-N 361.394 3.328 10 40 FGCB CCCCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 4044216 XBVJAWHDLVBLCT-QGZVFWFLSA-N 361.511 3.279 10 40 FGCB Cc1cc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c(C)n1-c1ccccn1 84081395 DAQFULKPKCAAOD-HUUCEWRRSA-N 369.465 3.435 10 40 FGCB CC(C)N1C(=O)S/C(=C\c2ccc(N3CCOCC3)c(F)c2)C1=O 409129040 UBCGEMWCNVQETC-GDNBJRDFSA-N 350.415 3.107 10 40 FGCB COCCCNCc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)coc12 32501385 HHHBEJULTWHSGJ-UHFFFAOYSA-N 357.381 3.431 10 40 FGCB biogenic CN1CC[C@@]23Oc4ccccc4[C@@H](N(C)[C@@H](c4ccccc4O)[C@H]2C1)N3C 1889092500 WATXURHNNPDFGA-KDXIVRHGSA-N 365.477 3.050 10 40 FGCB COc1ccc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5097687 BYXNBWRYHUPXAD-OAQYLSRUSA-N 369.509 3.113 10 40 FGCB CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35349271 NXTDBTVMLXDOPB-NRFANRHFSA-N 351.494 3.378 10 40 FGCB Cc1cccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1 100962680 VYQHAVCFOCWULI-RVDMUPIBSA-N 351.431 3.047 10 40 FGCB COc1ccc(N2CCCN(C(=O)N[C@H]3COc4ccccc43)CC2)cc1 83947475 CREOHZVABGYWKP-IBGZPJMESA-N 367.449 3.051 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1 409145546 QSYVHCLKHRHWIK-LFIBNONCSA-N 366.442 3.143 10 40 FGCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc2c(c1)OCO2 6272762 PKKCRAZAHHHRSM-YBEGLDIGSA-N 369.417 3.421 10 40 FGCB CCN1C(=O)C(=Cc2ccc(-c3ccccc3F)o2)C(=O)N(CC)C1=S 693174 VPNLPIGGFZQRDH-UHFFFAOYSA-N 372.421 3.465 10 40 FGCB COc1ccc(CNC(=O)NCc2ccc(N3CCCCC3)cc2)cc1O 65516457 KYACYTJHTRCKFG-UHFFFAOYSA-N 369.465 3.391 10 40 FGCB COc1cccc(CN2CCC(C(=O)N(C)C3CCCCC3)CC2)c1O 4679569 CFGHXBUXCPCXGV-UHFFFAOYSA-N 360.498 3.404 10 40 FGCB COc1ccc(OC)c(CNCc2cc(Br)ccc2O)c1 40477065 HLQPJKUANXIHMB-UHFFFAOYSA-N 352.228 3.462 10 40 FGCB NC(=O)[C@H]1CCCN(c2ccc(CNc3ncnc4sccc34)cc2)C1 54124365 UZXMFEYIXNYNML-AWEZNQCLSA-N 367.478 3.005 10 40 FGCB CC(C)c1ccccc1OCC(=O)NCc1ccc(N2CCOCC2)cc1 222809741 HGSFDQCGKYKDSB-UHFFFAOYSA-N 368.477 3.342 10 40 FGCB CCCOC(=O)CN1C(=O)/C(=C/c2ccccc2OCC)SC1=S 1809370 ARVFOTDZQLGYHJ-UVTDQMKNSA-N 365.476 3.240 10 40 FGCB CC1(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(F)cc1Br)C(=O)C2=O 12402090 YDXFANZMKWQYPP-XXFAHNHDSA-N 368.202 3.101 10 40 FGCB CN1CCN([C@@H](c2ccc(Cl)cc2)c2cc3c(cc2O)OCO3)CC1 20735769 FUQZAMYSHUCXCK-IBGZPJMESA-N 360.841 3.111 10 40 FGCB COCCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O 409247206 CLVPQERORYJYGY-FOWTUZBSSA-N 364.442 3.499 10 40 FGCB Cc1cc(C)c(C2=c3ccccc3=C(c3ccccc3)C(=O)C2=O)c(C)c1 1722273 YPOQLBOMQLUQDW-UHFFFAOYSA-N 352.433 3.162 10 40 FGCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)N(C)c3ccccc3)sc2n1 10644830 MPWBSSNEAPOSCN-UHFFFAOYSA-N 369.446 3.315 10 40 FGCB CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(C)=O)cc1 4732546 DELNTLRXCXYKRU-UHFFFAOYSA-N 364.453 3.459 10 40 FGCB CN1CCc2cc([C@@H](CNC(=O)Nc3ccc(F)cc3)N(C)C)ccc21 35597191 HCVDSQAUSTUSGJ-LJQANCHMSA-N 356.445 3.242 10 40 FGCB CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc1 844416 DZPCWCKSWPLNQR-SFHVURJKSA-N 359.470 3.360 10 40 FGCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408805577 GWHSCXDQDZEHDV-NTEUORMPSA-N 370.792 3.323 10 40 FGCB CCCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 8707142 GYGBQIFPIYLRGM-MRXNPFEDSA-N 359.495 3.347 10 40 FGCB COc1cc(/C=C2/C(=N)N3C(=NC2=O)Sc2ccccc23)ccc1O 3859338 WHXJCCYMFALTSL-FBTYGWORSA-N 351.387 3.270 10 40 FGCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(O)c(Cl)c1 409147711 NLRPRHAEEJWQQF-ZROIWOOFSA-N 358.806 3.446 10 40 FGCB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1 409237529 VBLIISZTNPCPOT-MDWZMJQESA-N 360.822 3.381 10 40 FGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 409239605 HPXDRDSJAJXDHH-CXUHLZMHSA-N 367.405 3.126 10 40 FGCB COc1ccc(N2CCN(C(=O)CSCc3ccccc3F)CC2)cc1 57679988 ARNABZWQSSMYIQ-UHFFFAOYSA-N 374.481 3.416 10 40 FGCB CCn1ncc(/C=C2/C(=O)N(c3ccccc3)N=C2c2cc(C)nn2C)c1C 6490021 YKDPIKBIKVLSPY-LDADJPATSA-N 374.448 3.088 10 40 FGCB CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(O)c(OC)c3)C(=O)N=C2S1 4664756 GFTJRPVBJSEZKB-MKIIFUPGSA-N 372.450 3.456 10 40 FGCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(O)c3)C2=O)cc1 4704469 HNINHEABYGLJHI-GZTJUZNOSA-N 350.374 3.182 10 40 FGCB COc1ccccc1[C@]1(O)CCC[C@@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]21 248258461 ULRGCDBKRHSJJE-RADWXHQJSA-N 369.461 3.226 10 40 FGCB CC(=O)Nc1ccc(CNCc2ccc(N3CCSCC3)cc2)cc1 48745541 LUIIUJRGTBIQBG-UHFFFAOYSA-N 355.507 3.488 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\[C@H]1C(C)=NN(c2ccccc2)[C@H]1O 16607904 RJJJWYYBXXBYMY-IVESEMPJSA-N 360.417 3.166 10 40 FGCB CC(C)CC(=O)NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 5552685 HDNQJNYCLPMPFB-ZSOIEALJSA-N 359.476 3.446 10 40 FGCB COc1ccc(N2CCN(Cc3nnc(-c4ccc(C)cc4)o3)CC2)cc1 54244970 IGEJAXSXPUTMAR-UHFFFAOYSA-N 364.449 3.376 10 40 FGCB C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2F)C[C@@H](C)O1 107337111 XKGFLLVIODYYOZ-UXDQUXDASA-N 360.473 3.492 10 40 FGCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C(=O)NC2=S)cc1 4739007 JIOXSZFFWCLMMK-GDNBJRDFSA-N 372.833 3.180 10 40 FGCB O=C(NN1C(=O)/C(=C\c2ccc[nH]2)SC1=S)c1ccc(Cl)cc1 27230990 SAUCHCUWBRGVHP-XYOKQWHBSA-N 363.851 3.214 10 40 FGCB CN(C)c1ccc(CN2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)cc1 72322042 WJLJMNYCPQSLOD-FQEVSTJZSA-N 363.465 3.111 10 40 FGCB biogenic,in-vitro CN1CCN(c2ccc(CNC(=O)/C=C/c3ccccc3Cl)cc2)CC1 216926611 YQWJXPZNIXDRBW-DHZHZOJOSA-N 369.896 3.421 10 40 FGCB COc1cc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc(OC)c1O 5371974 LADFCWHBIFZHAM-WQLSENKSSA-N 353.465 3.409 10 40 FGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 5373359 YHQGKKZNBAMSGL-ZROIWOOFSA-N 357.412 3.496 10 40 FGCB Cc1cc(NC(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)on1 29923977 MMVBSUMJXOYJFK-UHFFFAOYSA-N 355.316 3.273 10 40 FGCB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(C)=O 12323531 ZTDYUEQMKRYRJA-UHFFFAOYSA-N 350.422 3.414 10 40 FGCB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccs1 1170405 IDBKNYXUOQOMBL-XYOKQWHBSA-N 366.320 3.433 10 40 FGCB O=C1/C(=C\NNc2ccccc2)C(O)=NC(=S)N1CCC1=CCCCC1 33937577 NLIZMFPQZIQLFL-SSZFMOIBSA-N 370.478 3.461 10 40 FGCB COc1cccc(-n2ccnc2SCC(=O)c2ccc(O)c(O)c2)c1 26044910 VQDGXSLNUQJBTI-UHFFFAOYSA-N 356.403 3.267 10 40 FGCB COc1cc([C@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)cc(O)c1O 9114348 FELDBBMUMBFCNO-MRXNPFEDSA-N 371.418 3.187 10 40 FGCB O=C(O)CN1C(=O)/C(=C\c2ccccc2OC2CCCC2)SC1=S 96291614 ZYXXYERMYZZFNQ-NTEUORMPSA-N 363.460 3.294 10 40 FGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(OC)c1OC 408770221 UVVKQNSGCNGQMJ-WJDWOHSUSA-N 373.449 3.423 10 40 FGCB CC(=O)c1ccc(N=N[C@H](C(N)=O)[C@@H]2NC(C)(C)Cc3ccccc32)cc1 604940873 WQFHCZGUBRVAAW-MOPGFXCFSA-N 364.449 3.492 10 40 FGCB CN1CCN([C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)CC1 19680910 MIGHUSJWTOALIP-FQEVSTJZSA-N 351.425 3.416 10 40 FGCB CCN1CCN(Cc2c(O)ccc3cc(-c4ccccc4)c(=O)oc23)CC1 20605101 QKGMGCRCUCDQFF-UHFFFAOYSA-N 364.445 3.303 10 40 FGCB biogenic CN(Cc1ccc(N(C)C)cc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 22318108 XBFSIGSHDLCNSL-SFHVURJKSA-N 365.477 3.302 10 40 FGCB Cc1cc(C(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c(C)n1-c1ccccc1 6788687 YXLJTLVAJGAPGT-SFHVURJKSA-N 367.449 3.243 10 40 FGCB Cc1cccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 225775487 YSZMBFDQXIXWMB-UHFFFAOYSA-N 354.523 3.233 10 40 FGCB COc1cc([C@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc(OC)c1OC 66091765 QBUGKSAZBYARBE-QGZVFWFLSA-N 370.405 3.116 10 40 FGCB Cc1ccc(O)c(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 19133535 VPLGKNGAXUYGBH-LJQANCHMSA-N 352.482 3.206 10 40 FGCB COc1ccc([C@@]2(O)CN(c3ccccc3C)C3=[N+]2CCCS3)c(F)c1 4086805 CRIRLTHKHWVPCT-FQEVSTJZSA-N 373.473 3.313 10 40 FGCB CCCOC(=O)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1809298 OSXZFPZDWCSRBT-WQLSENKSSA-N 355.868 3.494 10 40 FGCB CCOC(=O)c1cc2c(N)c(C(=O)OCC)sc2nc1C(F)(F)F 2559303 YVHYPZIKTPMTKQ-UHFFFAOYSA-N 362.329 3.251 10 40 FGCB O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1nccs1)c1ccccn21 5576823 ZCJVVIPQSOKYKO-UHFFFAOYSA-N 373.393 3.424 10 40 FGCB Cc1cc(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccccc1 12641147 LOWWUGJFIKLJBS-QZTJIDSGSA-N 362.429 3.228 10 40 FGCB COCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 409140034 CXYXXCVETDTFNI-XNTDXEJSSA-N 350.415 3.109 10 40 FGCB CC(=O)Nc1c(C)cc(Br)c2c1C(=O)c1ccccc1C2=O 5792884 LBGDRFZPWATHSZ-UHFFFAOYSA-N 358.191 3.491 10 40 FGCB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc2c(c1)OCO2)CO3 2123626 ZXCLMJUXEKDOJU-UHFFFAOYSA-N 351.358 3.495 10 40 FGCB biogenic COc1cc(OC)c(OC)cc1/C=C1\SC(N2CCCCC2)=NC1=O 13108904 LPLZBVBVOCPNOA-YBEGLDIGSA-N 362.451 3.169 10 40 FGCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1c[nH]cn1 16639480 CFUUMWITRYWARM-RGEXLXHISA-N 367.453 3.027 10 40 FGCB COc1ccc(N2CCO[C@@H]2c2cn(Cc3ccc(F)cc3)nn2)cc1 216766911 QXVGOEVFYQYBOK-LJQANCHMSA-N 354.385 3.010 10 40 FGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)cc1 408776287 YHLWFKJJLUNQPL-MDWZMJQESA-N 372.833 3.185 10 40 FGCB Cc1cccc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C)c1 46882305 PZAJMONDZNUWNG-UHFFFAOYSA-N 365.389 3.355 10 40 FGCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 5540588 MFPLANWKVSUNMV-GDNBJRDFSA-N 370.455 3.247 10 40 FGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2 4623606 JXLVSBCVKUJJGM-MDOVXXIYSA-N 363.417 3.113 10 40 FGCB COCCn1c(-c2ccccc2)cnc1SCC(=O)N1CCCCC1 44085835 QGIOYFUERLQIRS-UHFFFAOYSA-N 359.495 3.301 10 40 FGCB CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 23642281 SSEWXBCTZYNSBF-BGYRXZFFSA-N 367.493 3.017 10 40 FGCB COC(=O)c1c(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)sc2c1CCC2 95947157 CJWKPBJSBHNTBK-GFCCVEGCSA-N 370.430 3.088 10 40 FGCB CC(C)Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33626891 IKVXMBXNRUCQEI-PDGQHHTCSA-N 365.433 3.001 10 40 FGCB Cc1cc(C(=O)OCC(=O)N[C@@H](C)C2CC2)c(C)n1-c1ccc(F)cc1 49600772 RRPMZTXYZOPQJQ-ZDUSSCGKSA-N 358.413 3.305 10 40 FGCB Cc1cccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2C)c1 22212355 GVSMJPASGHWIHY-UHFFFAOYSA-N 355.419 3.177 10 40 FGCB O=C(O)[C@@H]1CS[C@@H](c2ccccc2O)N1Cc1cc(Cl)ccc1O 4681209 TWADQDKHELMUTE-BBRMVZONSA-N 365.838 3.452 10 40 FGCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1Cl 16134371 BVRQVFJJPMFOLC-YBEGLDIGSA-N 355.825 3.176 10 40 FGCB O=C(c1ccc(F)cc1)c1coc2ccc(O)c(CN3CCOCC3)c12 19881305 PDJHHZTWCCGMNN-UHFFFAOYSA-N 355.365 3.341 10 40 FGCB COc1cc(/C=C2\C(=O)N(c3ccccc3C)C(=O)N=C2O)ccc1O 17029280 GDODOUUVRHTPRE-LCYFTJDESA-N 352.346 3.216 10 40 FGCB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1ccc(N(CC)CC)cc1 40161574 PYYKCZJDTMWCIP-SFHVURJKSA-N 359.470 3.456 10 40 FGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(C(=O)N(C)C)cc1 101113928 FPAXXGWDAGWUAU-LDADJPATSA-N 366.396 3.246 10 40 FGCB COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(OC)c1 9013388 YHMFAMJZLDXMAC-OQLLNIDSSA-N 370.336 3.350 10 40 FGCB [N-]=[N+]=NC[C@H]1OC[C@@H](O)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 6006533 IXUXOCVYBHXBOU-WTGUMLROSA-N 369.421 3.227 10 40 FGCB Cn1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C(F)(F)C(F)(F)F)n1 2787247 GGVBMUBQKYEKSH-FMIVXFBMSA-N 370.281 3.404 10 40 FGCB CNC(=O)c1ccc(C)c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 24923824 FEQNAJMYNOCKKU-UHFFFAOYSA-N 362.433 3.409 10 40 FGCB COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3ccccn3)CC2)cc1 56383309 WEJBZGZEQHMUOW-INIZCTEOSA-N 354.454 3.073 10 40 FGCB Cc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC(C)(C)C3=O)c2C)cc1F 12522365 WZGVVBVHLIJDTR-UHFFFAOYSA-N 371.412 3.055 10 40 FGCB COc1ccc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 48368656 IGBZQKNXCDDQDS-UHFFFAOYSA-N 370.518 3.497 10 40 FGCB COC(=O)c1cccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)c1 8617812 RLAKFLOUJJZSSZ-ZSOIEALJSA-N 356.428 3.274 10 40 FGCB O=C1c2ccccc2-c2onc3c(Br)cc(NCCO)c1c23 4718014 PSGYFPDMZTUFML-UHFFFAOYSA-N 359.179 3.206 10 40 FGCB Cc1ccc(O)c(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 19133532 VPLGKNGAXUYGBH-IBGZPJMESA-N 352.482 3.206 10 40 FGCB COc1ccc([C@]2(O)CN(c3ccc(C)cc3)C3=[N+]2CCCS3)c(F)c1 4086731 SZUDVUDIFWVKFO-HXUWFJFHSA-N 373.473 3.313 10 40 FGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 4623616 JXLVSBCVKUJJGM-AUSJPIAWSA-N 363.417 3.113 10 40 FGCB Cc1ccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3ccccc3O)C2)cc1 5043663 KEQQNNCMFJWEGQ-QGZVFWFLSA-N 352.390 3.243 10 40 FGCB O=C(O)c1ccccc1N/C=C1\C(=O)N(C2CCCCCC2)C(=O)N=C1O 103120154 ABYCPPFHVSVRAI-KAMYIIQDSA-N 371.393 3.322 10 40 FGCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409133861 QULDAYBJCNKRDR-MHWRWJLKSA-N 371.462 3.480 10 40 FGCB CN1/C(=C\C=C2/SC(=S)N(CC(=O)O)C2=O)C(C)(C)c2ccccc21 4498133 WOANOBPXYMWGAU-QKPPEBSVSA-N 374.487 3.127 10 40 FGCB COc1cccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1O 9322432 QSCBDOWAONGNGZ-YJYMSZOUSA-N 354.406 3.146 10 40 FGCB O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(NC(=O)c2ccco2)cc1 802313 ZIXISAPRWJDNPZ-UHFFFAOYSA-N 366.329 3.188 10 40 FGCB CCCCCCN/C=C1/C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O 101054542 OGOVEPVNAPUPLF-VBKFSLOCSA-N 359.495 3.105 10 40 FGCB Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1[N+](=O)[O-] 12798709 XETZLIXBJGQRIP-UHFFFAOYSA-N 369.421 3.012 10 40 FGCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3OC)CC2)cc1 67022003 MCJJMHFIPFIYSC-UHFFFAOYSA-N 360.841 3.320 10 40 FGCB Cc1cc(CNC(=O)c2ccc(-c3nnc(C)n3C)cc2)ccc1N(C)C 97229112 LQRYLNWOYBUQAR-UHFFFAOYSA-N 363.465 3.095 10 40 FGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 2210690 ZBBFKCJCVGSYEG-LFIBNONCSA-N 362.341 3.202 10 40 FGCB Cc1cc(/C=C/C(=O)N(C)CC(=O)NC(C)(C)C)c(C)n1-c1ccccc1 32740894 TWKGCNJSDFIMBJ-OUKQBFOZSA-N 367.493 3.480 10 40 FGCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(Br)cc1)C(=O)C2=O 2666498 OZFUJBFGNYLQPM-DLBZAZTESA-N 364.239 3.352 10 40 FGCB COc1ccc(OC)c(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1 17028106 VQDVCBJFBHWGKY-XNTDXEJSSA-N 370.336 3.350 10 40 FGCB O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1cccs1 3766104 BWPFIGOZMMJKRS-JXMROGBWSA-N 352.487 3.356 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1C 408785996 DJTGPONPKXTWSI-RIYZIHGNSA-N 370.792 3.329 10 40 FGCB CCCC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946039 ZPBSIPIEMQHJNC-IBGZPJMESA-N 371.481 3.068 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)cc3)C2=O)cc1 15013029 CMRRMSLKAPWIIZ-PDGQHHTCSA-N 364.401 3.449 10 40 FGCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/C=C/c1ccco1 1197725 ORVGTRYOUVKRBF-BOAPOFAJSA-N 358.806 3.321 10 40 FGCB O=[N+]([O-])c1c(N2CC=C(c3c[nH]c4ncccc34)CC2)nc2ccccn12 22420166 VHIWVAXALJFEHW-UHFFFAOYSA-N 360.377 3.413 10 40 FGCB CCN1C(=O)NC(=O)/C(=C\c2ccc(OCC(C)C)c3ccccc23)C1=O 59109652 XGGJXRFLGPHQGE-GZTJUZNOSA-N 366.417 3.356 10 40 FGCB CCOC(=O)[C@H](/N=N\c1ccc([N+](=O)[O-])cc1)SCCCC(=O)O 103550073 YRBQDGKBEVHBMH-JFVSRZABSA-N 355.372 3.166 10 40 FGCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(O)c1 59959201 QIKSDWMWBGBACO-WQRHYEAKSA-N 365.385 3.278 10 40 FGCB CN1C(=O)/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)SC1=S 5174124 HAPVQGLQPCGZNZ-UITAMQMPSA-N 359.226 3.188 10 40 FGCB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CCC3CCCCC3)cc2)C1 48367907 OLWWGVJICCJKIZ-IBGZPJMESA-N 371.525 3.365 10 40 FGCB CS(=O)(=O)Nc1cccc(CNCc2ccc(N3CCCCC3)cc2)c1 89489969 JOUPKRFECUWXQQ-UHFFFAOYSA-N 373.522 3.338 10 40 FGCB Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)c1 3513241 ZOPTZGDHMOQLCD-UHFFFAOYSA-N 355.467 3.209 10 40 FGCB Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)o1 409339514 JJFQAENEXZBKPN-YRNVUSSQSA-N 350.446 3.196 10 40 FGCB Cc1noc(C)c1-c1cccc(C(=O)NCc2ccc(N(C)C)cc2)n1 257275265 NOPNJDKCTRABTA-UHFFFAOYSA-N 350.422 3.349 10 40 FGCB CC(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 21963340 CEZJAEJSPHHZGM-UHFFFAOYSA-N 358.463 3.060 10 40 FGCB Oc1ccc(CCNC(=S)Nc2ccc(OC(F)F)cc2)cc1O 3265556 ZXYFMCAZFJFNJT-UHFFFAOYSA-N 354.378 3.228 10 40 FGCB COc1ccc(N2C(=O)[C@H]3CCCN3[C@@H]2c2ccc(N(C)C)cc2)cc1 57011001 SIAFABUZRKQTEN-UXHICEINSA-N 351.450 3.271 10 40 FGCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-n2cccn2)nc1 49407331 RKZILIILCJULCN-UHFFFAOYSA-N 361.449 3.188 10 40 FGCB O=C(C[C@H]1SC(=S)N(CCc2ccccc2)C1=O)Nc1ccccc1 9927492 RKNOUGYXSGQZDF-MRXNPFEDSA-N 370.499 3.487 10 40 FGCB CC[C@@H](C)N1C(=O)/C(=C\Nc2ccc(N(CC)CC)cc2)C(=O)N=C1S 103123848 CDRHGIBNBRZWCX-OPCAMPFDSA-N 374.510 3.282 10 40 FGCB O=C(CCN1CCCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 3896930 AYQNFRWVVKFILF-UHFFFAOYSA-N 362.429 3.277 10 40 FGCB COc1ccccc1/C=C/C=C1\SC(=S)N(CCCC(=O)O)C1=O 7166614 ITEIZBWMOONPAU-DBBRDBGQSA-N 363.460 3.317 10 40 FGCB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccco1 409370036 JVIUVOZCOHFRFD-BOPFTXTBSA-N 351.358 3.359 10 40 FGCB CN(C(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)c1ccccc1 4116521 SUCOOOTVZICSJV-UHFFFAOYSA-N 356.381 3.321 10 40 FGCB COCCN1C(=O)/C(=C\c2cccc3ccccc23)C(C(=O)OC)=C1C 408798817 XHHZFUPUQKLCBA-AQTBWJFISA-N 351.402 3.159 10 40 FGCB O=C(CSc1ccc(Cl)cc1)NC1=NN(c2ccccc2)C(=O)C1 1057797 VHQNPDPEAIYATG-UHFFFAOYSA-N 359.838 3.299 10 40 FGCB C[C@@H]1Cc2cc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)ccc2O1 5443014 SLRHMOTXUQRWIT-ILXUAHRDSA-N 361.488 3.390 10 40 FGCB O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 15011642 ZNWYGQPSLZVNHI-RIYZIHGNSA-N 374.399 3.412 10 40 FGCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409129607 UUZUCUJEGPGWFN-GZTJUZNOSA-N 372.446 3.482 10 40 FGCB CC1=NN(C(=O)c2ccc(C)cc2)C(=O)[C@@H]1/N=N/c1ccccc1C(=O)O 73280120 AUHYMQXXPORJMG-FVGNFYTDSA-N 364.361 3.204 10 40 FGCB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1cccc(O)c1 1303962 KBNXJGDVCKOKGZ-RIYZIHGNSA-N 374.418 3.078 10 40 FGCB CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(O)=NC1=S 6938231 WGBJBRKPRREKAL-UKTHLTGXSA-N 371.374 3.342 10 40 FGCB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(C)C(=O)N=C2O)o1 1201155 XPIHPKHYLBOHCT-MDWZMJQESA-N 355.306 3.095 10 40 FGCB O=C(CCc1ccc(F)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 58208662 SIXURAFSAKSZPU-UHFFFAOYSA-N 374.431 3.175 10 40 FGCB CCCn1cc(/C=C2/C(=O)NC(=S)N([C@H](C)CC)C2=O)c2ccccc21 13842514 YZYAGQXBJPBSTH-YYTPVVGHSA-N 369.490 3.477 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(O)c3)C2=O)cc1Cl 4704218 FAEQZOXXZUQEFR-ZSOIEALJSA-N 356.765 3.020 10 40 FGCB CCN1C(=O)/C(=C/c2cc(OC)c(O)cc2Br)SC1=S 49371748 SKOPXXCZLZDCQF-WZUFQYTHSA-N 374.281 3.384 10 40 FGCB CC(=O)Nc1ccc(N/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1 100071290 QOLXMINZPJBCKT-WJDWOHSUSA-N 364.361 3.064 10 40 FGCB COc1ccc(N2CCN(C(=O)NC(=O)c3ccc(Cl)cc3)CC2)cc1 646692 ZFTRWDWPZNMBTO-UHFFFAOYSA-N 373.840 3.021 10 40 FGCB COc1ccc(N2CCN(C(=O)COc3cc(C)ccc3C)CC2)cc1 3607933 IQZYNOUQTPOHCX-UHFFFAOYSA-N 354.450 3.040 10 40 FGCB CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1O 32109399 NQULQGJNKONORU-OOJRFANJSA-N 358.423 3.066 10 40 FGCB COc1ccc(NC(=O)c2nc[nH]c2/N=N/c2ccc(O)cc2O)cc1 6694025 YVTJCAZCOOUUGA-QURGRASLSA-N 353.338 3.497 10 40 FGCB C[C@@H](Cc1ccc(O)c(O)c1)C(=O)N1CCO[C@H](c2ccccc2F)C1 96012379 YIUAUZMMLHXLNK-DJJJIMSYSA-N 359.397 3.016 10 40 FGCB Cc1c(O)c(CN2CCN(C)CC2)cc2c(-c3ccccc3)cc(=O)oc12 19789563 KUUOJVCTIFCRDH-UHFFFAOYSA-N 364.445 3.221 10 40 FGCB biogenic O=S(=O)(Nc1ccccn1)c1ccc(/N=N\c2ncccc2O)cc1 104124441 QSBBSKSGACMGTB-VXPUYCOJSA-N 355.379 3.398 10 40 FGCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1O 101568103 SARVXNONKJZWEN-SDQBBNPISA-N 368.436 3.166 10 40 FGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 103916473 SLDYNWNHVOJOIC-UNOMPAQXSA-N 367.380 3.341 10 40 FGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccco1 107971050 UWIGRQCLESKCSJ-GDNBJRDFSA-N 354.318 3.065 10 40 FGCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 14011085 NSJLEMBWTUEBMK-WJDWOHSUSA-N 370.792 3.405 10 40 FGCB C[C@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)o1 8117498 WBCGSUQVUUULPM-MMFTZZHKSA-N 351.449 3.469 10 40 FGCB CCCCN1CCc2cc(/C=C3\C(=O)N(C4CC4)C(=S)N=C3O)ccc21 33343990 NPGXUZLXHNHLDZ-VBKFSLOCSA-N 369.490 3.479 10 40 FGCB CCN(CC)C(=O)[C@@H](C)NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C 40107479 QQTWKZYONZLNDS-TUQDCPSNSA-N 367.493 3.480 10 40 FGCB CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 409409938 XXBQAZHBGDIXNB-ZROIWOOFSA-N 372.808 3.209 10 40 FGCB COc1ccc(N2CCN(c3ccc(N)cc3C(=O)OC(C)C)CC2)cc1 225489804 OCCQEGYZFIFBEE-UHFFFAOYSA-N 369.465 3.169 10 40 FGCB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(O)c2ccccc12 226857456 BWRKMNVZRYRJIV-UHFFFAOYSA-N 357.387 3.353 10 40 FGCB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 205671465 DUVIYQQADPIXLI-FOWTUZBSSA-N 374.462 3.276 10 40 FGCB CCOc1ccc(/C=C2\SC(=S)N([C@H](CC)C(=O)O)C2=O)cc1 4356835 SNMPVKBQCAFOTE-FNWMBBJUSA-N 351.449 3.150 10 40 FGCB COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCCC2)c(OC)c1 3053340 SIIGPJRXGNGZQA-FQEVSTJZSA-N 357.406 3.323 10 40 FGCB COc1ccccc1NC(=O)C[C@@H]1SC(=O)N(c2ccc(F)cc2)C1=O 12136921 VWHPDUWPKQSYOC-HNNXBMFYSA-N 374.393 3.432 10 40 FGCB COc1ccc(N(CCC(N)=O)Cc2ccc(Br)cc2)cc1 8746904 XWSKOQLLDRLUJA-UHFFFAOYSA-N 363.255 3.340 10 40 FGCB OC1CCN(c2ccc(CNc3nccc(C(F)(F)F)n3)cc2F)CC1 52457701 OSHGYAAGRGJYOS-UHFFFAOYSA-N 370.350 3.208 10 40 FGCB O=C(O)CN1C(=O)/C(=C\c2ccc(CSC(F)F)o2)SC1=S 43079813 NPFDHQCMVQLPSG-FPYGCLRLSA-N 365.404 3.021 10 40 FGCB O=C1OC(c2ccco2)=N/C1=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1 95948279 IISKXPWYLXOTLN-JLHYYAGUSA-N 353.334 3.133 10 40 FGCB N=C1/C(=C/c2ccc(Cl)cc2)C(=O)N=C2SC(N3CCCCC3)=NN12 41084822 JRBGUMGXPOMBTE-KDHOSJJSSA-N 373.869 3.403 10 40 FGCB Cc1cc(C)n(C2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 19657003 RXLQBUDDKFRRTN-UHFFFAOYSA-N 354.498 3.174 10 40 FGCB COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(OC)c1 13564441 VWJWCJULCKHAAZ-ATDKOCKZSA-N 365.476 3.084 10 40 FGCB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(N(C)C)cc2)NN1C 4543659 ZJAGKQCWAVPIKX-IBGZPJMESA-N 371.872 3.264 10 40 FGCB CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)c1 408877171 SQQXLISFMHZWCG-LGMDPLHJSA-N 364.401 3.314 10 40 FGCB COc1ccc(N2CCN(C[C@H](O)c3c(C)[nH]c4ccccc34)CC2)cc1 19581665 RYEBWJMQXHILMF-NRFANRHFSA-N 365.477 3.341 10 40 FGCB C/C(NC1CC1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112116660 CFFCIJVJSKPTRO-AQTBWJFISA-N 362.389 3.372 10 40 FGCB O=C(O)[C@@H]1CCCC[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 5030648 CAVIJGGXNIURPI-VHSXEESVSA-N 370.357 3.373 10 40 FGCB in-vivo O=S(=O)(Nc1nccs1)c1ccc(NCc2ccccc2O)cc1 793991 QZMVRYKARIARSL-UHFFFAOYSA-N 361.448 3.262 10 40 FGCB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 4591140 JCDIRHCVHMMARN-BOPFTXTBSA-N 352.415 3.372 10 40 FGCB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1 408582926 GCDUAPUGFODOSZ-ATVHPVEESA-N 364.357 3.472 10 40 FGCB Cc1ccc(O)c(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c1 12187352 ADISZDHXGMHDRB-UHFFFAOYSA-N 365.437 3.229 10 40 FGCB O=C(CCc1ccccc1O)NCc1ccc(N2CCSCC2)cc1 48368400 HFTQWENHWJFPAM-UHFFFAOYSA-N 356.491 3.194 10 40 FGCB CSc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1 4673317 SSAZZLVAPPCEMX-GDNBJRDFSA-N 372.446 3.379 10 40 FGCB CCc1ccccc1N/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408534067 URLJULNEURFFKL-FOWTUZBSSA-N 363.417 3.445 10 40 FGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(O)c(C(=O)O)c1 38186490 KWJLUDJDVNVVFR-LICLKQGHSA-N 365.389 3.426 10 40 FGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1COc2ccccc2O1 32772564 TWERIBRTYZEIBP-OAQYLSRUSA-N 366.461 3.475 10 40 FGCB O=C(Cc1nc2ccccc2nc1CC(=O)c1cccnc1)c1cccnc1 1588943 IETDQEHRBUGCKC-UHFFFAOYSA-N 368.396 3.271 10 40 FGCB O[C@@]1(c2ccc(F)cc2)CN2CCCSC2=[N+]1CCc1ccccc1 3246606 HTKBHXYOLKVIPQ-HXUWFJFHSA-N 357.474 3.035 10 40 FGCB CCCCC(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4965273 FYLLZIKOZNBEEZ-UHFFFAOYSA-N 365.385 3.134 10 40 FGCB O=C1C[C@@H](c2ccc(O)c(O)c2)c2c(c(C(=O)O)cn2-c2ccccc2)N1 61718137 HPDOZENAJFPRPJ-ZDUSSCGKSA-N 364.357 3.061 10 40 FGCB CCN1C(=O)/C(=C/c2cc(Br)cc(OC)c2O)SC1=S 2573361 XCXMDMYJHGEQAC-YHYXMXQVSA-N 374.281 3.384 10 40 FGCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1 4363294 SNFHHFDFMCYFTB-UHFFFAOYSA-N 361.697 3.098 10 40 FGCB CC1=NN2C(=N)/C(=C/c3coc4ccc(Cl)cc4c3=O)C(=O)N=C2S1 5442891 PKDPBBLMPZQZSZ-LGLCZOKQSA-N 372.793 3.085 10 40 FGCB CCCC1=NN2C(=N)/C(=C/c3ccc(O)c(OCC)c3)C(=O)N=C2S1 1252406 DBGBEBQMGHWNOO-CQWRCJHRSA-N 358.423 3.210 10 40 FGCB C[C@@H]1CN(C(C)(C)CNCc2cc(Br)ccc2O)C[C@@H](C)O1 58407518 QNMSDMGIBHSTRA-CHWSQXEVSA-N 371.319 3.132 10 40 FGCB O=C(O)c1cc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)ccc1O 4356714 VCMWPBAOVYUENA-AUWJEWJLSA-N 373.411 3.202 10 40 FGCB Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3O)C(=O)NC2=S)cc1 18194593 PAICIOSNMUOYEE-NTEUORMPSA-N 372.833 3.185 10 40 FGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c[nH]c2ccccc12 2288298 LARUQYDQOXMOGQ-OQLLNIDSSA-N 365.776 3.488 10 40 FGCB biogenic CN(C)c1ccc(-n2nc3cc4c(cc3n2)C(=O)c2ccccc2C4=O)cc1 4709777 NVGOGNBVGYIKKC-UHFFFAOYSA-N 368.396 3.262 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)ccc1O 32741084 JWGDPONRMSVMIE-UHFFFAOYSA-N 363.255 3.493 10 40 FGCB CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 9368553 YHNHIRYHWMHOQK-MRXNPFEDSA-N 361.486 3.016 10 40 FGCB O=C(NN1C(=O)/C(=C\c2ccco2)SC1=S)c1ccc(Cl)cc1 83306052 YGEHFHYZLRLKLP-XYOKQWHBSA-N 364.835 3.479 10 40 FGCB CCOc1cccc(N2C(=O)/C(=C\c3ccccc3C)C(=O)NC2=S)c1 852813 JKVVVGSQYUWGPB-BOPFTXTBSA-N 366.442 3.225 10 40 FGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccn1)N2 103020638 JXLVSBCVKUJJGM-STXHMFSFSA-N 363.417 3.113 10 40 FGCB CCOc1cc(C(=S)N2CCN(c3ccc(OC)cc3)CC2)ccc1O 9188037 PSGHXLKJFNYXHJ-UHFFFAOYSA-N 372.490 3.297 10 40 FGCB Cc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)o1 13774581 AQIYQZHKPQPAKG-JYRVWZFOSA-N 364.279 3.273 10 40 FGCB COC(=O)c1cccc(NC(=S)NCCCN(C)c2ccccc2)c1 225748381 VAPQSGHCHDGFAV-UHFFFAOYSA-N 357.479 3.286 10 40 FGCB CN1C(=O)/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 5214677 KRGWWPLFWQZWNN-NXVVXOECSA-N 366.467 3.435 10 40 FGCB CCc1ccc([C@@]2(O)CN(c3ccc(OC)cc3)C3=[N+]2CCCS3)cc1 2965932 UNTOYFGODVPQDZ-NRFANRHFSA-N 369.510 3.428 10 40 FGCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC[C@@H]1CCCO1 100422815 DQUROWCUXLPWQU-RERGGYADSA-N 356.451 3.061 10 40 FGCB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 113960419 ODWUWTWBXATIFF-SFHVURJKSA-N 368.477 3.224 10 40 FGCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1C[C@H](C)O[C@@H](C)C1 5025272 PDVDKYKAPIWARY-LILDISDTSA-N 360.414 3.461 10 40 FGCB CC1=NN(c2nnn[nH]2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2C)o1 12372477 FNBFRLHMLNLQLA-JYRVWZFOSA-N 368.784 3.228 10 40 FGCB O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1 409081622 QMWIIMZDXXLPQF-QVASGMJFSA-N 355.868 3.426 10 40 FGCB CC(C)(C)n1nc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)cc1C1CC1 48165164 NTXNAXNFFVOPIL-UHFFFAOYSA-N 358.398 3.059 10 40 FGCB COc1ccccc1/C=C1\SC(Nc2ccccc2C(=O)O)=NC1=O 20226897 XIPZCWGPDPQVPT-GDNBJRDFSA-N 354.387 3.476 10 40 FGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cc(OC)ccc1OC 6395073 MJAYGFUKURSNEQ-ATVHPVEESA-N 371.433 3.319 10 40 FGCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCOC 100423300 DAPLYXAMHPZXFA-VBKFSLOCSA-N 358.467 3.309 10 40 FGCB COc1ccc(O)c([C@@H](C)NC2CCN(C(=O)c3ccccc3F)CC2)c1 97113253 ULOXLYIKZQFKHV-CQSZACIVSA-N 372.440 3.495 10 40 FGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408893982 POGWOKJHYLUBFW-ATVHPVEESA-N 364.357 3.472 10 40 FGCB COc1ccc(NC(=S)NCCN(C)c2ccc(C)cc2)c(OC)c1 225795290 NUTHEIGGTUQSAS-UHFFFAOYSA-N 359.495 3.435 10 40 FGCB Cc1nn(C)c2ncc(/C=C3/SC(NC4CCCCC4)=NC3=O)cc12 96314845 NXRXPHHMUAUWDC-OQLLNIDSSA-N 355.467 3.169 10 40 FGCB COc1ccc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)cc1 5284592 OOUBYGCUIICOLA-GFAPJHNFSA-N 365.476 3.396 10 40 FGCB COc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2Cc2ccccc2)c(O)c1 19551846 FQWHICRTWZHSGI-PMACEKPBSA-N 352.478 3.292 10 40 FGCB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccc(O)cc1 13787504 DPUJGNDOGYCBII-NQDFZQDQSA-N 372.427 3.088 10 40 FGCB C[C@H](N/C=C1\C(=O)N=C(S)N(Cc2ccccc2)C1=O)c1ccccc1 103129837 YURXDWHNRYVBAV-IQGJIOQQSA-N 365.458 3.076 10 40 FGCB CCn1c(C)cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C 58527939 MQLZLURQPDKNTR-UHFFFAOYSA-N 359.445 3.031 10 40 FGCB Cn1cc(/C=C/c2nc3ccccc3c(=O)n2CCCO)c2ccccc21 3999825 BZNAGGVOVCLXIV-VAWYXSNFSA-N 359.429 3.441 10 40 FGCB biogenic CN(C)c1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2OCC3)cc1 1298598 GJJAICDPYFDTSE-HXUWFJFHSA-N 359.433 3.206 10 40 FGCB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 4472482 ZUWXWXJTJCRERP-LDADJPATSA-N 352.438 3.073 10 40 FGCB O=[N+]([O-])c1ccc(S(=O)(=O)/C=C/c2cc(O)c(O)c(Cl)c2)cc1 9449822 NIZXDYUHEWIBKL-AATRIKPKSA-N 355.755 3.104 10 40 FGCB CCN1C(=O)/C(=C/c2c(C(=O)O)[nH]c3cc(OC)ccc23)SC1=S 256055674 PGODXZSLQQVPKM-GHXNOFRVSA-N 362.432 3.096 10 40 FGCB CN(Cc1ccccc1O)C(=O)C1CCN(c2ccc(Cl)cn2)CC1 53916293 BJKSELUJULWRRH-UHFFFAOYSA-N 359.857 3.316 10 40 FGCB Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2C)cc1 1274349 KBRGWBYVRINALN-UHFFFAOYSA-N 355.419 3.177 10 40 FGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 4121688 NQOMVZDEJIEGTF-LCYFTJDESA-N 356.765 3.015 10 40 FGCB CCCOC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 4567619 ZBJVRNLZXKZJCN-ZTMOJVSCSA-N 365.476 3.238 10 40 FGCB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 408998175 TWNKAVSZAOQROH-UHFFFAOYSA-N 365.433 3.141 10 40 FGCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc2[nH]c(=O)[nH]c2c1 5489177 OGBWDHYZFDJSKX-XNTDXEJSSA-N 361.405 3.192 10 40 FGCB CC(C)N1c2ccc(C=C3C(=O)NC(=S)NC3=O)cc2[C@@H](C)CC1(C)C 223550089 ZIESDXHSSZOQKQ-LBPRGKRZSA-N 371.506 3.102 10 40 FGCB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O 6026537 UPUYWWHLWCSICI-WJDWOHSUSA-N 374.462 3.195 10 40 FGCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 5373607 SCAGRUNJHCHNBC-NEQSRXPGSA-N 365.476 3.396 10 40 FGCB COc1cc(/C=C2\C(=N)N3C(=NC2=O)Sc2ccccc23)ccc1O 13539770 WHXJCCYMFALTSL-IMNAATIYSA-N 351.387 3.270 10 40 FGCB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)NC2=S)cc1 409127200 CPBORJRNGQAXOA-BOPFTXTBSA-N 355.463 3.303 10 40 FGCB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\c3ncccc3O)cc2)n1 104124382 SKYMKWHKGCGRJP-MRCUWXFGSA-N 370.394 3.102 10 40 FGCB Cn1cccc1/C=C1/SC(=S)N([C@H](C(=O)O)c2ccccc2)C1=O 27229469 PRATVMXZUPWLSX-UELRPHRMSA-N 358.444 3.052 10 40 FGCB O=S(=O)(Cc1c(F)cccc1F)NCCCSc1nccs1 89768124 KJZMCPWMUABZOG-UHFFFAOYSA-N 364.464 3.023 10 40 FGCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(O)c2)C(O)=NC1=S 2350406 MINMIVUNVNNWIP-XYOKQWHBSA-N 354.387 3.078 10 40 FGCB CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408994070 YGNRZFWKAPMDGE-FOWTUZBSSA-N 366.442 3.225 10 40 FGCB COc1ccc(N2CCN(C(=O)Nc3cnc(C(C)(C)C)nc3)CC2)cc1 95408264 ARVJYRDANYFPGH-UHFFFAOYSA-N 369.469 3.137 10 40 FGCB COc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1C(=O)O 226856804 MBGDCIXRSAPMNQ-UHFFFAOYSA-N 373.386 3.053 10 40 FGCB O=C(O)CCCN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S 6660647 AOCARULCBDODTJ-UVTDQMKNSA-N 358.444 3.301 10 40 FGCB Oc1ccccc1CNC1(Cc2cc(COc3ccccc3)on2)COC1 67898189 KRKZJLHWCZPSBW-UHFFFAOYSA-N 366.417 3.061 10 40 FGCB biogenic,in-vitro O=c1oc2c(CNCCc3cccc(F)c3)c(O)ccc2c2c1CCC2 20592007 ZJIATXIKMMGELT-UHFFFAOYSA-N 353.393 3.459 10 40 FGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1771640 PMSGPLROFRAQCY-HQQGHWSLSA-N 371.480 3.233 10 40 FGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(N(C)C)cc1 13810594 ASHQPSHCHQQXIJ-PDGQHHTCSA-N 356.466 3.471 10 40 FGCB COCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 4999679 SINVHQWMQBACED-JXAWBTAJSA-N 353.397 3.087 10 40 FGCB COc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3C)nn2)cc1 216766156 QAMYQJIVSOAWKD-HXUWFJFHSA-N 350.422 3.179 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)c(C)c1 2251036 NJPHVZRHJPLRMK-SFQUDFHCSA-N 363.417 3.036 10 40 FGCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1C[C@H](C)O[C@H](C)C1 18177158 PDVDKYKAPIWARY-PWCBAIFVSA-N 360.414 3.461 10 40 FGCB COCCN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)C(C(=O)OC)=C1C 409000713 ZTADAEKNYSUYKR-LGMDPLHJSA-N 357.450 3.303 10 40 FGCB Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C(O)=NC2=S)cc1 1297308 WLDGJAGCVLLUMW-XYOKQWHBSA-N 357.347 3.168 10 40 FGCB COc1ccc(N2C(=O)/C(=C/C=C/Nc3ccccc3)C(=O)N=C2O)cc1 8994828 NQZDSRHGZYFTQL-SCQDGKBBSA-N 363.373 3.035 10 40 FGCB O=S(=O)(Nc1ccccc1OC(F)F)c1cccc2nsnc12 19077956 LZTSOSVWBIGVFP-UHFFFAOYSA-N 357.363 3.094 10 40 FGCB COc1cc(CN2CCC(Oc3cnccn3)CC2)ccc1N1CCCC1 36752796 SHYNHOFPFFFSEB-UHFFFAOYSA-N 368.481 3.129 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1 5321630 MBCSXDFTJPKQPA-UHFFFAOYSA-N 365.433 3.148 10 40 FGCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2 62225691 DULKGWRTBXGJOM-UHFFFAOYSA-N 352.434 3.378 10 40 FGCB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3sccc3C)C2=O)c1 408999390 KTCKHXOIXUONOU-GXDHUFHOSA-N 356.403 3.122 10 40 FGCB Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1-c1ccccc1F 3605709 GDYPAJHFOBGKPM-UHFFFAOYSA-N 371.441 3.163 10 40 FGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(C)cc2C)C1=O 408533261 RTZGFCYMXRCHTI-FOWTUZBSSA-N 363.417 3.445 10 40 FGCB COc1ccc(/C=C2\SC(=S)N(C(=O)c3cccnc3)C2=O)cc1 5513464 XWYSDQCSHMWWBT-ZROIWOOFSA-N 356.428 3.132 10 40 FGCB COc1ccc(N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 54105854 FBYABRNUXUZIHC-UHFFFAOYSA-N 350.422 3.067 10 40 FGCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/C=C/c1ccco1 1066709 KZWHYDFZLWFHNB-GSPDUGTFSA-N 358.806 3.321 10 40 FGCB O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccccc1F 47325947 FWKMIXJDGOXLFE-UHFFFAOYSA-N 357.429 3.356 10 40 FGCB O=C(N[C@H]1COc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 95390037 SCPKTMZASCLZDG-AEFFLSMTSA-N 368.433 3.217 10 40 FGCB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408941565 XBRBMRFLKCOHMV-LGMDPLHJSA-N 350.374 3.142 10 40 FGCB CCOC(=O)N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 3354994 FHXHCEVWXOSVOZ-UHFFFAOYSA-N 355.438 3.008 10 40 FGCB Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 4113211 DFGKPMCPHHGNKD-UHFFFAOYSA-N 354.387 3.220 10 40 FGCB COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC 409147521 MJDFDNGCTZZJDU-WJDWOHSUSA-N 368.414 3.104 10 40 FGCB COc1cccc(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)c1 604418830 IOLCVBOKZKYAQY-UHFFFAOYSA-N 367.401 3.210 10 40 FGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)C2=O)c1 20841903 HJOPHTNMKGCBKQ-BOPFTXTBSA-N 359.385 3.451 10 40 FGCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCCCC1 4263542 QNTAXLGGWAKVHE-WYMLVPIESA-N 364.492 3.274 10 40 FGCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)ccc1O 38162840 TZFZJRATRMFFRR-UVTDQMKNSA-N 368.414 3.463 10 40 FGCB CC1(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C2=O 16740317 UFGLTFJWIVUUGH-MEDUHNTESA-N 355.312 3.098 10 40 FGCB CN(C)CCN(Cc1ccncc1)Cc1ccc(N2CCCC2)c(F)c1 19582708 BUHHWQYXUSMOPS-UHFFFAOYSA-N 356.489 3.385 10 40 FGCB O=C1NC(=O)C(=Cc2ccc(-c3ccc(SC(F)F)cc3)o2)C(=O)N1 1453191 DXVHLZHRWDITMS-UHFFFAOYSA-N 364.329 3.011 10 40 FGCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NC1CCCC1 4263544 ZWVJMBMHSLFQES-SDNWHVSQSA-N 364.492 3.320 10 40 FGCB CCn1c2ccccc2c2cc(/C=C3\C(=O)NC(=S)N(C)C3=O)ccc21 408912336 QLFADDAMQXTDPG-RVDMUPIBSA-N 363.442 3.071 10 40 FGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccncc1 16790000 MEIFIIWRZJYAMJ-LGMDPLHJSA-N 368.437 3.013 10 40 FGCB COc1ccc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)cc1 5284633 OOUBYGCUIICOLA-CKXDQPNJSA-N 365.476 3.396 10 40 FGCB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 13008145 BLOVLSRBXZPJRF-OAQYLSRUSA-N 367.493 3.110 10 40 FGCB COc1cc(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)ccc1O 109598446 OVFQSEBBFNMNEZ-OQLLNIDSSA-N 370.386 3.181 10 40 FGCB COC(=O)C1=CN(c2ccc(F)c(F)c2)c2ccc(F)cc2S1(=O)=O 64979249 AIFGIYUUTDEHJG-UHFFFAOYSA-N 369.320 3.044 10 40 FGCB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\NC(=O)N=C2O)c1C 206089116 GLFGUNRWWFKULM-QPEQYQDCSA-N 356.338 3.032 10 40 FGCB COc1ccc(OC)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 13689621 OAGJKPIQYATPGU-MLJKTZRHSA-N 365.476 3.084 10 40 FGCB CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc(O)c(O)c3)n2)cc1 5179646 VXARSKDAMHBREM-UHFFFAOYSA-N 355.419 3.420 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N(C)C 33403540 NFUMJTRVGAFMCW-SFQUDFHCSA-N 350.378 3.467 10 40 FGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1ccco1 6615649 VAUGLKANZKAMIC-VBKFSLOCSA-N 357.410 3.211 10 40 FGCB CCN(CC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 10433985 SIIUYAVYSWCVCY-INIZCTEOSA-N 357.479 3.473 10 40 FGCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCCCC1 4857296 MJNXKPZGVAHYAD-QBFSEMIESA-N 366.533 3.352 10 40 FGCB Cc1cccc(N2C(=O)/C(=C\c3nc4ccccc4[nH]3)C(=O)N=C2S)c1 6813389 HGMMRIJTCNMYPC-RAXLEYEMSA-N 362.414 3.114 10 40 FGCB Cc1ccc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 12609764 ZKZDUAXPSCYACY-UHFFFAOYSA-N 368.477 3.177 10 40 FGCB Cc1c(O)c(CNCc2ccncc2)cc2c3c(c(=O)oc12)CCCC3 8915125 BILVTNMPQKPUDN-UHFFFAOYSA-N 350.418 3.371 10 40 FGCB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C(C)C 408963385 ZFKZEZCEJYNISW-LICLKQGHSA-N 369.396 3.491 10 40 FGCB COc1cccc(-n2c(C)cc(C(=O)Cn3c([N+](=O)[O-])cnc3C)c2C)c1 9421207 NOOMSHZRUBHOMC-UHFFFAOYSA-N 368.393 3.399 10 40 FGCB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 4192219 FVRNCVNABUFFEJ-SFHVURJKSA-N 368.412 3.158 10 40 FGCB CCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)OC)C2=O)cc1 27563096 JWYLPGHJLXMRCW-UXEDPAHQSA-N 365.476 3.238 10 40 FGCB CCCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CCCN3CCC)C1=O 2413839 HTAYAQZUFYDTRB-SAPNQHFASA-N 369.465 3.111 10 40 FGCB CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(N(C)C)cc1)C2O 19330388 HISZSDUNRSJINU-UHFFFAOYSA-N 357.542 3.330 10 40 FGCB CCCN1C(=O)/C(=C\c2ccc(OCC(=O)OCC)cc2)SC1=S 409329724 HSVBYGRFAWQMOV-GXDHUFHOSA-N 365.476 3.240 10 40 FGCB NS(=O)(=O)c1ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)cc1 3954397 NBQJKNSAKITVLO-FMQUCBEESA-N 371.374 3.306 10 40 FGCB in-vitro CC(C)OC(=O)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1276529 QIRXIGGGOOVYGX-GHXNOFRVSA-N 355.868 3.493 10 40 FGCB N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(c3cccnc3)=NN12 5195945 HEFIMPWTNDRIEK-CLFJUMGRSA-N 372.413 3.230 10 40 FGCB COCCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O 409243997 WCGFMAUZDQLGJT-LFIBNONCSA-N 364.442 3.499 10 40 FGCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/C=C/c1cccc([N+](=O)[O-])c1 33323393 FSUULLGJESJFBJ-ZRQJSYPSSA-N 369.764 3.266 10 40 FGCB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 192628720 AVQFVBKJUUILCZ-UHFFFAOYSA-N 356.403 3.323 10 40 FGCB CC[C@@H](C)[C@@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 2100721 JLWPTBYEBSJQOY-PIGZYNQJSA-N 355.390 3.241 10 40 FGCB biogenic CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(N(C)C)cc2)NN1C 4543656 ZJAGKQCWAVPIKX-LJQANCHMSA-N 371.872 3.264 10 40 FGCB CSc1nc(C)c(CCC(=O)NCc2ccc(N(C)C)cc2)c(C)n1 8172311 NPORHOZSCUXWKI-UHFFFAOYSA-N 358.511 3.130 10 40 FGCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)c2ncnn2C)c1 1116741436 XCFGUJBUXVHPCT-CYBMUJFWSA-N 357.845 3.367 10 40 FGCB Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN1CCN(C)CC1 20411954 ISXBQVUPLDVENQ-UHFFFAOYSA-N 364.445 3.221 10 40 FGCB COc1ccc(-n2c(C)cc(C(=O)CSc3nncn3C)c2C)cc1 3396519 JQFSCFININCMIZ-UHFFFAOYSA-N 356.451 3.206 10 40 FGCB CN1C(=O)/C(=C2/CC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 9047316 PASJATISHZEJTM-VKAVYKQESA-N 352.777 3.034 10 40 FGCB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 20036137 YTIBCIZSZOBMOG-NRFANRHFSA-N 368.477 3.305 10 40 FGCB NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 143726015 FRZVWENMAQXFAK-VFVRVIDISA-N 371.418 3.069 10 40 FGCB COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 59502718 LDQPUWFCSKVHRU-ZRDIBKRKSA-N 356.765 3.015 10 40 FGCB CN(C)c1ccc([C@H]2Nn3c(nnc3-c3cccc([N+](=O)[O-])c3)S2)cc1 3843233 WNZMCGOFONPLBG-INIZCTEOSA-N 368.422 3.267 10 40 FGCB biogenic CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 5334154 KWJLUDJDVNVVFR-YVLHZVERSA-N 365.389 3.426 10 40 FGCB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 113960421 ODWUWTWBXATIFF-GOSISDBHSA-N 368.477 3.224 10 40 FGCB COc1ccc2c(c1)CCCN2CC(=O)Nc1nnc(-c2ccccc2)o1 31559865 UCCSBRJCSBSAKY-UHFFFAOYSA-N 364.405 3.137 10 40 FGCB CC(C)c1noc(CCCC(=O)NCc2ccc(N3CCCC3)cc2)n1 52807147 KBQMOBWHTZYPID-UHFFFAOYSA-N 356.470 3.432 10 40 FGCB COc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)c(OC)c1 408934633 FKPIXJGKODYZAE-GZTJUZNOSA-N 350.374 3.146 10 40 FGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(C)c3ccccc23)C1=O 705263 PBQBRCZQEZICCW-LFIBNONCSA-N 359.385 3.153 10 40 FGCB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CC1 84436806 ZTTUHZUKRAKXGR-XFXZXTDPSA-N 352.506 3.008 10 40 FGCB O=C1Nc2ccccc2/C1=C1/SC(=S)N(Cc2ccccc2)C1=O 1235900 ACVNKYWKVROQFJ-PFONDFGASA-N 352.440 3.410 10 40 FGCB CCc1ccc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 41084820 MBSREWBGFWMZFA-BRHIJAEZSA-N 367.478 3.312 10 40 FGCB CC(C)COC(=O)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1282571 RRHQRTDRCVTWMC-QPEQYQDCSA-N 353.440 3.226 10 40 FGCB CC1(C)[C@@]2(C(=O)Nc3ccc(Br)cc3)CC[C@@]1(C)C(=O)C2=O 100867433 OZFUJBFGNYLQPM-IRXDYDNUSA-N 364.239 3.352 10 40 FGCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408809027 HBNUVAPFVHYIAR-SFQUDFHCSA-N 364.401 3.369 10 40 FGCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccccc1F 409148950 UXIXFYQVHVZRKD-OVCLIPMQSA-N 374.393 3.354 10 40 FGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccccc1 103916271 NEHKROIDMWRMMK-AQTBWJFISA-N 350.378 3.381 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(N2CCCC2=O)c1 57896839 CMEIDRSHQJFHJV-UHFFFAOYSA-N 351.450 3.152 10 40 FGCB O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 2672400 YWUOYVAXETUXMD-QPEQYQDCSA-N 363.391 3.372 10 40 FGCB CCOC(=O)c1cnn2c(O)cc(CN3CCC4(CCCCCC4)C3)nc12 79024448 CQORWGHWWNPHSN-UHFFFAOYSA-N 372.469 3.158 10 40 FGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 33678952 UMGNMHIXCCMXJY-ATVHPVEESA-N 369.417 3.088 10 40 FGCB COc1ccc(C(=O)Oc2ccccc2/C=C2\SC(=S)NC2=O)cc1 408878629 CJIGPHZTGNENJF-GDNBJRDFSA-N 371.439 3.403 10 40 FGCB COc1ccc(NC(=S)NCCN(C)c2ccc(C)cc2)cc1OC 225795348 BHZKJISWCIDCEF-UHFFFAOYSA-N 359.495 3.435 10 40 FGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 6096969 PCXNIDMYQSYNFU-SERMCNLOSA-N 371.480 3.233 10 40 FGCB COc1cc(CN2CCOc3cc(N(C)C)ccc32)cc(OC)c1OC 97379113 JVNWPZSUDHXNBC-UHFFFAOYSA-N 358.438 3.177 10 40 FGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1cccs1 4741361 QNIRBOGOVCQOII-AQTBWJFISA-N 369.446 3.078 10 40 FGCB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1C(C)C 113956519 HYQZYGLGOZIGMJ-UHFFFAOYSA-N 362.495 3.363 10 40 FGCB O=C1/C(=C/N2CCCc3ccccc32)SC(=S)N1C[C@H]1CCCO1 8992479 MKYSJLQCSVHUDY-IZCBMXNHSA-N 360.504 3.320 10 40 FGCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCC(Cc3ccccc3)CC1)C(=O)C2=O 2666636 HMXOJFWZKFSVNF-XZOQPEGZSA-N 367.489 3.432 10 40 FGCB COc1ccc(N2CCN(C(=O)CNc3ccc(Cl)cc3C)CC2)cc1 12543099 VXJFQAGRLMIFED-UHFFFAOYSA-N 373.884 3.418 10 40 FGCB CC1=NN(C(=O)c2ccccc2)C(=O)[C@H]1/N=N\c1ccc([N+](=O)[O-])cc1 104230887 OXFDNFJVBHIBOG-IJYGLTAASA-N 351.322 3.106 10 40 FGCB O=C1N=C(O)/C(=C/c2coc3ccccc3c2=O)C(=O)N1c1ccccc1 20332190 TVYQVRFFMXCNOC-GDNBJRDFSA-N 360.325 3.300 10 40 FGCB CCc1ccc(N2C[C@@](O)(c3ccc(OC)cc3)[N+]3=C2SCCC3)cc1 22404990 NTGMODGVYOQNKR-OAQYLSRUSA-N 369.510 3.428 10 40 FGCB CCc1ccc(N2C(=O)/C(=C/c3ccc(O)c(O)c3)C(O)=NC2=S)cc1 38177212 ZQDTYLIANBRVOA-NTEUORMPSA-N 368.414 3.332 10 40 FGCB O=C(Nc1ccccc1)c1cnn2c(O)cc(COc3ccccc3)nc12 19372991 KJOIWGHWCCGRAB-UHFFFAOYSA-N 360.373 3.266 10 40 FGCB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 1005986 YXKHNPRGMVBNTN-LFIBNONCSA-N 374.462 3.275 10 40 FGCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(N(C)C)cc3)C(=O)N=C2S1 4117424 YAYIRIXOFGLIIQ-MQDBOXDISA-N 355.467 3.418 10 40 FGCB CC[C@@H](C)OC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 4482887 LMHWJLVSQXAVIS-SEEODLKFSA-N 353.440 3.369 10 40 FGCB C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 100198356 ABARDPINZXVMIK-WFGDNEMVSA-N 357.425 3.458 10 40 FGCB COc1ccccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 17743819 RBMRRNMDKZPLGR-UHFFFAOYSA-N 355.438 3.196 10 40 FGCB COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1C 9367660 ODCGBCHALCMLMK-UHFFFAOYSA-N 354.450 3.112 10 40 FGCB O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 669312 JBIVLRBTPPKKDP-NTUHNPAUSA-N 355.756 3.422 10 40 FGCB Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccc(O)c1 9089836 UCVCWEUPYONQSM-UDWIEESQSA-N 373.412 3.261 10 40 FGCB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 15008543 ZWUFHMQPLSUVDE-OVCLIPMQSA-N 372.358 3.243 10 40 FGCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408810864 JSOJGFFQXCOXQY-GXDHUFHOSA-N 356.765 3.015 10 40 FGCB CC1=C(C(=O)O[C@H](C)C(C)(C)C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 715195 FRQCSLRBAMASTQ-DYVFJYSZSA-N 359.470 3.358 10 40 FGCB CC(C)c1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 5940143 LHEVFSZOHKMYAL-UHFFFAOYSA-N 364.492 3.260 10 40 FGCB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c3ccccc23)ccc1F 226862692 GWFFOXMIEFJBQU-UHFFFAOYSA-N 362.338 3.394 10 40 FGCB O=C(O)CCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1O 80316155 ZIMVMQWPQMYYOS-INIZCTEOSA-N 356.353 3.074 10 40 FGCB CCCCOc1ccccc1/C=C1/SC(=S)N(CC(=O)O)C1=O 2812033 OQEFHNSAVCOUCB-UKTHLTGXSA-N 351.449 3.151 10 40 FGCB COc1ccc(OC)c(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)c1 6952001 SKVFSKIDMPFKIQ-MRXNPFEDSA-N 374.487 3.070 10 40 FGCB CCOC(=O)[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@H]12 58850922 JNGJUSQLFSFYKE-UHIISALHSA-N 369.202 3.308 10 40 FGCB Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN1CCOCC1 26920243 SAVMIZWOTIBMAM-UHFFFAOYSA-N 351.402 3.306 10 40 FGCB COc1ccc(-n2c(C)cc(C(=O)CN3C[C@H](C)O[C@@H](C)C3)c2C)cc1 19902853 IVOWIOXCRUDIKD-HOTGVXAUSA-N 356.466 3.395 10 40 FGCB CCN1C(=O)/C(=C\c2ccco2)C(=O)N(c2ccc(Cl)cc2)C1=S 4739144 IFWBXJNGHJQNTA-GXDHUFHOSA-N 360.822 3.497 10 40 FGCB COC(=O)C1=CN(c2cc(C)cc(C)c2)c2cc(F)ccc2S1(=O)=O 64979180 YSHBQQLTKOMXEK-UHFFFAOYSA-N 361.394 3.382 10 40 FGCB CC(C)Oc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408866732 IFVSYMMUWGUBST-VBKFSLOCSA-N 366.442 3.305 10 40 FGCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1C(N)=O 223282121 RCGAGYIAQVGQDQ-UHFFFAOYSA-N 373.459 3.018 10 40 FGCB O=C1c2ccccc2C(=O)N1CCc1nc(-c2ccc(O)c(O)c2)cs1 256055353 CVOZNIUZKOOAFZ-UHFFFAOYSA-N 366.398 3.060 10 40 FGCB CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1ccc(Oc2ccccc2)cc1 100524805 WEAPLSBFXIYITQ-FZFLATATSA-N 353.407 3.393 10 40 FGCB NC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 6471633 YEBQCPWCYLYYOY-UHFFFAOYSA-N 370.883 3.180 10 40 FGCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc(F)cc2)o1 868846 TWSHEHPASLJVLH-LFIBNONCSA-N 358.394 3.388 10 40 FGCB COc1cc([N+](=O)[O-])ccc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 100031707 INLSQRQXBZRBMV-RVDMUPIBSA-N 352.350 3.322 10 40 FGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1 4704578 AWDYHHIXHOGYJS-UHFFFAOYSA-N 371.824 3.181 10 40 FGCB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CCCC1 4855713 QCBRTHWLVNTUKL-RAXLEYEMSA-N 366.533 3.398 10 40 FGCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\Nc1ccccc1F 9319908 FVLDUPYGVVRHOI-OWBHPGMISA-N 357.385 3.090 10 40 FGCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 408872265 CDJVHFKLUIPDHX-SFQUDFHCSA-N 350.374 3.060 10 40 FGCB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 4193735 XQTZPHCERADDJP-GDNBJRDFSA-N 355.444 3.446 10 40 FGCB COc1ccc2sc(NC(=O)[C@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)nc2c1 102616670 MDNZQYDXZYWXJJ-OALUTQOASA-N 372.446 3.208 10 40 FGCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(OC)c1OC 2322333 PKFHOVCHLHQOHQ-JYRVWZFOSA-N 353.465 3.322 10 40 FGCB Cc1nn(C)c2sc(C(=O)NCc3ccc4c(c3)CCCN4C)cc12 69950701 HCGPWRZJHZKZNO-UHFFFAOYSA-N 354.479 3.256 10 40 FGCB COc1ccc(-c2nnc3n2N[C@H](c2ccc(N(C)C)cc2)S3)cc1 3843154 VBJVZYNXZDIZTG-KRWDZBQOSA-N 353.451 3.368 10 40 FGCB biogenic Cc1cc(C(=O)OCC(=O)NCc2cccs2)c(C)n1-c1ccccn1 30675734 HWMANMRPRUBNJO-UHFFFAOYSA-N 369.446 3.024 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1Cl 1161632 JGTMHRCMSRKDJE-FMDPHQNASA-N 356.765 3.464 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 408960138 CGYJPDYGVLWCDM-ZSOIEALJSA-N 368.305 3.015 10 40 FGCB O=C1N=C(O)/C(=C\c2ccc3c(c2)OCO3)C(=O)N1Cc1ccc(F)cc1 1245699 BGHDCRMPPHKQKQ-VGOFMYFVSA-N 368.320 3.057 10 40 FGCB O=C(N[C@@H]1COc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 95390035 SCPKTMZASCLZDG-FUHWJXTLSA-N 368.433 3.217 10 40 FGCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408807770 KYMSGOXRHQHASX-ACCUITESSA-N 370.792 3.405 10 40 FGCB COc1ccccc1-c1nnc2n1N[C@@H](c1ccc(N(C)C)cc1)S2 3843172 UXRILIZWBQUGOH-QGZVFWFLSA-N 353.451 3.368 10 40 FGCB biogenic CCCCS(=O)(=O)Nc1ccc(NS(=O)(=O)CCCC)c(C)c1 11851862 JKOUIENUVXALGA-UHFFFAOYSA-N 362.517 3.079 10 40 FGCB CN1CC[C@@]23Oc4ccccc4[C@@H](N(C)[C@H](c4ccccc4O)[C@@H]2C1)N3C 1889092504 WATXURHNNPDFGA-KVJIRVJXSA-N 365.477 3.050 10 40 FGCB O=C1c2ccccc2-c2nc3[nH]nc(O)c3c(-c3ccc([N+](=O)[O-])cc3)c21 18196147 IPGYHECYEPDIQB-UHFFFAOYSA-N 358.313 3.450 10 40 FGCB Cn1ccnc1[C@@H](NC(=O)CSc1nccs1)c1ccccc1F 32932263 CSOKFFUWXSXJEF-AWEZNQCLSA-N 362.455 3.014 10 40 FGCB Cc1cc(=O)oc2c(CN3CCN(c4ccccc4)CC3)c(O)ccc12 79480723 MFGYELAZDJJPOL-UHFFFAOYSA-N 350.418 3.129 10 40 FGCB biogenic COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 6634340 PGSLTLWXLCBGCV-WJDWOHSUSA-N 356.378 3.210 10 40 FGCB Cc1cc(/C=C/C(=O)N[C@@H](C)CN2CCCC2=O)c(C)n1-c1ccccc1 84081287 UYQWTKVFSTXBJD-PCUGXKRQSA-N 365.477 3.234 10 40 FGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 46173794 OOVLHCUIMNBZJJ-UHFFFAOYSA-N 364.449 3.119 10 40 FGCB O=C(O)CCC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1O 80316223 VNSDZQGVSVDOTA-MRXNPFEDSA-N 356.353 3.074 10 40 FGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(F)cc2C)cc1 225601205 VKBAIGOFCZIBGN-UHFFFAOYSA-N 350.459 3.459 10 40 FGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2cnco2)cc1 54285513 FDEFUGQTMVKLQA-UHFFFAOYSA-N 363.417 3.108 10 40 FGCB Cc1cc(C(=O)NCCc2cn3ccccc3n2)c(C)n1-c1ccccn1 29091261 WIYHXJOVVDPEFD-UHFFFAOYSA-N 359.433 3.109 10 40 FGCB O=C(O)COc1cccc(/C=C2\SC(Nc3ccccc3F)=NC2=O)c1 210431309 MWNNEUYDDMGNFI-DHDCSXOGSA-N 372.377 3.372 10 40 FGCB O=C1/C(=C/N2CCCc3ccccc32)SC(=S)N1C[C@@H]1CCCO1 8992478 MKYSJLQCSVHUDY-QXPQOBGOSA-N 360.504 3.320 10 40 FGCB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N\c3ccc(O)nc3)cc2)n1 104124346 TYXHQWIUGPWYLC-MRCUWXFGSA-N 370.394 3.102 10 40 FGCB CCOC(=O)N1CCC(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 24064523 XNKLNULNZPWAMV-UHFFFAOYSA-N 369.465 3.445 10 40 FGCB Cc1cc(C(=O)CN(C)CC(=O)NC(C)(C)C)c(C)n1-c1ccccc1F 57692607 QBBKYGHARQAZOI-UHFFFAOYSA-N 373.472 3.262 10 40 FGCB CC(C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21 409392114 LEMDFZDMUFYWGY-GZTJUZNOSA-N 374.400 3.284 10 40 FGCB COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc([N+](=O)[O-])c1O 36250247 UKZLWPJLXLAXOX-OVCLIPMQSA-N 367.361 3.424 10 40 FGCB CC(=O)N1CCN(c2ccc(OCCCOc3ccc(F)cc3)cc2)CC1 32668015 XDVOBKLGOCROEK-UHFFFAOYSA-N 372.440 3.342 10 40 FGCB CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O 408883428 UNRRSFJSRBQGRV-SSZFMOIBSA-N 364.401 3.314 10 40 FGCB CCC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 7380311 DBROAFOIFXHXCR-UHFFFAOYSA-N 367.449 3.006 10 40 FGCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(C(=O)O)c(O)c1 16284816 VIFURMJJPQZNQB-MHWRWJLKSA-N 365.389 3.426 10 40 FGCB Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1 61583512 PJQOLUZWBDLRDR-MRXNPFEDSA-N 365.399 3.461 10 40 FGCB Oc1c([C@@H](c2ccncc2)N2CCOCC2)cc(Cl)c2cccnc12 21486923 JDPDCZOGRJHMBV-GOSISDBHSA-N 355.825 3.410 10 40 FGCB Cc1cc(I)cc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@H]21 4817417 QTTDZDKFEMOZEY-OUJBWJOFSA-N 355.175 3.138 10 40 FGCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc(F)cc1F 47334163 ZLARWGZVLNHMKS-UHFFFAOYSA-N 365.355 3.262 10 40 FGCB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)(C)C 34883078 WAGAATKELMXRHE-VBKFSLOCSA-N 366.417 3.334 10 40 FGCB COc1cc([C@H]2CC(c3ccccc3O)=NN2C(C)=O)cc(OC)c1OC 66091763 HHILHXSEXCYEGG-MRXNPFEDSA-N 370.405 3.116 10 40 FGCB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S 35040375 NEKHJXULSQAYHQ-XNTDXEJSSA-N 372.446 3.301 10 40 FGCB COc1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1OC 6951362 RFDQTXSJNHOILU-JDNHBDJVSA-N 372.450 3.369 10 40 FGCB CC1(C)CC(NCc2c(O)ccc3c4c(c(=O)oc23)CCC4)CC(C)(C)N1 6719920 QEARCFHSNVGYBX-UHFFFAOYSA-N 370.493 3.386 10 40 FGCB CCN(CC)/N=N/c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 12508144 ZPZPFNTYBRUKJR-XUTLUUPISA-N 362.459 3.235 10 40 FGCB c1ccc(-c2cnc(SCCn3cncn3)n2C[C@H]2CCCO2)cc1 58328847 NGCMFCCLHOKUBG-MRXNPFEDSA-N 355.467 3.113 10 40 FGCB CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC)NC1=S 3667753 VUEPMWSECYLEFF-XFXZXTDPSA-N 369.284 3.315 10 40 FGCB CCOC(=O)c1c(N/C=C2\SC(=S)NC2=O)sc2c1CCCC2 618254747 HWNOSHGOOYWCHA-YFHOEESVSA-N 368.505 3.205 10 40 FGCB Cc1ccccc1/C=C1\SC(=S)N(NC(=O)Cc2ccccc2)C1=O 5551783 QMLRCLFTMPWQDO-VBKFSLOCSA-N 368.483 3.470 10 40 FGCB COc1ccc(N2CCN(C[C@H](O)c3c[nH]c4ccccc34)CC2)cc1 20358269 FQWQGJWISRBVCO-NRFANRHFSA-N 351.450 3.032 10 40 FGCB CCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(OC)cc2)CC1 57669690 OPNZWLMDQDMNTJ-SFHVURJKSA-N 372.517 3.100 10 40 FGCB CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 4126595 HKTLETRTGJBYFO-XHBKTUGNSA-N 373.522 3.277 10 40 FGCB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 20108236 FVNVBBXTBSXTJI-HNNXBMFYSA-N 374.868 3.260 10 40 FGCB COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc(O)c1O 9322133 WNXDATNDVBXMKN-IBGZPJMESA-N 366.373 3.466 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)c2cccc(C)c2[nH]c1=O 13409523 JQGGYSLWRDLXKW-WJDWOHSUSA-N 359.385 3.348 10 40 FGCB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\SC(=O)NC2=O)c1C 5571088 MOUCTFQOWSJBKV-NVNXTCNLSA-N 356.403 3.425 10 40 FGCB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3)C2)c(O)c1 810506 QZWKAXUXSCFPRV-KRWDZBQOSA-N 370.405 3.116 10 40 FGCB COc1ccc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1O 48748940 LMLHBFFRSXGFKA-GJZGRUSLSA-N 374.456 3.443 10 40 FGCB COc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)C(=O)NC2=S)cc1 408762733 LBCSNDALYQMSJE-UVTDQMKNSA-N 372.833 3.180 10 40 FGCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408869249 QBTOCONXXKMSIF-OQLLNIDSSA-N 356.765 3.015 10 40 FGCB CCCCCC[C@H](C)N/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2416039 PEPPBCYERXTTFF-WIOAZZGGSA-N 361.417 3.241 10 40 FGCB COc1ccc(N2CCCN(CC(=O)NC3CCCCCC3)CC2)cc1 52465580 ODNBALZGBLTROH-UHFFFAOYSA-N 359.514 3.046 10 40 FGCB Cc1noc(-c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2)n1 22967520 RPMLOWDDOUFODH-UHFFFAOYSA-N 350.422 3.383 10 40 FGCB CN1NC(C(=O)/N=N/C(=O)c2cc3c(s2)CCCCCC3)=CC=C1O 14016114 IQCDHKSPRMEMFD-VHEBQXMUSA-N 360.439 3.259 10 40 FGCB CC(C)N1c2ccc(C=C3C(=O)NC(=S)NC3=O)cc2[C@H](C)CC1(C)C 260573647 ZIESDXHSSZOQKQ-GFCCVEGCSA-N 371.506 3.102 10 40 FGCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccccc1F 6026054 LIXDPNAEBVCGTI-YBEGLDIGSA-N 352.365 3.094 10 40 FGCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1Cl 6267374 BVRQVFJJPMFOLC-MHWRWJLKSA-N 355.825 3.176 10 40 FGCB CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 828461 JUFINDPJIJGXPY-SFHVURJKSA-N 359.470 3.360 10 40 FGCB COc1ccc(N2CCN(C(=O)CNc3ccc(Cl)cc3)CC2)cc1 12512096 WPOWEBGLDUBHBX-UHFFFAOYSA-N 359.857 3.109 10 40 FGCB COc1ccc(NC(=O)c2ccc3c(c2O)C(=O)c2ccccc2C3=O)cc1 4535876 IMENXEDJLBWHSG-UHFFFAOYSA-N 373.364 3.429 10 40 FGCB CN1CCc2cc([C@H](CNC(=O)c3ccc(F)cc3)N3CCCC3)ccc21 8963282 RRTUVOHKTAGDHQ-NRFANRHFSA-N 367.468 3.385 10 40 FGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccccc3Cl)C2=O)c1 5648162 SMSOHQYHOWVPPW-JLHYYAGUSA-N 355.781 3.227 10 40 FGCB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 408968196 XECGIBPUKGUVQX-YRNVUSSQSA-N 364.785 3.212 10 40 FGCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(O)cc2)C1=O 408882684 QEQYJMDKWNMNCL-RIYZIHGNSA-N 356.765 3.020 10 40 FGCB Cc1cc(CN2C(=O)Nc3c(C)cccc3S2(=O)=O)ccc1N(C)C 1307381815 SOBRAPGTHFRWEW-UHFFFAOYSA-N 359.451 3.106 10 40 FGCB O=C(OCCNc1cccc2c1C(=O)c1ccccc1C2=O)c1ccco1 4593342 PANHDDUXYYQHLU-UHFFFAOYSA-N 361.353 3.324 10 40 FGCB COc1ccc(N2CCN([S@](=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 4624086 JGZCAKYMDCHQGL-YDUUFUAJSA-N 374.550 3.450 10 40 FGCB Cc1nc(C2(NC(=O)/C=C/c3ccc4c(c3)CCCN4C)CCCC2)no1 61136412 HVYFRKXTLZRSMT-CSKARUKUSA-N 366.465 3.359 10 40 FGCB O[C@]1(c2ccc(F)cc2)CN2CCCSC2=[N+]1CCc1ccccc1 3246609 HTKBHXYOLKVIPQ-FQEVSTJZSA-N 357.474 3.035 10 40 FGCB OC1CCN(c2ccc(CNCc3cccc(F)c3F)cc2F)CC1 107711988 KWURMQDAGHAZIC-UHFFFAOYSA-N 350.384 3.355 10 40 FGCB CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2OC)c2ccccc21 409205771 FOIZPKRGQJWTDR-XMHGGMMESA-N 364.445 3.439 10 40 FGCB COCCn1c(-c2ccccc2)cnc1SCC(=O)Nc1nccs1 44085847 PAKOZTXOOGBMRY-UHFFFAOYSA-N 374.491 3.384 10 40 FGCB COc1ccc(/C=C2\SC(=S)N(CNc3cccnc3)C2=O)cc1 101459543 ZMGKYHXVSGAULU-DHDCSXOGSA-N 357.460 3.361 10 40 FGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3C)C2=O)cc1 408981340 AUVALGPGJXTRMV-PDGQHHTCSA-N 364.401 3.232 10 40 FGCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3C)C(=O)NC2=S)cc1 409379585 XYQHHNHRBQNABL-SFQUDFHCSA-N 350.443 3.389 10 40 FGCB CC(C)C(=O)Nc1cc(NS(=O)(=O)/C=C/c2ccccc2)ccc1O 36392706 NBQJBGDCQLEENA-ZHACJKMWSA-N 360.435 3.399 10 40 FGCB COc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 22418314 SNIORTDKQCBWOO-GOSISDBHSA-N 356.470 3.186 10 40 FGCB CN(C)c1ccc(CNC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1 58157598 UPYYTYGDOSLILN-UHFFFAOYSA-N 366.465 3.310 10 40 FGCB Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 113945657 GGDUHMBTUVBSQO-GOSISDBHSA-N 368.477 3.224 10 40 FGCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c1 5410471 WYYHOPRRRYYUIF-RIYZIHGNSA-N 357.412 3.496 10 40 FGCB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N)cc1 3252146 AKQFSJGSWXMWPE-UHFFFAOYSA-N 371.256 3.231 10 40 FGCB CN(C)/N=N/c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4831827 AQWDHDXEMXGBQL-XUTLUUPISA-N 362.499 3.494 10 40 FGCB COCCCN1C(=O)/C(=C/c2c(F)cccc2Cl)C(C(=O)OC)=C1C 32109302 IHYIRGHUDLSWJI-JLHYYAGUSA-N 367.804 3.188 10 40 FGCB CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1\SC(=O)NC1=S 96305995 ULLDUHAQUCWVSV-WQLSENKSSA-N 359.432 3.174 10 40 FGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccc(C(=O)O)c(O)c1 18209605 ZZDQYKQJOSBZLE-MHWRWJLKSA-N 351.362 3.117 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(Cl)cc3)C2=O)cc1 95108944 OGGJPMROJYOUKB-XNTDXEJSSA-N 355.781 3.227 10 40 FGCB O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2cccc(O)c2)C1=O 2451220 XZWDTPDPCYLUAB-YPKPFQOOSA-N 354.412 3.120 10 40 FGCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCCOC 100163459 UYVXMVNQYJVBBN-OUKQBFOZSA-N 358.467 3.309 10 40 FGCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)c1 5347934 YMGIJUKMVDMGRY-VGOFMYFVSA-N 373.411 3.202 10 40 FGCB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)n1-c1ccccc1 96901202 LOWWUGJFIKLJBS-HDICACEKSA-N 362.429 3.228 10 40 FGCB O=C1/C(=C\N2CCCc3ccccc32)SC(=S)N1C[C@H]1CCCO1 30819328 MKYSJLQCSVHUDY-RGHBXIHOSA-N 360.504 3.320 10 40 FGCB N=C1/C(=C/c2ccc(Cl)cc2)C(=O)N=C2SC(N3CCCC3)=NN12 41084968 RQFNUSONHHUULJ-CFIXHINXSA-N 359.842 3.012 10 40 FGCB CC1=C(C(=O)O[C@H](C)C(C)(C)C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 715194 FRQCSLRBAMASTQ-CXAGYDPISA-N 359.470 3.358 10 40 FGCB CCN(CC)c1ccc(/C=C2/C(=O)N(C[C@H]3CCCO3)C(=O)N=C2O)cc1 1156121 JMMZNRHHHLCSTO-QRYYFKOISA-N 371.437 3.014 10 40 FGCB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 1431398 ALUWMGQAGACOIG-IBGZPJMESA-N 361.449 3.137 10 40 FGCB Cc1cc(=O)[nH]c(NNC(=S)Nc2ccc(Oc3ccccc3)cc2)n1 15481583 MQWMSWHBFSDYKM-UHFFFAOYSA-N 367.434 3.184 10 40 FGCB Cc1c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc2n1C 409097861 NTJRFHRFWKDLGD-NTEUORMPSA-N 360.460 3.163 10 40 FGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(Cl)c3)C2=O)cc1 408875733 KJODFVYVFXDILV-XNTDXEJSSA-N 356.765 3.015 10 40 FGCB CC(C)c1nc2c(c(N3CCCC3)n1)CCN(Cc1ccccc1O)C2 19453653 LNWSWZQBPZDYFV-UHFFFAOYSA-N 352.482 3.464 10 40 FGCB COC(=O)c1ccc(Oc2coc3c(CN(C)C)c(O)ccc3c2=O)cc1 20357852 QEYXOTZQOJIFBO-UHFFFAOYSA-N 369.373 3.139 10 40 FGCB CCCCN1C(=O)NC(=O)/C(=C/c2ccc(N3CCCCCC3)cc2)C1=O 5477794 WJKGCZDFUYJCLY-SDXDJHTJSA-N 369.465 3.329 10 40 FGCB COc1ccc(N2CCN(Cn3nc(-c4ccco4)oc3=S)CC2)cc1 56552765 OTPOIMHLVDHOPJ-UHFFFAOYSA-N 372.450 3.254 10 40 FGCB Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1Cc1ccccc1 3859016 YZQZNBIKUPFPCX-WNMDJLCMSA-N 363.446 3.402 10 40 FGCB CCN(CC)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 19312361 SKVUEODTRWHJPJ-UHFFFAOYSA-N 351.450 3.330 10 40 FGCB CCCCOc1ccc2ccccc2c1C=C1C(=O)N(C)C(=O)N(C)C1=O 6203999 CMGYECRAGWRWKA-UHFFFAOYSA-N 366.417 3.453 10 40 FGCB CSc1cccc(-n2c(C)cc(C(=O)CSc3n[nH]c(N)n3)c2C)c1 9335825 XSRFENPKMYIUFF-UHFFFAOYSA-N 373.507 3.491 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)ccc3C)CC2)cc1 13710483 VYOVJXQMIMCYIS-SFHVURJKSA-N 368.477 3.428 10 40 FGCB CCn1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 4544563 RVOKMCOVOYWIFB-YBEGLDIGSA-N 371.824 3.445 10 40 FGCB CCN1C(=O)C(=Cc2ccc(Cl)cc2Cl)C(=O)N(CC)C1=S 6654825 KOOIDWFOWPAJKB-UHFFFAOYSA-N 357.262 3.372 10 40 FGCB Cc1cc(N(CCO)CCO)ccc1/N=N/c1nc2ccccc2n1C 4786067 LPTOUOPZZQTLBF-QURGRASLSA-N 353.426 3.088 10 40 FGCB COc1ccc(N2CCN(C[C@@H](O)c3c(C)[nH]c4ccccc34)CC2)cc1 19581662 RYEBWJMQXHILMF-OAQYLSRUSA-N 365.477 3.341 10 40 FGCB NC(=O)c1c(NS(=O)(=O)c2ccc3ccccc3c2)sc2c1CCC2 6507473 IBBXFZJWFHNGAS-UHFFFAOYSA-N 372.471 3.290 10 40 FGCB Cc1ccc(O)c(/C=C2/C(=O)NN(c3cc(Cl)cc(Cl)c3)C2=O)c1 5961196 GBZCTGRYVBSRIM-RZNTYIFUSA-N 363.200 3.469 10 40 FGCB CCOc1cc(/C=C2\C(=O)N(C3CCCC3)C(C)=C2C(=O)OC)ccc1O 35241328 KZIBDIDATRDZHU-WJDWOHSUSA-N 371.433 3.406 10 40 FGCB COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1C 49740449 WCPCIZVTRRADBD-UHFFFAOYSA-N 374.506 3.391 10 40 FGCB Cc1ccc(-n2cccc2C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Cl 660809 COZNYCFDJQCKEU-UHFFFAOYSA-N 373.865 3.038 10 40 FGCB Cc1ccc(N2C(=O)N=C(O)/C(=C/Nc3cccc(N)c3)C2=O)cc1C 103121888 ZRJGDBKBPWDHIK-YBEGLDIGSA-N 350.378 3.305 10 40 FGCB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1Br 3581210 ZIPJNSYGIJAJEJ-UHFFFAOYSA-N 370.224 3.287 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 408801362 AEUIDOWBMRHUMM-GXDHUFHOSA-N 370.792 3.323 10 40 FGCB CNC(=S)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(N(C)C)cc1 95116028 GKFMBGRUYOJDST-LJQANCHMSA-N 368.506 3.417 10 40 FGCB CCc1cc(=O)oc2c(CNC3CC(C)(C)NC(C)(C)C3)c(O)ccc12 8913960 ZWRYOSHQTFSMIN-UHFFFAOYSA-N 358.482 3.460 10 40 FGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/N[C@@H](C)c3ccccc3)C2=O)c1 5734516 IJUILNXQTVEIIV-BRYHAGSVSA-N 363.417 3.121 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1c[nH]c2ccccc12 7104649 QVEWTVLAEVFZSJ-UHFFFAOYSA-N 365.433 3.049 10 40 FGCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1O 408896728 ZKYRFWIGMDSLBF-KAMYIIQDSA-N 353.349 3.409 10 40 FGCB CCN1c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223526942 OGBXNIYVKGNALP-XBUHWIKASA-N 371.506 3.055 10 40 FGCB Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccccc3O)n2)c1 15674392 RXRKLXJLZGSIAW-SJORKVTESA-N 351.406 3.059 10 40 FGCB biogenic,in-vitro CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(Br)c2)cc1 2497144 IACZNPMHGNCRAQ-UHFFFAOYSA-N 372.240 3.354 10 40 FGCB Cc1cccc(C(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)n1 28296837 LSQDQUVYYNDTPA-XNTDXEJSSA-N 354.456 3.452 10 40 FGCB Oc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 67898757 DMVDCSHGIPMIMG-SFHVURJKSA-N 353.397 3.495 10 40 FGCB biogenic,in-vitro CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Br)cc1)C(=O)C2=O 100867430 OZFUJBFGNYLQPM-IAGOWNOFSA-N 364.239 3.352 10 40 FGCB COc1ccc(N(CCC(N)=O)Cc2ncc(-c3ccccc3)o2)cc1 8726592 GVNMUFPGGJIXDQ-UHFFFAOYSA-N 351.406 3.232 10 40 FGCB CN1CCCc2cc(CN3CCC(CC(=O)N4CCCC4)CC3)ccc21 19748469 GJXQNYJKPWZIQM-UHFFFAOYSA-N 355.526 3.294 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Cl)cc1 9154728 GTBJVXRJSHJSBI-UHFFFAOYSA-N 374.868 3.214 10 40 FGCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375044 NJVQXPNCQGFUDC-AQVMYJKNSA-N 363.460 3.200 10 40 FGCB COc1cc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)cc(OC)c1O 9188877 QVYMGOMXQNSEHA-GDNBJRDFSA-N 362.451 3.112 10 40 FGCB COc1cc([C@H]2CC(c3cccs3)=NN2C(C)=O)c(O)c([N+](=O)[O-])c1 4393224 BXDDFPUDDMZGHY-CYBMUJFWSA-N 361.379 3.068 10 40 FGCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375020 ZBDQNTOLIHPORX-HRYODUOUSA-N 363.460 3.200 10 40 FGCB NC(=O)[C@H]1CCCN(c2ccc(CNCc3ccc(Cl)s3)cc2)C1 54179460 FQDVIPZMQHQEJV-AWEZNQCLSA-N 363.914 3.393 10 40 FGCB CCOc1cccc(/C=C2\C(=O)N(C3CCCC3)C(C)=C2C(=O)OC)c1O 108720462 PJMQDQMQSPTJQR-VBKFSLOCSA-N 371.433 3.406 10 40 FGCB CN1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccccc1O)N2 64775571 NPHQUWAQGKHKPK-KRWDZBQOSA-N 351.450 3.043 10 40 FGCB biogenic COC(=O)c1ccc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)cc1 5586285 KZAVTNNRADSNHF-GDNBJRDFSA-N 354.387 3.261 10 40 FGCB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(N2CCCC2)cc1 10113483 RLBLCPOSDWBAOE-UXBLZVDNSA-N 350.418 3.345 10 40 FGCB Cc1cc(C(=O)[C@@H](C)OC(=O)C2=COCCO2)c(C)n1-c1ccccc1 7655501 MIKVBJKNJBVZAH-OAHLLOKOSA-N 355.390 3.097 10 40 FGCB COc1ccc(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)cc1 868842 BEWNOFBVHCIYOH-SFQUDFHCSA-N 370.430 3.258 10 40 FGCB O=c1cc(-c2ccccc2)c2ccc(O)c(CNC[C@H]3CCCO3)c2o1 6670425 MPPLQRGHPBMMKP-OAHLLOKOSA-N 351.402 3.434 10 40 FGCB Cc1nc(C(=O)N(C)Cc2ccccc2O)nn1-c1ccccc1Cl 64035084 BTTHIVLMHAWLIU-UHFFFAOYSA-N 356.813 3.207 10 40 FGCB COc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(C)c3)nn2)cc1 216766308 FJRHMNBHNPKDIA-FQEVSTJZSA-N 350.422 3.179 10 40 FGCB COc1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)cc1 28210635 MCABWDIXTUQJTP-UHFFFAOYSA-N 350.340 3.075 10 40 FGCB O=c1c(-c2ccccc2F)coc2c(CN3CCCOC3)c(O)ccc12 32501406 DCROFPKMGRSACF-UHFFFAOYSA-N 355.365 3.485 10 40 FGCB biogenic COc1ccc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1C 6963994 OZHRCGPHCAXCBG-INIZCTEOSA-N 358.488 3.370 10 40 FGCB O=C(CNC(=O)C1CC1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 48678479 QJHVPEZBQIASSZ-JOCHJYFZSA-N 374.440 3.277 10 40 FGCB CCCOC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 4567620 ZBJVRNLZXKZJCN-IWQAVIMZSA-N 365.476 3.238 10 40 FGCB COC(=O)CCCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S 4860304 PMQYPUDRJMXBKG-SDNWHVSQSA-N 365.476 3.327 10 40 FGCB O=c1oc2c(CNCCCn3ccnc3)c(O)c(Cl)cc2c2c1CCC2 20623801 JSTCHUAKBRQIRU-UHFFFAOYSA-N 373.840 3.017 10 40 FGCB CN1CCN([C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)CC1 19680914 MIGHUSJWTOALIP-HXUWFJFHSA-N 351.425 3.416 10 40 FGCB C[C@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 4745782 RRAQXCYZVBFMBU-MHZFXIRXSA-N 353.852 3.484 10 40 FGCB O=C(O)CCCN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S 6660539 KYDQRDQPJVAXBB-UVTDQMKNSA-N 358.444 3.301 10 40 FGCB Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1-c1ccc2c(c1)OCCO2 7986059 VOVQTLMOCOBDQP-UHFFFAOYSA-N 369.417 3.391 10 40 FGCB CO[C@@]1(c2nnc(COc3ccc4c(c3)c(C)c(C)n4C)o2)CCOC1 643652174 XAIHVTMGFANBJI-IBGZPJMESA-N 357.410 3.019 10 40 FGCB Oc1ccc(Cl)cc1C1=NC2(CCNCC2)N[C@H](c2ccccc2O)C1 15830200 XWRFAPAMEKGFSG-INIZCTEOSA-N 371.868 3.355 10 40 FGCB C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 100198360 ABARDPINZXVMIK-WNVHLOTPSA-N 357.425 3.458 10 40 FGCB Cc1cccc(NC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c1 35597200 MYMTXTBFDGSBQH-HXUWFJFHSA-N 352.482 3.412 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccncc2)n(C)c1=S 12533781 BUCHMHYRGVCBOR-UHFFFAOYSA-N 368.510 3.169 10 40 FGCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408819082 YCIMOIMQALUKQN-GHRIWEEISA-N 364.401 3.450 10 40 FGCB COc1cccc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)c1 16227935 AONTVRJLQSGMPC-DHDCSXOGSA-N 367.317 3.110 10 40 FGCB O=c1oc2c(CNC[C@H]3CCCO3)c(O)c(Cl)cc2c2c1CCCC2 20573022 NFAGRKJLEJRLJG-LLVKDONJSA-N 363.841 3.299 10 40 FGCB O=c1oc2c(CNC[C@@H]3CCCO3)c(O)c(Cl)cc2c2c1CCCC2 20573019 NFAGRKJLEJRLJG-NSHDSACASA-N 363.841 3.299 10 40 FGCB CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 4043393 HKTLETRTGJBYFO-PZPSRYQVSA-N 373.522 3.277 10 40 FGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2226089 ZDMIDMZFBBFZMA-HQQGHWSLSA-N 361.448 3.017 10 40 FGCB CCCOC(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S 27530568 KKUAPXLDDUMHNV-JLHYYAGUSA-N 353.440 3.370 10 40 FGCB C[C@@H]1CC(C)(C)N(C)c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc21 113775712 DGWLTNPBXWELID-GFCCVEGCSA-N 371.506 3.007 10 40 FGCB COc1cccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)c1 222791236 VMJCJYOOBCXKMZ-UHFFFAOYSA-N 354.450 3.381 10 40 FGCB CCCOc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1 3300235 PECYOSWZEPRIPP-JLHYYAGUSA-N 351.449 3.151 10 40 FGCB CCOc1ccc(/C=C2\SC(=S)N([C@@H](CC)C(=O)O)C2=O)cc1 4356832 SNMPVKBQCAFOTE-VWLVURMCSA-N 351.449 3.150 10 40 FGCB COc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1C 96931591 RZUHTUVMQQYYNI-UKTHLTGXSA-N 351.449 3.070 10 40 FGCB Cc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)o1 35648554 UOWJBQSLPMKBHW-QPEQYQDCSA-N 361.400 3.398 10 40 FGCB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 14011377 RVOKMCOVOYWIFB-MHWRWJLKSA-N 371.824 3.445 10 40 FGCB COc1cc(CN(C)Cc2cc3c(cc2O)OCO3)ccc1OC(F)F 8072549 KQXMXUKDADUGSV-UHFFFAOYSA-N 367.348 3.363 10 40 FGCB COCCN1C(=O)/C(=C\c2cccc(OC)c2OC(C)C)SC1=S 14186781 VJKUOLWISWHEKS-GXDHUFHOSA-N 367.492 3.330 10 40 FGCB CCCOc1cccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408934151 CPGZZFGOGXPUKE-GHRIWEEISA-N 366.442 3.307 10 40 FGCB CCCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 218981861 VLFWOKLCTBZSAG-UHFFFAOYSA-N 354.450 3.242 10 40 FGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc2[nH]c(=O)[nH]c2c1 101125179 RAOYKCHUHYUBRX-NTEUORMPSA-N 367.796 3.228 10 40 FGCB COc1ccc(/C=C2\SC(NC3CCCC3)=NC2=O)c(OC)c1OC 21313807 YUZDRNFPZQTZCK-UVTDQMKNSA-N 362.451 3.215 10 40 FGCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O 409245571 VZLPGJZCQLCFMJ-SFQUDFHCSA-N 367.474 3.463 10 40 FGCB CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccs1 21391524 IUIKSHPKWRYRQT-QGZVFWFLSA-N 359.495 3.040 10 40 FGCB COc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3SC(C)C)cc1 4916999 UHXLBMXKXOCVCB-XWFJYDPRSA-N 360.464 3.413 10 40 FGCB COc1cccc(CN2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)c1O 100141001 GJZWSDGMISAFKT-GDBMZVCRSA-N 350.422 3.014 10 40 FGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1 100148816 ZZDQYKQJOSBZLE-YBEGLDIGSA-N 351.362 3.117 10 40 FGCB CC(=O)n1c(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 107745748 PDFSGNUOSUSHIF-PDGQHHTCSA-N 359.385 3.071 10 40 FGCB CCOc1ccc(S(=O)(=O)NCc2ccc(N(CC)CC)cc2)cc1 223328952 NJCAJZIQOBDECQ-UHFFFAOYSA-N 362.495 3.410 10 40 FGCB CCN(CC)c1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(C)cc3)C2=O)o1 33323421 LCFKJAOKJBLEEX-VBKFSLOCSA-N 367.405 3.305 10 40 FGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 2428345 VQTCTJBYHCJMGX-OWTLUSIOSA-N 374.487 3.489 10 40 FGCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 409141045 TXJUENPYYFYUGJ-LFIBNONCSA-N 371.462 3.480 10 40 FGCB CN(C)c1ccc(CN2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@H]3C2)cc1 96245589 WCQQXAPDBUVAFU-KDURUIRLSA-N 364.493 3.348 10 40 FGCB O=C1CO[C@]2(CCCN(Cc3ccccc3O)CC2)CN1c1ccccc1 2037977744 BNKFCNYTHQEUCJ-QFIPXVFZSA-N 366.461 3.180 10 40 FGCB CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3c3cccn3C)ccc21 57662100 IQCNPEYNAHDCBB-HXUWFJFHSA-N 352.482 3.454 10 40 FGCB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC)c2O)N3)C1 4556324 LWUZERAPMGQMGU-MRXNPFEDSA-N 359.451 3.269 10 40 FGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(SC)cc3)C2=O)cc1 759604 LKOCQTXNUZBNRL-LFIBNONCSA-N 368.414 3.084 10 40 FGCB CCCCS(CCCC)=C1C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 13765246 SASZDIRTPKDBRU-UHFFFAOYSA-N 366.458 3.450 10 40 FGCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccccc1Cl 5523235 QCEBCUZOCCTLMS-QTNMRXCUSA-N 361.825 3.192 10 40 FGCB CCCCc1cc(=O)oc2c(CN[C@H](C(=O)O)[C@H](C)CC)c(O)ccc12 2137304 DGCSYLIWTOPBBP-XIKOKIGWSA-N 361.438 3.430 10 40 FGCB biogenic CCc1ccccc1N1C=C(C(=O)OC)S(=O)(=O)c2cc(F)ccc21 64979229 OPEOGRFZEATLSW-UHFFFAOYSA-N 361.394 3.328 10 40 FGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CCCCC1 112119212 XVEYTFRVYKEUBD-UYRXBGFRSA-N 373.428 3.288 10 40 FGCB CCCOC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 1809293 KVGGMXRBQRNBHS-WQLSENKSSA-N 355.868 3.494 10 40 FGCB Cc1c(-c2ccccc2)c(=O)oc2c(CN3CCOCC3)c(O)ccc12 20605048 HDYKDBOCZYSSPJ-UHFFFAOYSA-N 351.402 3.306 10 40 FGCB biogenic O=C1N=C(NC2CCCC2)S/C1=C/c1ccc(N2CCOCC2)cc1 65585188 HLTPLFXYCXIJRT-GHRIWEEISA-N 357.479 3.026 10 40 FGCB Cc1cccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)c1 35038729 QQQJZNSDGXVKFQ-LFIBNONCSA-N 368.483 3.470 10 40 FGCB CN(C)c1ccc(CN2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@@H]3C2)cc1 96245590 WCQQXAPDBUVAFU-OALUTQOASA-N 364.493 3.348 10 40 FGCB Cn1cccc1C(=O)NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 66323011 YWUPCWWPTMBZLC-UHFFFAOYSA-N 367.371 3.323 10 40 FGCB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)Oc3ccccc3)ccc21 41091548 XFMCUMLGOXIEFK-UHFFFAOYSA-N 364.378 3.230 10 40 FGCB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccccc1 4999669 VATGKJPCUGLACK-UYRXBGFRSA-N 367.380 3.478 10 40 FGCB Cc1cc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c(C)n1-c1ccccn1 84081389 DAQFULKPKCAAOD-GASCZTMLSA-N 369.465 3.435 10 40 FGCB Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 225853389 CDUQOYWFUZFSCH-CYBMUJFWSA-N 363.483 3.321 10 40 FGCB COc1cccc(CN2C[C@@H]3CCCN3C[C@H]2Cc2ccccc2)c1O 19567232 DGVVYFHIEXIKQZ-VQTJNVASSA-N 352.478 3.292 10 40 FGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 6395075 VGVHQQMRDUGHIM-WJDWOHSUSA-N 355.390 3.000 10 40 FGCB COc1ccc(N(CCn2nc3ccccn3c2=O)Cc2ccccc2)cc1 26913565 FMUNYYNCDPDAQX-UHFFFAOYSA-N 374.444 3.211 10 40 FGCB CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1O 15015195 CBGQEKXIRAJAAT-ZENNRRHLSA-N 365.476 3.171 10 40 FGCB Cc1cc(C)cc(Cc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2Cl)c1 408866649 HPRUHOFZULTIJM-UHFFFAOYSA-N 368.820 3.297 10 40 FGCB CCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 12635891 DNGXCKVUTJPWSN-AVMBBCFPSA-N 351.449 3.150 10 40 FGCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccn1 4745579 LPKCLAOTDWDRNL-ACCUITESSA-N 373.459 3.295 10 40 FGCB COc1ccc(N2CCCN(C(=O)c3ccsc3)CC2)c([N+](=O)[O-])c1 95360857 XZRHRVPAAJTBLL-UHFFFAOYSA-N 361.423 3.017 10 40 FGCB O=C1NC(=S)S/C1=C/c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1O 5773992 PNGFBRVOYPBKLN-NTEUORMPSA-N 372.427 3.380 10 40 FGCB Cc1nn(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)c(C)c1[N+](=O)[O-] 4623094 VUXZAJXRKPQQMO-UHFFFAOYSA-N 364.365 3.297 10 40 FGCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(C)cc3)S2)CC1 1438171 HAUSTIXOKXCVMQ-VBKFSLOCSA-N 358.463 3.240 10 40 FGCB CCN1c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2[C@H](C)CC1(C)C 113789271 YHMNTXRWQOSQOR-CYBMUJFWSA-N 369.465 3.233 10 40 FGCB CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3NC[C@@H](C(=O)O)S3)c2C)cc1 408980393 WHHIQDUYCYGVDC-DLBZAZTESA-N 374.462 3.059 10 40 FGCB Cc1nc([C@@H]2CCN(Cc3ccc(N4CCCCC4)cc3)C2)cc(=O)[nH]1 19285242 BMPYRKALBXBTMQ-GOSISDBHSA-N 352.482 3.058 10 40 FGCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375019 ZBDQNTOLIHPORX-IAOKNECISA-N 363.460 3.200 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(=O)C2CC2)c1 28329480 TWZINWNFDVJEEF-UHFFFAOYSA-N 351.450 3.373 10 40 FGCB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C\NCCC1=CCCCC1 5829857 LGTLKQDHOCLPDR-VKAVYKQESA-N 359.470 3.152 10 40 FGCB CC1(C)Cc2ccccc2/C(=C(\N=N\c2cccc([N+](=O)[O-])c2)C(N)=O)N1 100741980 NAKGPWBQCDCQLN-TVCFOCLESA-N 365.393 3.457 10 40 FGCB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCC(Cc3ccccc3)CC1)C(=O)C2=O 100867782 HMXOJFWZKFSVNF-DHIUTWEWSA-N 367.489 3.432 10 40 FGCB COc1ccccc1/N=N/c1c(N)nn2c(C(F)(F)F)cc(O)nc12 3849092 HASHQCBEGBLOLF-QZQOTICOSA-N 352.276 3.460 10 40 FGCB O=C(O)CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 2451381 DFQKHXIVYFGVOP-YFHOEESVSA-N 372.265 3.125 10 40 FGCB NC(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 6506694 ZJTXKEIEVDUMIX-UHFFFAOYSA-N 360.826 3.046 10 40 FGCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2cccn2C)SC1=S 5371643 DSDYGEFJZUUJCY-NTEUORMPSA-N 358.444 3.438 10 40 FGCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 5373598 SCAGRUNJHCHNBC-OIQXIXSWSA-N 365.476 3.396 10 40 FGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(C(=O)O)c(O)c1 101148268 DISQXXPFWLFDGK-OQLLNIDSSA-N 371.780 3.462 10 40 FGCB COc1ccc(N2CCN(c3nnc(SC(C)C)s3)CC2)cc1 23139964 QQAXWYKZVTXVIK-UHFFFAOYSA-N 350.513 3.374 10 40 FGCB Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 408915049 UCVQDYPCTOZJET-MHWRWJLKSA-N 363.348 3.282 10 40 FGCB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccncc1 409343537 HPDLXWAIHBNIOV-DHDCSXOGSA-N 358.444 3.158 10 40 FGCB Cc1cc(C(=O)NCC[C@@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCCO2 84080260 NOBNCHHHRHPKNR-KRWDZBQOSA-N 370.449 3.164 10 40 FGCB CCCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(C(=O)OC)=C1C 108029121 APMOXZGGXVPNSA-LCYFTJDESA-N 364.785 3.331 10 40 FGCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c([N+](=O)[O-])cc1OC 4020858 JTQCURYQPCFEPC-OQLLNIDSSA-N 367.361 3.418 10 40 FGCB Cc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)o1 35648550 XGFCWODMRSKYBM-QPEQYQDCSA-N 361.400 3.398 10 40 FGCB COC(=O)NCC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 53791732 ZUEWGRKZKFRNRB-HXUWFJFHSA-N 364.401 3.107 10 40 FGCB CN(C)c1ccc(CNC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 24980664 QCOZQFFZZIVTBY-UHFFFAOYSA-N 366.509 3.216 10 40 FGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NC1CCCCC1 4263501 BYLDHSVOQLGGQA-SDNWHVSQSA-N 364.492 3.320 10 40 FGCB Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c(C)c1 409148982 VJWXCCLIZSXZDE-ZXPNPXPCSA-N 352.415 3.284 10 40 FGCB COc1ccc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)c(OC)c1 42790525 UAVYMAJSBFZAQP-MRXNPFEDSA-N 356.466 3.391 10 40 FGCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)NC3=O)c2C)cc1 1208520 AFOMADSNZBIQCS-OQLLNIDSSA-N 356.403 3.205 10 40 FGCB Cc1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 44169073 BDNFIFKVYQZINV-UHFFFAOYSA-N 368.458 3.384 10 40 FGCB O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 59417965 JTQXYCOVTNMCRV-AUWJEWJLSA-N 374.399 3.412 10 40 FGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 408893359 MNZQJJSYMWXMIL-ATVHPVEESA-N 364.357 3.472 10 40 FGCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 5149722 MSKYNGWPKUVWHF-UGMNDJHYSA-N 360.460 3.243 10 40 FGCB COc1ccc2sc(NC(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)nc2c1 27026862 MDNZQYDXZYWXJJ-RBUKOAKNSA-N 372.446 3.208 10 40 FGCB CC[C@H](C)[C@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 2100719 JLWPTBYEBSJQOY-GTNSWQLSSA-N 355.390 3.241 10 40 FGCB biogenic O=C(Cc1nc2ccccc2nc1CC(=O)c1ccncc1)c1ccncc1 1588948 XCUVKVWGLLNOHS-UHFFFAOYSA-N 368.396 3.271 10 40 FGCB CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCCCC3)cc2)cn1 58213743 BWNABXASPGTMIO-UHFFFAOYSA-N 367.497 3.137 10 40 FGCB Nc1ccc(CC(=O)Nc2cccc(I)c2)cc1 20478156 JTCGKKDBBURSID-UHFFFAOYSA-N 352.175 3.055 10 40 FGCB C[C@H](NC(=O)N(C)Cc1ccccc1O)c1cccc(N2CCOC2=O)c1 65995285 DFVQCEGUVGSZEJ-AWEZNQCLSA-N 369.421 3.251 10 40 FGCB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1cccc([N+](=O)[O-])c1 408557195 NMXFBOGGGUMVML-UHFFFAOYSA-N 365.374 3.389 10 40 FGCB CCN(CC)c1ccc(CNC(=O)Cc2ccc(OC)c(OC)c2)cc1 224282130 MXYBLXLZWKKMME-UHFFFAOYSA-N 356.466 3.409 10 40 FGCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(O)c(C(=O)O)c1 101148544 IIZFTERXRCGJKU-OQLLNIDSSA-N 371.780 3.462 10 40 FGCB C[C@@H]1CN(c2ccc(CNc3ncccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 52457232 GXRVEVBVKCZNHF-CHWSQXEVSA-N 360.389 3.355 10 40 FGCB Cc1nc2cc(F)ccc2cc1C(=O)NCc1cc([N+](=O)[O-])ccc1O 32856014 OOJIREFJFWRNKX-UHFFFAOYSA-N 355.325 3.226 10 40 FGCB COCCN(C)CCCNC(=O)Nc1c(C)cc(Br)cc1C 48466894 GSSCWHNJVAIIDS-UHFFFAOYSA-N 372.307 3.156 10 40 FGCB C1=C(c2c[nH]c3ncccc23)CCN(c2ccc3nnc(C4CC4)n3n2)C1 597903135 JJLIYNYSTIZHPZ-UHFFFAOYSA-N 357.421 3.172 10 40 FGCB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)cc1 408892350 IIGUCNPITKAHJL-BOPFTXTBSA-N 353.349 3.409 10 40 FGCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 5392717 GDOXLNIPMMKLNO-NSHDSACASA-N 364.492 3.081 10 40 FGCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)NC2=S)cc1 5794234 AIDAOLPHOONJCJ-QGOAFFKASA-N 367.474 3.414 10 40 FGCB CN(C)c1ccc(/C=C2/SC(=S)N(C(=O)c3cccnc3)C2=O)cc1 16186320 CLTQURNHGXECOK-XNTDXEJSSA-N 369.471 3.189 10 40 FGCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1 5543591 QPOKMCJVLCUYLQ-GDNBJRDFSA-N 370.455 3.247 10 40 FGCB O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc2c(c1)OCCO2 33400669 BNMPTYFDWTVPCZ-OVCLIPMQSA-N 356.428 3.259 10 40 FGCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCCCC1 3066918 UZUSGDJYFGTDDK-SQFISAMPSA-N 360.504 3.290 10 40 FGCB C/C(NC#N)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 13662010 QCBMSCWWNKFBBG-VBKFSLOCSA-N 359.414 3.392 10 40 FGCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408811611 VXFIADCLNDBZMR-XNTDXEJSSA-N 370.792 3.323 10 40 FGCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(C)C(=O)N=C2O)o1 1201844 WPLBGMWTORBJLF-MDWZMJQESA-N 355.306 3.095 10 40 FGCB CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1 27530450 ZMORVSDYURMJKE-XNTDXEJSSA-N 355.444 3.446 10 40 FGCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408876496 LOOHYGKLFUSUAU-SFQUDFHCSA-N 364.401 3.369 10 40 FGCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)s1 408963918 AQOPFYDWKACSLL-VQHVLOKHSA-N 350.758 3.207 10 40 FGCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OC)SC1=S 5373563 XEJGPWJVWNQYOX-NEQSRXPGSA-N 365.476 3.396 10 40 FGCB O=C1CO[C@@]2(CCCN(Cc3ccccc3O)CC2)CN1c1ccccc1 2037977743 BNKFCNYTHQEUCJ-JOCHJYFZSA-N 366.461 3.180 10 40 FGCB CCN1C(=O)/C(=C\c2ccccc2Br)C(C(=O)OC)=C1C 6950739 MOKSWCFUXODFDO-XFXZXTDPSA-N 350.212 3.142 10 40 FGCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 408867174 JEPCDLIFADANLB-OQLLNIDSSA-N 370.792 3.323 10 40 FGCB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CCOCC2)cc1 113953754 BUMBMYAKQZHGGL-FQEVSTJZSA-N 368.477 3.305 10 40 FGCB CN(C)c1ccc(CNC(=O)CCc2nc(-c3ccccc3)no2)cc1 8172055 FIIRUPYROFWBJH-UHFFFAOYSA-N 350.422 3.052 10 40 FGCB Cc1noc(C)c1S(=O)(=O)NCc1ccc(N2CCC[C@H](C)C2)cc1 260790482 BMCPEMCBJCTDAL-ZDUSSCGKSA-N 363.483 3.006 10 40 FGCB CC/C(C)=C1\SC(N2CCN(c3ccccc3[N+](=O)[O-])CC2)=NC1=O 4335199 YUEVLWZOBHXJRE-QINSGFPZSA-N 360.439 3.030 10 40 FGCB Cc1cc(C(=O)NCC(C)(C)N2CCOCC2)c(C)n1-c1ccc(F)cc1 47872616 FLLGSEBATNXJIO-UHFFFAOYSA-N 373.472 3.074 10 40 FGCB O=C(O)c1cc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)ccc1O 27530371 VCMWPBAOVYUENA-VGOFMYFVSA-N 373.411 3.202 10 40 FGCB CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NCc1cccnc1 100249985 DNIFCJNXBDNDPZ-VBKFSLOCSA-N 356.813 3.105 10 40 FGCB CCOc1cccc(N2C(=O)/C(=C/c3ccccc3C)C(=O)NC2=S)c1 4742432 JKVVVGSQYUWGPB-GZTJUZNOSA-N 366.442 3.225 10 40 FGCB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccccc1 19842235 IDWZTYJIYGMXOX-CYVLTUHYSA-N 363.486 3.475 10 40 FGCB O=C(COc1ccc(F)cc1)NCc1ccc(N2CCSCC2)cc1 48374517 HSIHIOMBTAHGMN-UHFFFAOYSA-N 360.454 3.074 10 40 FGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1OC 5482401 NQTPOJVTIRXDAW-WJDWOHSUSA-N 353.374 3.161 10 40 FGCB Cc1cccc(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2SCCC3)c1 2966127 VNQMESYJNVYSFA-LJQANCHMSA-N 370.454 3.074 10 40 FGCB O=C(NN1C(=O)/C(=C/c2ccco2)SC1=S)c1ccccc1Cl 1281107 QFGICOMQJKEBGY-WQLSENKSSA-N 364.835 3.479 10 40 FGCB COc1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 64903678 UDBPEBJGZBVIHT-UHFFFAOYSA-N 357.479 3.018 10 40 FGCB CCOc1c(Cl)cc(Cl)cc1/C=C1/SC(NC(C)=O)=NC1=O 409092314 UFCAXHGKRKWIBV-VZUCSPMQSA-N 359.234 3.499 10 40 FGCB Cc1ccc(N2C(=O)/C(=C\c3nc4ccccc4[nH]3)C(=O)N=C2S)cc1 6813149 NTIBFLNLKKFHBF-RAXLEYEMSA-N 362.414 3.114 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)ccc3O)C2=O)cc1 4867078 NIDVNKUYNQFOFK-ZROIWOOFSA-N 356.765 3.020 10 40 FGCB CN(C)c1ncccc1CNC(=O)NCc1ccc(N2CCCCC2)cc1 58230110 KZRFWVYFBWOXHH-UHFFFAOYSA-N 367.497 3.137 10 40 FGCB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O 409250095 WADWFYJBRXZQIE-NTEUORMPSA-N 373.865 3.301 10 40 FGCB CCOc1ccccc1N1C[C@](O)(c2cccs2)[N+]2=C1SCCC2 26441539 HCQJCYQIZUIUBR-SFHVURJKSA-N 361.512 3.318 10 40 FGCB CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 828462 JUFINDPJIJGXPY-GOSISDBHSA-N 359.470 3.360 10 40 FGCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N=C3O)c2C)c1 843348 HJFKQBGVHYOVDS-UHFFFAOYSA-N 353.447 3.466 10 40 FGCB COc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1OC 54035675 DVVSKIKJGFCHAN-UHFFFAOYSA-N 372.490 3.187 10 40 FGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC1CCCCC1 112115361 FVIZVYURPOHRKC-RGEXLXHISA-N 355.438 3.149 10 40 FGCB O=C(c1nc[nH]c1/N=N/c1c(O)ccc2ccccc12)N1CCOCC1 6161440 CTFXOOKIFWRFQR-QURGRASLSA-N 351.366 3.156 10 40 FGCB O=C(NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1)c1ccc[nH]1 66323095 HRKFODJONAANSD-UHFFFAOYSA-N 353.344 3.312 10 40 FGCB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1C 409072808 LEEUNYKXTAHTCH-GZTJUZNOSA-N 351.406 3.100 10 40 FGCB COc1ccc(CN2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)c(O)c1 100140995 CHURFJISIMWOFF-RHSMWYFYSA-N 350.422 3.014 10 40 FGCB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 4082868 SIZYJBMJALZXEF-GOSISDBHSA-N 350.422 3.019 10 40 FGCB CCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)NC1=S 409392952 UJCIZISISGLIKB-JLHYYAGUSA-N 358.444 3.077 10 40 FGCB CCCCC1=NN2C(=N)/C(=C\c3ccc(O)c(OC)c3)C(=O)N=C2S1 5859769 PHOMGOLIHZERGJ-NGRIUPPZSA-N 358.423 3.210 10 40 FGCB Cc1[nH]c2ccccc2c1/C=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O 12372343 XJXLVDHRPXFZQZ-BOPFTXTBSA-N 359.385 3.138 10 40 FGCB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)ccc1Cl 5555408 XNFVDTWIVFKYRR-UHFFFAOYSA-N 363.178 3.408 10 40 FGCB C[C@H]1CN(c2ccc(CNc3ncccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 52457228 GXRVEVBVKCZNHF-BETUJISGSA-N 360.389 3.355 10 40 FGCB O=C1c2ccccc2N[C@@H](c2cc(O)c(O)c(Cl)c2)N1C[C@H]1CCCO1 8720422 UYBIEFJWCNLVDH-KZULUSFZSA-N 374.824 3.497 10 40 FGCB COc1ccccc1NC[C@@H](O)COc1ccc2c(C)c(C)c(=O)oc2c1 36575417 LPYCGEZAVJDNLE-OAHLLOKOSA-N 369.417 3.270 10 40 FGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 6096985 NGBCUZOLYWHZEJ-YIXGCBLDSA-N 359.519 3.156 10 40 FGCB COc1ccc(-c2coc3c(CN(C)C)c(O)ccc3c2=O)cc1OC 20411483 DSTIKNIEOHPCKA-UHFFFAOYSA-N 355.390 3.244 10 40 FGCB biogenic Cc1ccc(-c2ccc(/C=C3/C(=O)N(C)C(=S)N=C3O)o2)cc1[N+](=O)[O-] 4724058 WUAFYNJXDNMZTF-XYOKQWHBSA-N 371.374 3.260 10 40 FGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCCC2 54284915 MTMMEHAFPWHWQE-UHFFFAOYSA-N 350.462 3.332 10 40 FGCB [N-]=[N+]=CC(=O)[C@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21 307140511 IWVACDCSYKSLKI-LJQANCHMSA-N 361.401 3.270 10 40 FGCB CSc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 145080513 RWJKWGMOGAUHES-UHFFFAOYSA-N 350.509 3.295 10 40 FGCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 5371232 BKVBUWDYAXIFQC-OEMOTLHWSA-N 351.449 3.093 10 40 FGCB Cc1cccc(C)c1NC(=O)[C@H](c1ccc(N(C)C)cc1)N1CCC1=O 1020785 MLLJJRAOEAKBBB-FQEVSTJZSA-N 351.450 3.282 10 40 FGCB Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)n1-c1ccccn1 12590145 WQTREFDXSNITCO-UHFFFAOYSA-N 364.430 3.143 10 40 FGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 14010977 WURBBPCVWCWEIH-WQRHYEAKSA-N 365.433 3.309 10 40 FGCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O 409233994 VIMKXNPFXNJSNL-RVDMUPIBSA-N 366.442 3.143 10 40 FGCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc([N+](=O)[O-])cc1 20265146 KQVZZMUELPGYIE-ZROIWOOFSA-N 369.358 3.375 10 40 FGCB COc1cc(C2=NN(C(C)=O)[C@@H](c3ccccc3O)C2)cc(OC)c1OC 95946138 CQBPLXZJWZPDTJ-MRXNPFEDSA-N 370.405 3.116 10 40 FGCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(C=C3C(=O)NC(=O)NC3=O)cc21 223508016 IBLMJWWSHUOUDJ-UHFFFAOYSA-N 367.449 3.155 10 40 FGCB CN(C)c1ccc(CNC(=O)Cc2csc(-c3ccccn3)n2)cc1 8704199 MDBMRMCDEVIROK-UHFFFAOYSA-N 352.463 3.130 10 40 FGCB COc1cccc(CC(=O)NCc2ccc(N3CCSCC3)cc2)c1 48375278 DEDJVRJATJZGSB-UHFFFAOYSA-N 356.491 3.107 10 40 FGCB Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1-c1ccc2c(c1)OCO2 5399252 OUUIAPKRGATFON-UHFFFAOYSA-N 355.390 3.349 10 40 FGCB CN(C)CCCOc1ccccc1CN(C)c1ccc2c(c1)OCCO2 12148165 ADNFOEFQQSPLAN-UHFFFAOYSA-N 356.466 3.425 10 40 FGCB Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/c3ncccc3O)cc2)n1 17949551 SKYMKWHKGCGRJP-QZQOTICOSA-N 370.394 3.102 10 40 FGCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(O)cc1 408531362 NUOSFTVBOQXGOT-SFQUDFHCSA-N 373.368 3.124 10 40 FGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 13810590 ZRLTUVAHXOYKHS-BOPFTXTBSA-N 371.433 3.192 10 40 FGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 408771794 ICNRLEVOEILJHV-LDADJPATSA-N 364.401 3.369 10 40 FGCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C/NC(=O)NCCc1ccccc1 5981761 GUZXMFAWWDVJJY-XMHGGMMESA-N 362.433 3.143 10 40 FGCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1 12466888 GJBWPMBFDLDCDX-PDGQHHTCSA-N 372.453 3.259 10 40 FGCB CCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1F 252498538 REGVKDJSOVDMNH-UHFFFAOYSA-N 368.217 3.164 10 40 FGCB CC(C)(C)OC(=O)N1CCN(CCCC2C(=O)c3ccccc3C2=O)CC1 100994027 XHDHXFZAPFDWHO-UHFFFAOYSA-N 372.465 3.015 10 40 FGCB O=C(NCCc1ccc(O)c(O)c1)Nc1ccc([N+](=O)[O-])cc1Cl 72286262 TUIYKDVPXQZZGI-UHFFFAOYSA-N 351.746 3.024 10 40 FGCB CCOc1cccc([C@@H]2NC(=O)c3c(sc4c3CCN(CC)C4)N2)c1O 6891469 ALTPWJXUMZAQDE-QGZVFWFLSA-N 373.478 3.085 10 40 FGCB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C 408960145 CKPVUYUYCOPWJL-GZTJUZNOSA-N 351.406 3.100 10 40 FGCB C/C=C/c1ccc(OCC(=O)NCc2ccc(N(C)C)cc2)c(OC)c1 15134792 IDQVPEJABXOQJP-AATRIKPKSA-N 354.450 3.490 10 40 FGCB CC(C)(C)NC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5370823 BQYWSQMCTHWPHC-KSMSJBKCSA-N 360.504 3.359 10 40 FGCB Cn1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc21 13161671 PNDXYWBNSITKTD-UHFFFAOYSA-N 354.387 3.383 10 40 FGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 4356703 VCILSOIMBYJYTF-ZROIWOOFSA-N 357.412 3.496 10 40 FGCB Cc1ccccc1-n1c(C)cc(C(=O)Cn2nnc3ccccc3c2=O)c1C 46882230 CLFQWLBTQMYHDO-UHFFFAOYSA-N 372.428 3.390 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(C)c4ccccc34)C2=O)cc1 830926 NDSICHXFZRJWLE-GZTJUZNOSA-N 359.385 3.153 10 40 FGCB biogenic O=C(NC1CCCCC1)NN1C(=O)/C(=C/c2cccs2)SC1=S 3192502 DEWDCWLNGYTEDM-XFXZXTDPSA-N 367.521 3.496 10 40 FGCB CC[C@H](C)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 109425803 OOVJGJKGUBXBCM-MFVBVHDHSA-N 367.405 3.368 10 40 FGCB C#CCn1c(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 107837535 DOOWWFDFQLJGQG-RGEXLXHISA-N 355.397 3.044 10 40 FGCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccncc2)SC1=S 5814112 YURKUQBFLHYZLE-JWAFFJSPSA-N 356.428 3.109 10 40 FGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 6654846 VQIBCQXXCUGMQY-PTNGSMBKSA-N 356.378 3.210 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(Cl)c3)C2=O)cc1 104690278 SSDBTQDLSVAXNJ-GDNBJRDFSA-N 355.781 3.227 10 40 FGCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)c(O)c3)S2)c(OC)c1 35644371 OTHJEZSYFBDEGY-LZYBPNLTSA-N 372.402 3.197 10 40 FGCB O=C(O)CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 966827 LNSRBGSDKMPINU-YFHOEESVSA-N 372.265 3.125 10 40 FGCB CCn1c(C)cc(/C=C2/C(=O)N=C(O)N(c3ccc(OC)cc3)C2=O)c1C 17207695 KAEJZDCMKCOSRP-BOPFTXTBSA-N 367.405 3.004 10 40 FGCB COc1cc2c(cc1NCC(=O)NC(=O)NCC(C)C)oc1ccccc12 11619323 GFKNVFKTUWGZDF-UHFFFAOYSA-N 369.421 3.488 10 40 FGCB C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)o1 8117497 WBCGSUQVUUULPM-ANYQKZHNSA-N 351.449 3.469 10 40 FGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1F 33708835 BJCMHWOKALDLTF-AQTBWJFISA-N 365.408 3.277 10 40 FGCB COc1ccc(/C=C2/C(=O)N(C(=O)Cc3ccccc3)N=C2C)cc1OC 17218466 AWHMCSBDKXWJBK-GZTJUZNOSA-N 364.401 3.075 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cn[nH]c3-c3ccccc3)CC2)cc1 71011217 SYQBWLAGFBQNFO-UHFFFAOYSA-N 362.433 3.048 10 40 FGCB COc1ccccc1N1C(=O)N=C(O)/C(=C/c2nc3ccccc3[nH]2)C1=O 6786961 VULXYQRTZKWVNU-KHPPLWFESA-N 362.345 3.078 10 40 FGCB C[C@H](NC[C@@H]1Cc2ccccc2O1)c1ccc(N2CCC(O)CC2)cc1 95419687 XDLWEETWFXUXTL-KKSFZXQISA-N 352.478 3.302 10 40 FGCB CN1CCCc2cc(CNC(=O)c3c(Cl)nc4ccccn34)ccc21 60456153 PPGQHCAYAMASPV-UHFFFAOYSA-N 354.841 3.300 10 40 FGCB C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCC(=O)O)C1=O 12377921 OPJMPDNYXRIESN-ADVUTCEVSA-N 361.444 3.070 10 40 FGCB COc1ccc(C2=C/C(=C/c3cccc(OC)c3O)C(=O)O2)c(OC)c1 408723497 VUAJPTYKKPUXCR-LCYFTJDESA-N 354.358 3.399 10 40 FGCB CCc1nnc(S/C(=C\c2ccc(N(CC)CC)cc2O)C(=O)O)[nH]1 7342411 YJONDTUTZJXGIV-ZROIWOOFSA-N 362.455 3.137 10 40 FGCB COc1ccc(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2SCCC3)cc1 2965928 HHWOBWYXWVKGTK-FQEVSTJZSA-N 355.483 3.174 10 40 FGCB O=c1oc2c(CNCc3ccncc3)c(O)c(Cl)cc2c2c1CCC2 20590067 CKLNLYWEAOKSGT-UHFFFAOYSA-N 356.809 3.326 10 40 FGCB CCOC(=O)c1cnc2c(/N=N/c3cccc(Cl)c3)c(N)nn2c1N 101703196 KSNMBISZDFJVRR-QZQOTICOSA-N 359.777 3.139 10 40 FGCB CCOc1ccc(/N=N/c2c(=O)[nH]n3c(=O)c4c([nH]c23)CCCC4)cc1 103674823 TUVGGOUTPMPAFJ-QZQOTICOSA-N 353.382 3.009 10 40 FGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc(C)n1 112114832 SXIDPTPQXFHRNU-ATVHPVEESA-N 351.366 3.407 10 40 FGCB COc1cc(CN[C@H](C)c2ccc(N3CCN(C)CC3)cc2)cc(OC)c1 58330147 MUIQLADZWPDQOL-QGZVFWFLSA-N 369.509 3.306 10 40 FGCB COc1cccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c1OC 409140985 GGFCJHAHXWILNO-PTNGSMBKSA-N 368.414 3.104 10 40 FGCB O=C1c2ccccc2N[C@H](c2cc(O)c(O)c(Cl)c2)N1C[C@@H]1CCCO1 8720421 UYBIEFJWCNLVDH-SGTLLEGYSA-N 374.824 3.497 10 40 FGCB CCOC(=O)N1CCN(Cc2cc3c(cc2O)[nH]c2ccccc23)CC1 23818002 IUIDNOOEOJECAI-UHFFFAOYSA-N 353.422 3.301 10 40 FGCB CC(C)(C)C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 6563268 QRYFZAIRYPTUCM-UHFFFAOYSA-N 350.370 3.234 10 40 FGCB CN(C)c1ccc(CNC(=O)c2cccnc2N2CCCCC2)cc1F 69914006 VAUKTZTXDBPRSL-UHFFFAOYSA-N 356.445 3.207 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)on3)CC2)cc1 8721212 VZMLAVVBQLVNHD-UHFFFAOYSA-N 363.417 3.313 10 40 FGCB Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cn1 62580669 HFSMFKZGTNUMMU-FQEVSTJZSA-N 353.466 3.277 10 40 FGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccccc2Cl)C1=O 408528364 FVHMSUHMOFJZGR-ZRDIBKRKSA-N 355.781 3.227 10 40 FGCB Oc1ccccc1CNC1(Cc2cc(-c3ccc(F)cc3)on2)COC1 67897892 MDDCDQXZZDOGDU-UHFFFAOYSA-N 354.381 3.288 10 40 FGCB biogenic,in-vitro CCOc1ccccc1N1CCN(Cc2cc(C)cc(OC)c2O)CC1 89272013 JFJKHXXAUYYVLX-UHFFFAOYSA-N 356.466 3.430 10 40 FGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 5371236 WYXOHLNKVHUPIV-VWLVURMCSA-N 351.449 3.237 10 40 FGCB CCCCCC(=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O 4984483 XIJDBHLQUYAZJI-UHFFFAOYSA-N 370.357 3.047 10 40 FGCB biogenic,in-vitro Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(C(=O)O)cc1 408995495 AOPASUTXEABQIZ-ZSOIEALJSA-N 358.444 3.281 10 40 FGCB N=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N=C2SC=NN12 2830691 QTSPPPLERLPEOE-DICXTUCDSA-N 367.346 3.104 10 40 FGCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2ncnc2N1 703568 NAQHQGAMALNPIZ-IBGZPJMESA-N 374.448 3.272 10 40 FGCB COc1ccc2ccc(O)c(CN3CCN(C(=O)C(C)(C)C)CC3)c2c1 75582640 DYMLEMUJSONXJD-UHFFFAOYSA-N 356.466 3.244 10 40 FGCB COc1ccc(N2CCCN(CCOc3ccccc3OC)CC2)cc1 52467116 ZDEXUVARCLIYTC-UHFFFAOYSA-N 356.466 3.295 10 40 FGCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(OC)c1O 13943236 CKKUVKPVQFMYFQ-VBKFSLOCSA-N 371.433 3.406 10 40 FGCB C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)o1 8117495 WBCGSUQVUUULPM-LXLDMJRISA-N 351.449 3.469 10 40 FGCB CC(C)(C)OC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)OCc1ccccc1 82048828 PDVYBWWBCFHHFE-SFHVURJKSA-N 370.449 3.448 10 40 FGCB COc1ccc(N2CCO[C@@H]2c2cn(Cc3ccc(C)cc3)nn2)cc1 216766371 MUTZYSLKVPHHOK-HXUWFJFHSA-N 350.422 3.179 10 40 FGCB CCOc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 6350832 XNEGZVHIOZRQJA-XNTDXEJSSA-N 372.808 3.209 10 40 FGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1 13766316 HASKGQOXFQNTOL-UVTDQMKNSA-N 371.190 3.116 10 40 FGCB COc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)ccc1O 13775011 CQAOIUKPSORVEY-DHZHZOJOSA-N 356.309 3.047 10 40 FGCB COC(=O)N(C)c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 83854290 ABVMPRCYZNTVOP-UHFFFAOYSA-N 356.426 3.277 10 40 FGCB O=C1NC(=S)S/C1=C\c1cc(Cl)cc(Br)c1O 13476307 PCXDHHTZCKUWJH-UQCOIBPSSA-N 350.646 3.297 10 40 FGCB CCc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 19933316 FEWBKLYICDPKSP-QGZVFWFLSA-N 368.477 3.374 10 40 FGCB CCCCc1cc(=O)oc2c(CN[C@H](CC(C)C)C(=O)O)c(O)ccc12 2216501 QEKIVQJVRWDTOQ-MRXNPFEDSA-N 361.438 3.430 10 40 FGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCNC(=O)c1ccco1 12534723 HAHIEDXRPYBLRL-UHFFFAOYSA-N 369.465 3.048 10 40 FGCB C[C@@H](NC[C@@H]1Cc2ccccc2O1)c1ccc(N2CCC(O)CC2)cc1 95419688 XDLWEETWFXUXTL-IERDGZPVSA-N 352.478 3.302 10 40 FGCB CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 12817549 NAFCLNFQZINLLC-FXAWDEMLSA-N 351.450 3.498 10 40 FGCB CCN(CC)CCNC(=O)c1ccc(NCc2cccc(OC)c2O)cc1 44836334 ZXZQRFLMYBCITH-UHFFFAOYSA-N 371.481 3.085 10 40 FGCB COc1ccc(OC)c(-c2cc3ccc(O)c(CN(C)C)c3oc2=O)c1 4084738 NBSPNTGOODOKJP-UHFFFAOYSA-N 355.390 3.244 10 40 FGCB biogenic C[C@@H]1Cc2cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)ccc2O1 16810398 SLRHMOTXUQRWIT-GDGIMOGDSA-N 361.488 3.390 10 40 FGCB CCc1ccc(CCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 217031473 LWWJHJJBYSRSMH-UHFFFAOYSA-N 365.521 3.250 10 40 FGCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(F)cc3)S2)C1 41206374 RVFXZKMWJIIILX-OJNRTJSBSA-N 362.426 3.071 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(C)n(C)c4ccccc34)C2=O)cc1 5587883 POKLEAOMKLPXQX-LDADJPATSA-N 373.412 3.462 10 40 FGCB CCN(CC)c1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)c(OC)c1 7365683 GBPFGLCJBLHQPT-DHDCSXOGSA-N 363.439 3.451 10 40 FGCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)cc1 1192724 KNKZYXQKHRQLIK-XYOKQWHBSA-N 357.347 3.471 10 40 FGCB Cc1cccc(CSCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 54285363 WKBILDIWAQOAKX-UHFFFAOYSA-N 370.518 3.381 10 40 FGCB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1ccc(N(C)C)cc1 10433380 GJGSWQVCGWVBAN-LJQANCHMSA-N 359.514 3.090 10 40 FGCB CN(C)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 9368552 YHNHIRYHWMHOQK-INIZCTEOSA-N 361.486 3.016 10 40 FGCB CSC(=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)N(C)C 255187393 DFJPFUCLJZWABF-UHFFFAOYSA-N 353.447 3.118 10 40 FGCB COc1ccc(N(CCC(N)=O)Cc2coc(-c3cccs3)n2)cc1 12555672 DVIBKRGTUYBETR-UHFFFAOYSA-N 357.435 3.294 10 40 FGCB Cc1cc(C(=O)COc2cccc(-n3cnnn3)c2)c(C)n1-c1ccccc1 3421771 IBHVZDCFCHDSKA-UHFFFAOYSA-N 373.416 3.332 10 40 FGCB CCc1nc2ccccc2c(=O)n1N=[N+](CC)Nc1ccc(OC)cc1 408720469 QINXYYKNULHYDC-UHFFFAOYSA-N 352.418 3.242 10 40 FGCB CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1 1273444 UGOGTTZVILYDIX-UHFFFAOYSA-N 355.419 3.351 10 40 FGCB Cc1cccc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C 12610074 FPRPXBWTTDASSZ-UHFFFAOYSA-N 368.477 3.177 10 40 FGCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 5149717 MSKYNGWPKUVWHF-QENILXLESA-N 360.460 3.243 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)cc1C 408898447 LJYAVFUVTANUOS-OQLLNIDSSA-N 370.792 3.329 10 40 FGCB Cc1cc(C)c(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1C 225651871 PPJXBROLOYXGPV-UHFFFAOYSA-N 351.494 3.294 10 40 FGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 1835917 NGBCUZOLYWHZEJ-SBMLRHLQSA-N 359.519 3.156 10 40 FGCB CC(C)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 8709935 FUXRIXHPGAURCG-MRXNPFEDSA-N 359.495 3.346 10 40 FGCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375047 NJVQXPNCQGFUDC-ZVZFUOFVSA-N 363.460 3.200 10 40 FGCB O=C1NC(=O)C(=CNc2ccccc2Sc2ccc(Cl)cc2)C(=O)N1 7737306 FXNKILFJBJRRPJ-UHFFFAOYSA-N 373.821 3.153 10 40 FGCB Cc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)o1 4356932 BUXTWARIGGNSKA-MFYHJKBNSA-N 373.455 3.485 10 40 FGCB O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1 409081621 QMWIIMZDXXLPQF-BNDQCTAISA-N 355.868 3.426 10 40 FGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(C)C 409407530 MLTVRDQEAYXZFB-ATVHPVEESA-N 366.417 3.334 10 40 FGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(OC)ccc1OC 408893866 NWPUIVZBALNFLG-BOPFTXTBSA-N 373.449 3.423 10 40 FGCB CCN1C(=O)C(=C/C=C2\N(C)c3ccccc3C2(C)C)C(=O)N(CC)C1=O 667850 PEEXOSYDHKJLAU-LGMDPLHJSA-N 367.449 3.055 10 40 FGCB CN1C(=O)/C(=C2/SC(=S)N(c3cccc(O)c3)C2=O)c2ccccc21 13603247 DPEUPKXMCYSNGL-CCEZHUSRSA-N 368.439 3.145 10 40 FGCB CCCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408936936 LKCSSLOTZPSDIL-NTCAYCPXSA-N 368.364 3.281 10 40 FGCB Cc1cccc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)n1 4331310 ZJCLCASPFVFSJC-GXDHUFHOSA-N 369.471 3.473 10 40 FGCB CC[C@H](C)N1C(=O)/C(=C\Nc2cccc(C(F)(F)F)c2)C(=O)N=C1S 103128553 WZJUDUYVANMNHB-RILYUOAZSA-N 371.384 3.454 10 40 FGCB Cc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(N)n3)c2C)cc1C 5932033 JSMVWFHNLNLUDA-UHFFFAOYSA-N 355.467 3.386 10 40 FGCB CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409250712 XYNWGEMDQLDKNI-NTCAYCPXSA-N 366.442 3.225 10 40 FGCB COc1ccccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 47322078 BSSHGBDVVYKMEB-UHFFFAOYSA-N 369.465 3.226 10 40 FGCB CCCN1C(=O)/C(=C\c2ccc(OC(C)=O)c(OC)c2)SC1=S 409350112 XJRHMIBVPNTNEL-NTEUORMPSA-N 351.449 3.232 10 40 FGCB S=C(NCCCN1CCc2ccccc21)Nc1ccc2c(c1)OCO2 225559461 YJVAGFASTDJJOW-UHFFFAOYSA-N 355.463 3.155 10 40 FGCB CCOc1ccc([C@@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1 4176388 COUWGFIAMAUTJC-NRFANRHFSA-N 369.510 3.252 10 40 FGCB CCOc1ccccc1N1C[C@@](O)(c2cccs2)[N+]2=C1SCCC2 26441545 HCQJCYQIZUIUBR-GOSISDBHSA-N 361.512 3.318 10 40 FGCB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(N(C)C)cc2)n2nc(C)nc2N1 14163361 IQZYCKXELWEWPF-GOSISDBHSA-N 369.469 3.285 10 40 FGCB Cc1ccc2nc(C)c(C(=O)NCc3cc([N+](=O)[O-])ccc3O)cc2c1 32854924 IXBLMEXDHJNUPR-UHFFFAOYSA-N 351.362 3.395 10 40 FGCB Nc1nn(C(=O)c2ccccc2)c(N)c1/N=N/c1ccc([N+](=O)[O-])cc1 68602487 KSJDVOPPJQOKPZ-FMQUCBEESA-N 351.326 3.060 10 40 FGCB CCN1c2cc(C)c(C=C3C(=O)NC(=S)NC3=O)cc2[C@H](C)CC1(C)C 113790395 QETJZRJBECSJBK-GFCCVEGCSA-N 371.506 3.021 10 40 FGCB COc1ccccc1N[C@@H]1SC(=O)N(Cc2cccc(C(=O)O)c2)C1=O 4450709 CVIBETWEMRNULU-OAHLLOKOSA-N 372.402 3.027 10 40 FGCB Cc1ccc(/C=C2/C(=N)N3N=C(N4CCC(C)CC4)SC3=NC2=O)cc1 41084655 GNBUEHBGUOLLTJ-GQECEEOXSA-N 367.478 3.304 10 40 FGCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 5552969 WJUORSBEVBIIAD-GDNBJRDFSA-N 368.439 3.045 10 40 FGCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCC)cc2)SC1=S 1809340 RLEXJUXPCKZOMU-UVTDQMKNSA-N 365.476 3.240 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cc4nc(C)ccc4o3)CC2)cc1 8798490 LDQZZSGLOUFJNV-UHFFFAOYSA-N 351.406 3.107 10 40 FGCB O=C(O)c1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 59135082 FLETWBTWPVSQOI-NTEUORMPSA-N 354.293 3.031 10 40 FGCB CCCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@H](C)C2 2486564 GMEAIVBDKJFZFW-JTQLQIEISA-N 353.440 3.243 10 40 FGCB O=C(Nc1nncs1)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 4950037 RFAZPBBQQSWJDR-UHFFFAOYSA-N 369.789 3.219 10 40 FGCB CCN(CC)c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1 408844002 ARTNAVKHRHDSOQ-DTQAZKPQSA-N 367.405 3.134 10 40 FGCB O=C1NC(=S)S/C1=C\c1ccc(OCc2ccccc2)c(C(=O)O)c1 408532375 UQFNEJSUYLHFAJ-DHDCSXOGSA-N 371.439 3.453 10 40 FGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1829363 PCXNIDMYQSYNFU-LCFDYFRESA-N 371.480 3.233 10 40 FGCB Cc1cccc(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2SCCC3)c1 2966121 XSBLWZXPWBYVAH-IBGZPJMESA-N 370.454 3.074 10 40 FGCB CCCCCCN/C=C1\C(=O)NC(=S)N(c2ccc(C)c(C)c2)C1=O 6187047 OGOVEPVNAPUPLF-FOWTUZBSSA-N 359.495 3.105 10 40 FGCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408796108 DREFDPJDAJLZEN-GHRIWEEISA-N 364.401 3.450 10 40 FGCB C[C@H]1CN(C(C)(C)CNCc2cc(Br)ccc2O)C[C@H](C)O1 58407517 QNMSDMGIBHSTRA-STQMWFEESA-N 371.319 3.132 10 40 FGCB CCOc1ccc(N2C(=O)/C(=C/c3sccc3C)C(=O)NC2=S)cc1 408993771 FPDRBOFXUPWLFM-GXDHUFHOSA-N 372.471 3.287 10 40 FGCB CCn1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 409239393 NDIGDXVSOBTZID-JLHYYAGUSA-N 357.797 3.136 10 40 FGCB COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1 260572597 HQRTUYYWLKIOLQ-INIZCTEOSA-N 374.506 3.410 10 40 FGCB COCn1c(C)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1C 6527755 JFWJZWSFAPBKIU-LZYBPNLTSA-N 359.813 3.460 10 40 FGCB N=C1/C(=C/c2coc3ccc(Cl)cc3c2=O)C(=O)N=C2SC=CN12 5397056 NEAMKIMCXDYGOJ-DAUNGZKTSA-N 357.778 3.223 10 40 FGCB O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1N1CCOCC1 7779648 LNIJUPLWGDWYKY-FOWTUZBSSA-N 372.471 3.395 10 40 FGCB CC[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1OC 33668695 AJJYGGPRIHJJLV-ZSRMJVKVSA-N 366.417 3.334 10 40 FGCB Cc1cccnc1-n1c(C)cc(CN(CCO)Cc2cccnc2)c1C 12118046 UPYCDDHYWGADSE-UHFFFAOYSA-N 350.466 3.187 10 40 FGCB O=C(N[C@H]1COc2ccccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 60587791 SCPKTMZASCLZDG-WMZOPIPTSA-N 368.433 3.217 10 40 FGCB COc1cc([C@@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)cc(O)c1O 9114349 FELDBBMUMBFCNO-INIZCTEOSA-N 371.418 3.187 10 40 FGCB COC(=O)CCCCCN1C(=O)/C(=C\c2ccncc2)SC1=S 4834593 YPSBXHGMVCKHNO-ACCUITESSA-N 350.465 3.016 10 40 FGCB Cc1ccc(Nc2nn[nH]c2C(=O)NCc2ccc(N(C)C)cc2)cc1C 67283987 ZNFQDVJGPMLRND-UHFFFAOYSA-N 364.453 3.161 10 40 FGCB COc1cccc(-c2cc3ccc(O)c(CN4CCOCC4)c3oc2=O)c1 13724141 XUPPTJIDULLHJY-UHFFFAOYSA-N 367.401 3.006 10 40 FGCB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1N1CCCC1 14009452 KBJSLBDPGKOJJD-UYRXBGFRSA-N 361.470 3.366 10 40 FGCB COc1ccc2sc(NC(=O)[C@]34CC[C@](C)(C(=O)C3=O)C4(C)C)nc2c1 27026867 MDNZQYDXZYWXJJ-MOPGFXCFSA-N 372.446 3.208 10 40 FGCB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 4976929 WQFOKEUAYINDNF-UHFFFAOYSA-N 363.178 3.408 10 40 FGCB CN(C)/N=N/c1ccc(/N=N\c2ccc(N(CCO)CCO)cc2)cc1 100530753 FLTUKZXDNDUEPV-YDRPFESOSA-N 356.430 3.453 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 1201670 JOOBAUSKYKIOMX-LDADJPATSA-N 364.401 3.485 10 40 FGCB O=C(NCc1ccc(N2CCCC2)cc1)c1cncc(Br)c1 32914714 SJFNIOQGSLDWIK-UHFFFAOYSA-N 360.255 3.374 10 40 FGCB Cc1cccc(-n2[nH]c3c4c(ccc3c2=O)C(=O)c2ccccc2C4=O)c1 100484835 YXGILANZIAAYJB-UHFFFAOYSA-N 354.365 3.403 10 40 FGCB O=C1NC(=S)S/C1=C\c1ccc(OC(F)F)cc1OC(F)F 7814900 GGBSRGDQBQTKFU-BAQGIRSFSA-N 353.318 3.378 10 40 FGCB COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cccc2nsnc12 19080084 MHLQYAAJUZQGHC-UHFFFAOYSA-N 369.855 3.463 10 40 FGCB CN1C(=O)C(=CNc2ccc(/N=N\c3ccccc3)cc2)C(=O)N(C)C1=O 408526305 BONAEGGJRKEWRY-DQRAZIAOSA-N 363.377 3.448 10 40 FGCB CCOc1cc(/C=C2/SC(S)=NC2=O)c(Br)cc1O 12357595 IUSHGDCYTFUOCP-ONNFQVAWSA-N 360.254 3.454 10 40 FGCB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(-n2cncn2)c(F)c1 96947684 OYABBYVDCXSILV-CXUHLZMHSA-N 371.441 3.299 10 40 FGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 4812421 SMKFWZJEBTZTAF-MHWRWJLKSA-N 363.369 3.293 10 40 FGCB COc1ccc([C@@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCS3)c(F)c1 2966137 HKTBELAJXILBPV-FQEVSTJZSA-N 373.473 3.313 10 40 FGCB O=C1/C(=C/NNc2ccccc2)C(O)=NC(=S)N1CCC1=CCCCC1 5081699 NLIZMFPQZIQLFL-DTQAZKPQSA-N 370.478 3.461 10 40 FGCB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(Cl)cc1 16662482 IWIGNKGGVOTHJA-OQLLNIDSSA-N 373.771 3.054 10 40 FGCB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 113959200 GUJBHUPVOCGJIO-NRFANRHFSA-N 368.477 3.305 10 40 FGCB CC(C)NC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 8709934 FUXRIXHPGAURCG-INIZCTEOSA-N 359.495 3.346 10 40 FGCB CN1CCN([C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)CC1 21673424 ZYJAQXOCWRKZDU-IBGZPJMESA-N 368.868 3.326 10 40 FGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408886965 KMYOCMTYXXBLCN-ATVHPVEESA-N 374.421 3.377 10 40 FGCB Cc1ccc2c(c1)NC(=O)N(Cc1ccc(N(C)C)c(C)c1)S2(=O)=O 1307382366 NLMHOWVWYNYPMI-UHFFFAOYSA-N 359.451 3.106 10 40 FGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccccc1 17917773 FWXXKFXGXGBMQV-HKWRFOASSA-N 363.417 3.016 10 40 FGCB CCCCc1cc(=O)oc2c(CN[C@H](C(=O)O)[C@@H](C)CC)c(O)ccc12 2137301 DGCSYLIWTOPBBP-SGTLLEGYSA-N 361.438 3.430 10 40 FGCB biogenic Cc1cc(-c2cn3ccccc3n2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 12547423 OCSHHRQTGSPSHT-UHFFFAOYSA-N 366.446 3.056 10 40 FGCB CCOC(=O)c1ccc(-n2c(C)cc([C@H]3NC[C@H](C(=O)O)S3)c2C)cc1 408980399 WHHIQDUYCYGVDC-SJORKVTESA-N 374.462 3.059 10 40 FGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1O 5373402 PIELGBPLRFXIGM-AUWJEWJLSA-N 373.411 3.202 10 40 FGCB CC(=O)N(c1ccccc1)c1nc(/C=C2\SC(=S)NC2=O)cs1 9575320 RDHIWMJTSONFQG-GHXNOFRVSA-N 361.473 3.317 10 40 FGCB C[C@@H](CCCC(C)(C)O)NC(=O)C1CCN(Cc2ccccc2O)CC1 199402521 FNVLHXZATLSGCG-INIZCTEOSA-N 362.514 3.050 10 40 FGCB COc1ccc(N2CCC[C@@]3(CN(Cc4csc(C)n4)CCO3)C2)cc1 96074759 WCIYIUCVBYZNHA-HXUWFJFHSA-N 373.522 3.332 10 40 FGCB CCc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2CC)C1=O 408535246 YCPXJQVJWCJSLX-DTQAZKPQSA-N 363.417 3.390 10 40 FGCB COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)O2)cc1OC 1512956 XOKMWWNVMANSBS-LFIBNONCSA-N 352.390 3.114 10 40 FGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(OC)c1 408893947 OTXDIEAGJIGKGT-WJDWOHSUSA-N 365.385 3.278 10 40 FGCB CN1CCCc2cc([C@@H](CNC(=O)c3ccco3)N3CCCC3)ccc21 13008238 OVBFDMAJXNRKBI-LJQANCHMSA-N 353.466 3.229 10 40 FGCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 408820113 UAFYDTWQXKXTBB-DHDCSXOGSA-N 356.403 3.458 10 40 FGCB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccn1 222728584 VHXNFZPWHRQXOH-MOPGFXCFSA-N 363.490 3.486 10 40 FGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1 16312157 XAZSXSFMEUZDFK-YVLHZVERSA-N 365.389 3.426 10 40 FGCB C[C@H](O)CNCc1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12 20625122 FOTFVGJPQOPDMQ-NSHDSACASA-N 359.809 3.289 10 40 FGCB COCCN1C(=O)/C(=C/c2ccccc2Br)SC1=S 9189380 DRDJMICWKZEEEQ-FLIBITNWSA-N 358.282 3.297 10 40 FGCB COc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc(Cl)c1OC 17146046 RXQRRHRTYJKOPT-ZSOIEALJSA-N 372.808 3.127 10 40 FGCB O=C(C[C@@H]1SC(=S)NC1=O)Nc1cc(C(F)(F)F)ccc1Cl 34926817 DOKWHASLIRBNKP-QMMMGPOBSA-N 368.789 3.204 10 40 FGCB CC1=CC(C)(C)N2C(=O)/C(=C3\SC(=S)NC3=O)c3cc(C)cc1c32 12406204 HRVLWOIRZNOVTR-OWBHPGMISA-N 356.472 3.396 10 40 FGCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1C 3524503 BQWOKIUKYGZFKP-UHFFFAOYSA-N 355.467 3.209 10 40 FGCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3cccs3)C2=O)nc1C 4289878 RPVBZXBVXLUAGI-XYOKQWHBSA-N 361.448 3.496 10 40 FGCB CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(CC(=O)O)C1=O 409350668 YSIGFMZNGFNFAO-AAIQCTMTSA-N 351.449 3.150 10 40 FGCB COc1cccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)c1O 9805819 QQLGNVDQJKUIOG-UHFFFAOYSA-N 353.378 3.142 10 40 FGCB CN1CCN(c2ccc(CNC(=S)Nc3ccccc3F)cc2)CC1 225776102 XIEYKHPGCLBZTR-UHFFFAOYSA-N 358.486 3.064 10 40 FGCB CC(=O)c1ccc(N=N[C@H](C(N)=O)[C@H]2NC(C)(C)Cc3ccccc32)cc1 604940874 WQFHCZGUBRVAAW-OALUTQOASA-N 364.449 3.492 10 40 FGCB COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2C)cc1 7423606 CJXUTCGJXAWUDO-UHFFFAOYSA-N 358.423 3.123 10 40 FGCB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1ccc(Oc2ccccc2)cc1 100524807 WEAPLSBFXIYITQ-CVTQAYBASA-N 353.407 3.393 10 40 FGCB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1cccc(O)c1 6050333 GGLRNDMVOKRWQK-PTNGSMBKSA-N 353.349 3.409 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C/[C@H]1C(=O)N(c2ccccc2)N=C1C 100104724 QPAPQRFSPBUJAU-UIMCMNAESA-N 358.401 3.374 10 40 FGCB O=C(CN1C(=O)S/C(=C/c2ccc(O)c(O)c2)C1=O)c1ccccc1 409224061 IRUPSPHFUSQAON-CXUHLZMHSA-N 355.371 3.017 10 40 FGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)o1 408818858 QVEXMXIPDMFSSS-FOWTUZBSSA-N 367.405 3.101 10 40 FGCB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc(O)cc1 1280968 CLJICJIYMHPIAI-ZROIWOOFSA-N 374.418 3.078 10 40 FGCB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CCC3CCCCC3)cc2)C1 48367910 OLWWGVJICCJKIZ-LJQANCHMSA-N 371.525 3.365 10 40 FGCB O=C(c1ccccc1)c1ccccc1NC1=NS(=O)(=O)c2ccccc21 6719113 XPOCWWUDZPLPLN-UHFFFAOYSA-N 362.410 3.479 10 40 FGCB Cc1noc(N)c1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 16326902 PUQQJCCQHJUBPK-UHFFFAOYSA-N 371.368 3.152 10 40 FGCB O=C(NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1cccs1 409345112 KHNOODYISBNDKU-XYOKQWHBSA-N 364.448 3.433 10 40 FGCB COc1ccc(/C=C2\SC(=S)NC2=O)cc1OC(=O)c1ccccc1 408888577 XKCLOPWNOXQVJX-GDNBJRDFSA-N 371.439 3.403 10 40 FGCB CCN(CC)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1237695 VMEHBMSXINPMHK-KAMYIIQDSA-N 366.483 3.285 10 40 FGCB Cc1oc2c(c1C(=O)NCCc1ccccc1)C(=O)c1ccccc1C2=O 1236046 RTHRUIDFAQPMIZ-UHFFFAOYSA-N 359.381 3.336 10 40 FGCB CCCCNC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 5555137 IXCJIRVUQBHYIO-ZRDIBKRKSA-N 354.522 3.256 10 40 FGCB Cc1cc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)no1 4745913 MJWDCTBROSLPQY-XYOKQWHBSA-N 359.432 3.066 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 408799750 IFJOTTQFURYQPA-OQLLNIDSSA-N 370.792 3.323 10 40 FGCB CN(C)c1ccc(CNC(=O)CCc2nc(-c3ccsc3)no2)cc1 7243645 HWUXXNQUPAKIOP-UHFFFAOYSA-N 356.451 3.113 10 40 FGCB CCN(CC)c1ccc(CNC(=O)CN2Cc3ccccc3C2)cc1F 89969106 ZCUHVGFXKNOBCU-UHFFFAOYSA-N 355.457 3.304 10 40 FGCB CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2ccc(N(C)C)cc2)NC(=S)N1 101072398 HKTLETRTGJBYFO-XZOAIXRZSA-N 373.522 3.277 10 40 FGCB CC(=O)O[C@@H](C)c1csc2c1C(=O)c1cc([C@@H](C)O)sc1C2=O 390823347 ZSOAKSVUSXHJPU-RQJHMYQMSA-N 350.417 3.262 10 40 FGCB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCCC3)C2=O)cc1 1182754 PKWGBVFDEFYOLW-NTCAYCPXSA-N 360.504 3.209 10 40 FGCB CCOC(=O)[C@@H]1Nc2ccc3c(c2[C@@H]2C=CC[C@H]12)C(=O)c1ccccc1C3=O 408825653 DNATUASIGLUOKA-MTJIALIYSA-N 373.408 3.479 10 40 FGCB COc1ccc(N2CCO[C@@H]2c2cn(Cc3ccccc3F)nn2)cc1 216766808 DPFQCTQRHHIRSL-LJQANCHMSA-N 354.385 3.010 10 40 FGCB Cc1c(CNC(=O)N2CCC(c3ccncn3)CC2)n(C)c2ccccc12 582049273 CRNOKVBHZDILIO-UHFFFAOYSA-N 363.465 3.366 10 40 FGCB COc1cccc([C@@H]2CC(c3ccsc3)=NN2C(=O)CCC(=O)O)c1O 1554503210 OYESZCUWGDDXAF-AWEZNQCLSA-N 374.418 3.005 10 40 FGCB CCOC(=O)c1c(NC(=O)CC2(C(=O)O)CCCC2)sc2c1CCC2 13255673 YDVONANURUFSHU-UHFFFAOYSA-N 365.451 3.387 10 40 FGCB COc1ccc(N(CCC(N)=O)Cc2cc(F)cc3cccnc23)cc1 25931081 GTOMFLXVUSUPLK-UHFFFAOYSA-N 353.397 3.265 10 40 FGCB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1C 20049665 APPHFLKBGHMTGA-GOSISDBHSA-N 368.477 3.224 10 40 FGCB Cc1cc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)no1 3460546 FRRYFSIQBQHPLW-UHFFFAOYSA-N 353.378 3.186 10 40 FGCB CCN1C(=O)/C(=C/c2cn(CC(=O)OC)c3ccccc23)SC1=S 409134757 POFBBUFYYXMASW-ZSOIEALJSA-N 360.460 3.035 10 40 FGCB COc1cc(/C=C2/SC(Nc3ccccc3OC)=NC2=O)ccc1O 33930946 VFLCEEKFNGVMNQ-MHWRWJLKSA-N 356.403 3.492 10 40 FGCB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1cccnc1Cl 36635239 BDGIOZDUTLDEGL-LBPRGKRZSA-N 361.810 3.332 10 40 FGCB Cc1cc(C(=O)N2CCS(=O)(=O)CC2)c(C)n1-c1ccc(C(C)C)cc1 68363862 VLGTVRKKRCTWFS-UHFFFAOYSA-N 374.506 3.088 10 40 FGCB COc1ccc(N2CCN([C@H](C(=O)O)c3c[nH]c4ccccc34)CC2)cc1 20728238 AEHWMGSUJFUIKR-FQEVSTJZSA-N 365.433 3.124 10 40 FGCB CC1=CC(C)(C)N(C)c2cc(C)c(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc21 113813655 FTNJPUAUIRBNPW-UHFFFAOYSA-N 367.449 3.061 10 40 FGCB COc1ccc(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 38753494 AYZPDZBWEFMZGK-UHFFFAOYSA-N 372.490 3.145 10 40 FGCB Cc1noc(CCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)n1 19719233 OKOKOUBIONDJBX-HNNXBMFYSA-N 356.470 3.424 10 40 FGCB CCN(CC)CCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 1815489 URJZNQNSMSQOSX-QINSGFPZSA-N 350.509 3.325 10 40 FGCB O=C1/C(=C/c2cnn(-c3ccccc3)n2)SC(=S)N1Cc1ccco1 7786891 YYLFKUXWFNMYGO-DHDCSXOGSA-N 368.443 3.262 10 40 FGCB COC(=O)Cc1c(C)c2ccc(O)c(CNc3ccc(F)cc3)c2oc1=O 8739191 JGPGCDBSTJIUJK-UHFFFAOYSA-N 371.364 3.274 10 40 FGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)cc1Cl 409237035 VAZIUCAOELUDPR-RIYZIHGNSA-N 372.833 3.185 10 40 FGCB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccccc1O 1476465 KOGGRVHCLJKCJM-ZROIWOOFSA-N 374.418 3.078 10 40 FGCB O=C(C[C@H]1SC(=S)N(Cc2ccccc2)C1=O)Nc1ccccc1 9189399 JDGCRPHBJKYHIG-OAHLLOKOSA-N 356.472 3.444 10 40 FGCB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)O)C1=O 409141995 KREJYAOZIGSLHR-XNTDXEJSSA-N 360.435 3.106 10 40 FGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1 5372506 PEJQGVNBJGOVSY-YBEGLDIGSA-N 353.403 3.433 10 40 FGCB [N-]=[N+]=NC[C@H]1OC[C@H](O)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 6006536 IXUXOCVYBHXBOU-NMLBUPMWSA-N 369.421 3.227 10 40 FGCB Cc1cc(I)cc2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@@H]21 101566546 QTTDZDKFEMOZEY-GIPNMCIBSA-N 355.175 3.138 10 40 FGCB COc1cc(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 408884329 TVCAJENFDUVWOF-JYRVWZFOSA-N 374.755 3.154 10 40 FGCB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccccc1O 6059601 SUQQCNZYXGCABD-NTEUORMPSA-N 374.418 3.078 10 40 FGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc(C(C)=O)c1 14099545 WXGUXEPEKMVTKY-UHFFFAOYSA-N 360.479 3.166 10 40 FGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Cl)s1 5768674 CBTFHPQKIMQSHK-XFFZJAGNSA-N 350.758 3.207 10 40 FGCB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccccc1 970076 MMJVDMANAXGKMD-UVTDQMKNSA-N 358.419 3.372 10 40 FGCB Cc1cc(C(=O)CNC(=O)NCC(F)(F)F)c(C)n1-c1cccc(F)c1 12536673 ZTMRUKBGSWXKFY-UHFFFAOYSA-N 371.334 3.277 10 40 FGCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 7496916 ZGBRBGUWWSJHMB-UHFFFAOYSA-N 371.393 3.001 10 40 FGCB COc1ccccc1-c1nnc2n1N[C@H](c1ccc(N(C)C)cc1)S2 3843173 UXRILIZWBQUGOH-KRWDZBQOSA-N 353.451 3.368 10 40 FGCB biogenic Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=S)N=C2O)o1 1057885 ZDORYLVHYMGKLO-UHFFFAOYSA-N 371.374 3.226 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/N[C@H](C)c3ccccc3)C2=O)cc1C 6131735 KVTDSPBIYMMROZ-PWDRBQJJSA-N 363.417 3.121 10 40 FGCB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C\Nc1ccc(F)cc1 5100554 VVXNXZKRPGFJGL-VBKFSLOCSA-N 373.453 3.255 10 40 FGCB COC(=O)NCC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 53791731 ZUEWGRKZKFRNRB-FQEVSTJZSA-N 364.401 3.107 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/N[C@@H](C)c3ccccc3)C2=O)cc1C 6131734 KVTDSPBIYMMROZ-BRYHAGSVSA-N 363.417 3.121 10 40 FGCB COc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 6181958 KWUQMSMIWCVNNZ-PFONDFGASA-N 368.439 3.423 10 40 FGCB Cc1c(CC(=O)NCc2ccccc2Cl)c(=O)oc2c(O)c(O)ccc12 5345413 LHFSUPXBAYECCM-UHFFFAOYSA-N 373.792 3.025 10 40 FGCB NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 848892 FRZVWENMAQXFAK-VBHSOAQHSA-N 371.418 3.069 10 40 FGCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1 693135 LGUHQIXMQAYHIN-GZTJUZNOSA-N 350.374 3.182 10 40 FGCB O=C1CCCC[C@@H]2[C@H](CCN2Cc2ccc(N3CCCCC3)cc2F)N1 19713232 MDFRBFBDDCJUDG-VQTJNVASSA-N 359.489 3.449 10 40 FGCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1ccccc1Cl 101469878 OQHJWEZZFRTYKK-WGLILOHCSA-N 355.785 3.289 10 40 FGCB COc1ccc(CN/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2C)cc1 103916278 XCPVXVVQACEUGF-ZHZULCJRSA-N 365.433 3.490 10 40 FGCB C[C@H]1CCc2cc(F)ccc2N1C(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 4727489 ABARDPINZXVMIK-QDEDPJFRSA-N 357.425 3.458 10 40 FGCB COc1ccc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 57548399 ZIBPZGKIUJVUOQ-UHFFFAOYSA-N 353.466 3.073 10 40 FGCB COc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccc([N+](=O)[O-])s2)C1=O 1821304 XIRKSALHAUKBGO-CSKARUKUSA-N 373.346 3.172 10 40 FGCB C#CCOc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 107609706 SFNFPUNRDYSHKW-HKWRFOASSA-N 368.392 3.313 10 40 FGCB CC1(C)[C@@H]2CC[C@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C2=O 100931732 UFGLTFJWIVUUGH-BDJLRTHQSA-N 355.312 3.098 10 40 FGCB Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)NC2=S)c1 408774282 BXAKTXGEXPHDAU-MDWZMJQESA-N 372.833 3.185 10 40 FGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCCC2)o1 35362295 OBBKZPVAGZOJON-VKAVYKQESA-N 351.406 3.121 10 40 FGCB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(OC)ccc1OC 408892266 HUHUXLUUBVQWLB-YBEGLDIGSA-N 359.422 3.032 10 40 FGCB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc2c(c1)OCO2)C3 2112939 KVNZGBZEHYXYFY-UHFFFAOYSA-N 351.358 3.441 10 40 FGCB biogenic COc1ccc(N2C(=O)N=C(O)/C(=C/c3nc4ccccc4[nH]3)C2=O)cc1 6786724 ZXDQRVIFTMJPTM-RAXLEYEMSA-N 362.345 3.078 10 40 FGCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1cccc([N+](=O)[O-])c1 35043514 QLZMWGGIDSEEMS-NTEUORMPSA-N 369.358 3.375 10 40 FGCB CCOc1ccc(-n2cccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 34720499 LKZBGOXQVZPERP-HKWRFOASSA-N 373.412 3.337 10 40 FGCB Cc1nc(C)c(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)o2)s1 40051690 WAMAQDMKRIXTCN-UHFFFAOYSA-N 363.420 3.196 10 40 FGCB O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)NC1CC1 8748252 RCDMKBNHNBIHFT-INIZCTEOSA-N 357.479 3.100 10 40 FGCB O=C1CN(c2ccc(CN3CCCCC[C@H]3c3ccncc3)cc2)CCN1 95982229 KOYZJGJXPMATNK-NRFANRHFSA-N 364.493 3.135 10 40 FGCB O=C(O)c1ccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1O 32707942 WPDJWPKOLWLIQD-VGOFMYFVSA-N 373.411 3.202 10 40 FGCB O=Cc1ccc(/C=C2\SC(=S)N(NC(=O)C3CCCCC3)C2=O)cc1 5552967 YTTKPAMBAFEVQD-GDNBJRDFSA-N 374.487 3.312 10 40 FGCB CCC(=O)Oc1cccc2c1C(=O)c1cccc(OC(=O)CC)c1C2=O 5417085 PYLFIVJFPYEMOE-UHFFFAOYSA-N 352.342 3.093 10 40 FGCB CN(Cc1ccccc1O)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 53915105 FBYOBSLBCNXSGS-UHFFFAOYSA-N 361.825 3.408 10 40 FGCB CC(C)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408866467 HNNHXTQLCLUWPT-KAMYIIQDSA-N 368.364 3.279 10 40 FGCB CN1CCc2cc([C@H](CNC(=O)NC(C)(C)C)N3CCCCC3)ccc21 35597223 FXBRZMFMSUAXIZ-IBGZPJMESA-N 358.530 3.304 10 40 FGCB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2)cc1 193778818 VCPFNWWHOGJDRY-UHFFFAOYSA-N 359.857 3.441 10 40 FGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375014 LIIIRNSDVMUKBV-CKXDQPNJSA-N 363.460 3.344 10 40 FGCB Cc1ccccc1N1C[C@@](O)(c2cccc([N+](=O)[O-])c2)[N+]2=C1SCCC2 2966083 SWGPRULRWZVVBP-LJQANCHMSA-N 370.454 3.074 10 40 FGCB COc1ccccc1NC(=O)C[C@H]1SC(=O)N(c2ccc(F)cc2)C1=O 12136922 VWHPDUWPKQSYOC-OAHLLOKOSA-N 374.393 3.432 10 40 FGCB COC(=O)C1=CN(c2ccc(C)c(C)c2)c2cc(F)ccc2S1(=O)=O 64979179 RWDFIOMYXVVZEI-UHFFFAOYSA-N 361.394 3.382 10 40 FGCB CC(C)(C)OC(=O)N1CCN(CC2CCN(c3ccc(N)cc3)CC2)CC1 2362803745 GCMBCRKGEMAEEJ-UHFFFAOYSA-N 374.529 3.038 10 40 FGCB COc1ccc(N2CCC(Nc3ccc(Cn4cncn4)cc3)CC2)cc1 257313079 UQZDNQWLOFQEAQ-UHFFFAOYSA-N 363.465 3.416 10 40 FGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/N[C@H](C)c3ccccc3)C2=O)c1 5734540 IJUILNXQTVEIIV-PWDRBQJJSA-N 363.417 3.121 10 40 FGCB Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1-c1ccc(F)cc1 7654884 OPWDJBJUGBKWDY-UHFFFAOYSA-N 371.441 3.163 10 40 FGCB COc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O 409125682 DSWPHKRHILURQJ-RVDMUPIBSA-N 366.442 3.143 10 40 FGCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)nc1 35085154 ZSPPMJLPPRZMRC-UNOMPAQXSA-N 372.428 3.259 10 40 FGCB CCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 225837067 KPOPVRPEQRJJFQ-UHFFFAOYSA-N 354.450 3.160 10 40 FGCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](C)c2ncnn2C)c1 1116741440 XCFGUJBUXVHPCT-ZDUSSCGKSA-N 357.845 3.367 10 40 FGCB CCCCNC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5370820 NOQVUJCSPKUKIA-XGQUATGFSA-N 360.504 3.360 10 40 FGCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)ccc1O 4356716 METCIJBMPXLIQG-AUWJEWJLSA-N 373.411 3.202 10 40 FGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 4745934 VODYDPBUAABDHZ-KPCVXNCWSA-N 369.489 3.243 10 40 FGCB CN(Cc1ccc(N2CCCCC2)cc1)Cn1ncc2ccccc2c1=O 40024786 ZSNNAGUOESPBCO-UHFFFAOYSA-N 362.477 3.476 10 40 FGCB COc1ccc([C@@]2(O)[C@@H](C)N(c3ccccc3)C3=[N+]2CCCS3)c(F)c1 2921928 JKEFHHHDDIZNMW-VLIAUNLRSA-N 373.473 3.394 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3C)CC2)cc1 7382392 GNHWSZROJWHYEA-GOSISDBHSA-N 368.477 3.428 10 40 FGCB CCOc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(N)n3)c2C)cc1 6910668 UOFOZLYUSZYTCT-UHFFFAOYSA-N 371.466 3.168 10 40 FGCB COc1ccc(N(C)CCNC(=S)Nc2ccc(F)c(F)c2)cc1 225798514 JOOHVGWCIPWBIP-UHFFFAOYSA-N 351.422 3.396 10 40 FGCB Cc1ccc2cccc(OC(=O)[C@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)c2n1 101423922 XBZNJZUHBRAWLG-SFTDATJTSA-N 351.402 3.413 10 40 FGCB CN1C(=O)N=C(O)/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 9043305 QOGBKZSONVVVKU-XFFZJAGNSA-N 374.736 3.230 10 40 FGCB COc1ccc([C@@H](c2ccc3cccnc3c2O)N2CCOCC2)cc1 20265770 SBZQPOWZGHEGPU-FQEVSTJZSA-N 350.418 3.371 10 40 FGCB O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(Cl)c(F)c2)C(=O)N1 5771150 CDZBAWXTXWHICL-UHFFFAOYSA-N 360.728 3.021 10 40 FGCB COc1ccc(-c2coc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1 20358912 GEHIPOAVHKIQSD-UHFFFAOYSA-N 367.401 3.006 10 40 FGCB biogenic CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1236427 KTYGAQCRLRUJII-LVOZBFFPSA-N 360.460 3.478 10 40 FGCB COC(=O)C1=CN(c2cccc(C)c2C)c2cc(F)ccc2S1(=O)=O 64979176 FYAMWLXLLCFTGQ-UHFFFAOYSA-N 361.394 3.382 10 40 FGCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccccc1Br 408816515 UALZKUDXRUGUQC-JYRVWZFOSA-N 360.211 3.037 10 40 FGCB Cc1cc(C(=O)N[C@H](C)C(=O)N(C)C)c(C)n1-c1ccc(C(C)C)cc1 48324273 OGEPTDDGCVHQSL-OAHLLOKOSA-N 355.482 3.424 10 40 FGCB Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3O)C2=O)cc1 1216248 KIFGAJJRGLOPKT-XNTDXEJSSA-N 370.455 3.247 10 40 FGCB COc1ccccc1C(=O)NN1C(=O)/C(=C\c2ccccc2)SC1=S 5005494 WPBUDVRGJVIZCW-RVDMUPIBSA-N 370.455 3.241 10 40 FGCB Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 660033 NGQCFMJKNFZDFY-UHFFFAOYSA-N 367.474 3.132 10 40 FGCB N=C1/C(=C\c2cccs2)C(=O)N=C2SC(c3ccc(O)cc3)=NN12 18038259 YQFRCPWCBSYOQK-NLFVLIHZSA-N 354.416 3.121 10 40 FGCB COc1cc(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 408883017 PZDQPJKUWGRYEK-DHDCSXOGSA-N 372.833 3.180 10 40 FGCB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)cc1C 96234388 OCGHQROTYRTFMV-LICLKQGHSA-N 367.474 3.090 10 40 FGCB CC(C)(C)NC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S 1218215 CLDJBSIBRBRYTO-LUAWRHEFSA-N 354.522 3.254 10 40 FGCB O=S(=O)(O)c1ccc(O)c(/N=N/c2c(O)nc3ccccc3c2O)c1 6424123 XZXNMELNXSTYBI-ISLYRVAYSA-N 361.335 3.014 10 40 FGCB Oc1cc2c(cc1CN1CCN(Cc3ccc(Cl)s3)CC1)OCO2 22782826 KRGAHIYHBYRDAN-UHFFFAOYSA-N 366.870 3.154 10 40 FGCB COCCCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S 4136982 KVMSACXBZMXERV-UVTDQMKNSA-N 359.476 3.314 10 40 FGCB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC)c2O)N3)C1 4556323 LWUZERAPMGQMGU-INIZCTEOSA-N 359.451 3.269 10 40 FGCB C[C@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)o1 8117496 WBCGSUQVUUULPM-WZHYOUIESA-N 351.449 3.469 10 40 FGCB CN1CCN([C@H](c2ccc(Cl)cc2)c2cc3c(cc2O)OCO3)CC1 20735773 FUQZAMYSHUCXCK-LJQANCHMSA-N 360.841 3.111 10 40 FGCB CCN(Cc1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cn1 84774829 DEHVOTBOKYKWTL-UHFFFAOYSA-N 352.188 3.484 10 40 FGCB COc1ccc(/C=C2/SC(=S)N(CNc3cccnc3)C2=O)cc1 5335272 ZMGKYHXVSGAULU-OQLLNIDSSA-N 357.460 3.361 10 40 FGCB OCC1CCN(c2ccc(CNc3nccc(C(F)(F)F)n3)cc2)CC1 52446681 PYWLEYWSPNTIOB-UHFFFAOYSA-N 366.387 3.316 10 40 FGCB COc1ccc(C2(C[n+]3ccccc3)C(=O)c3ccccc3C2=O)cc1OC 6457923 NKPQCZPMBUFMLX-UHFFFAOYSA-N 374.416 3.009 10 40 FGCB COc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)cc1 1300974 XVLRPVRCGVMPQH-LLBKUYECSA-N 351.449 3.006 10 40 FGCB Cc1ccccc1N1C[C@@](O)(c2ccc([N+](=O)[O-])cc2)[N+]2=C1SCCC2 22405516 FZTNXJLJNFJTLW-LJQANCHMSA-N 370.454 3.074 10 40 FGCB Cc1ccc(C)n1-c1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)cc1 8341193 MNAQAURYXZXHIB-OAQYLSRUSA-N 373.456 3.147 10 40 FGCB COc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)C(O)=NC2=S)c(OC)c1 868439 ASAOFYDUIVILKP-MDWZMJQESA-N 372.402 3.277 10 40 FGCB Cc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 5678868 LWTZTVSTHLFADX-LICLKQGHSA-N 352.365 3.417 10 40 FGCB CCN1C(=O)/C(=C/c2ccc(NC(=O)C(F)(F)F)cc2)SC1=S 2684886 JTHOBWWJEBINPW-YFHOEESVSA-N 360.382 3.409 10 40 FGCB COc1ccc([C@@]2(O)[C@H](C)N(c3ccccc3)C3=[N+]2CCCS3)c(F)c1 2921927 JKEFHHHDDIZNMW-XOBRGWDASA-N 373.473 3.394 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100548271 OCGSJYWQLGXTJR-UVTDQMKNSA-N 367.321 3.222 10 40 FGCB CCN(CC)CCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3=O)cc1 3223616 SVQMWPPGADXBNF-UHFFFAOYSA-N 367.493 3.376 10 40 FGCB CCCCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCC2 5951519 HNAKAMQENXPDMN-UHFFFAOYSA-N 353.440 3.387 10 40 FGCB CC(C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408872522 FRYFJPRQVDRBEO-ATVHPVEESA-N 366.442 3.305 10 40 FGCB CCN(CC)c1ccc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)cc1 409192393 CESOAXXSVWSDAR-CPNJWEJPSA-N 366.465 3.463 10 40 FGCB COc1ccc(OC)c(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)c1 408737679 UTBBOFVUMZNPLW-GZTJUZNOSA-N 367.361 3.418 10 40 FGCB Fc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1F 225420768 JAOATUHSKTVVET-UHFFFAOYSA-N 363.433 3.288 10 40 FGCB CC1=CC2=NC(=O)/C(=C\c3cccn3CCOc3ccccc3)C(=N)N2O1 32005380 POCDEUQJVPBYOU-FZECDQFNSA-N 362.389 3.017 10 40 FGCB CC(C)COCCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 55531152 RZBZGSUXXHRPLZ-IYBDPMFKSA-N 366.477 3.118 10 40 FGCB COc1ccc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)cc1 48044483 KYLOLQLBZKHKBW-UHFFFAOYSA-N 374.506 3.131 10 40 FGCB CCOC(=O)COc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1 4747352 LOMFHIFXNBSUSO-UHFFFAOYSA-N 354.358 3.411 10 40 FGCB biogenic COc1ccc2cc(/C=C3/SC(=S)N(CC(=O)O)C3=O)ccc2c1 96663507 CAPHKGWOFMJODY-VGOFMYFVSA-N 359.428 3.134 10 40 FGCB O=C(NC1(NC2CCCCC2)C(=O)c2ccccc2C1=O)c1ccccc1 226297982 QVQZSYNBMLTPRR-UHFFFAOYSA-N 362.429 3.114 10 40 FGCB COC(=O)c1ccc(C)c(NC(=S)NCCN(C)c2ccccc2)c1 225570976 JJSKFBRINUQJCU-UHFFFAOYSA-N 357.479 3.204 10 40 FGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Cl)cc3)C2=O)cc1 5247656 JEVQATLVQFDDMI-WJDWOHSUSA-N 370.792 3.405 10 40 FGCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S 5371234 BKVBUWDYAXIFQC-YFBAIUBQSA-N 351.449 3.093 10 40 FGCB CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc2c1CCC2 2486387 NUUBFQMTRMAPEL-GHMZBOCLSA-N 363.435 3.019 10 40 FGCB COc1ccc(N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1 8579213 LFTVZXRUGJNGFT-UHFFFAOYSA-N 359.433 3.446 10 40 FGCB O=C1CN(c2ccc(CN3CCCCC[C@@H]3c3ccncc3)cc2)CCN1 95982228 KOYZJGJXPMATNK-OAQYLSRUSA-N 364.493 3.135 10 40 FGCB COc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 225693791 DIMZBZUXCOFJGB-UHFFFAOYSA-N 368.477 3.089 10 40 FGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1csc(-c2ccco2)n1 54284410 NEHYBZUERHVLOB-UHFFFAOYSA-N 369.446 3.170 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\[C@@H]1C(C)=NN(c2ccccc2)[C@@H]1O 16607902 RJJJWYYBXXBYMY-FMTSCHLSSA-N 360.417 3.166 10 40 FGCB CC(=O)Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 107931630 CXMDNVXKDIFMAB-UYRXBGFRSA-N 372.380 3.227 10 40 FGCB Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc(OCC(N)=O)cc1 54709717 SROYAFZLAPFIES-UHFFFAOYSA-N 369.446 3.272 10 40 FGCB CN(C)c1ccc(CNCCCSc2nnnn2-c2ccccc2)cc1 16186492 BDATZGLNVCBHGA-UHFFFAOYSA-N 368.510 3.000 10 40 FGCB O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccoc1 409090581 RJKBOPBKKPDTNH-RMKNXTFCSA-N 351.145 3.253 10 40 FGCB O=C1NC(=O)C(=Cc2c(OCc3ccccc3)ccc3ccccc23)C(=O)N1 408799875 IWSKYNWUPYBFEF-UHFFFAOYSA-N 372.380 3.168 10 40 FGCB COc1cccc(CN2[C@H]3CC[C@@H]2Cc2c3cnc3cc(C)nn23)c1O 72336927 GJZWSDGMISAFKT-ZBFHGGJFSA-N 350.422 3.014 10 40 FGCB CC(=O)c1ccc(N2CCN(Cc3c(O)ccc4ccncc34)CC2)cc1 12557825 OYVDYICNGUZYTE-UHFFFAOYSA-N 361.445 3.465 10 40 FGCB COc1ccc(-c2c3c(nc4nc(N)nc(N)c24)-c2ccccc2C3=O)cc1 10339132 PYDJFTASCHIUJZ-UHFFFAOYSA-N 369.384 3.076 10 40 FGCB CCN(CC)CCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5235955 HERFTAYBZIKCBX-KAMYIIQDSA-N 360.508 3.106 10 40 FGCB O=C1NC(=O)C(=Cc2cccc(OCc3cccc4ccccc34)c2)C(=O)N1 1216207 KLVIXZLFTZUBHX-UHFFFAOYSA-N 372.380 3.168 10 40 FGCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccncc2)SC1=S 1271115 YURKUQBFLHYZLE-QLKUMGTLSA-N 356.428 3.109 10 40 FGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1 59489940 OMJVBIKZOWGECE-UHFFFAOYSA-N 351.742 3.392 10 40 FGCB CCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S 4263404 BNQYHPIKGRRSGN-KAMYIIQDSA-N 365.476 3.240 10 40 FGCB CCOc1cccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 54179653 TXTSNJREUSLNER-LJQANCHMSA-N 367.493 3.077 10 40 FGCB COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)c(OC)c1OC 22347733 LFCILYROOKGJBZ-KAMYIIQDSA-N 362.451 3.169 10 40 FGCB COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 13879150 WNQDLOGIJYCHQZ-WQRHYEAKSA-N 350.418 3.363 10 40 FGCB Cc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccccc1 409128673 TUGOECKMSOYIEQ-DHDCSXOGSA-N 356.403 3.215 10 40 FGCB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1OCC 4999119 IYAVUNWLIIFGBI-UHFFFAOYSA-N 365.407 3.014 10 40 FGCB CCCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 8707141 GYGBQIFPIYLRGM-INIZCTEOSA-N 359.495 3.347 10 40 FGCB CCCOc1ccc(/C=C2\C(=O)N(C)C(C)=C2C(=O)OC)cc1OCC 59435429 NWCFTXIMVJZQGF-PTNGSMBKSA-N 359.422 3.177 10 40 FGCB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccccc1 5553117 XLGGMULFDYNXEC-QXAPVUDZSA-N 356.428 3.382 10 40 FGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(O)cc2)S1 109597690 UOSHAZXGNIJERC-OVCLIPMQSA-N 354.387 3.481 10 40 FGCB Nc1cccc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c1 6277082 JWESIOVEMXACPW-SFQUDFHCSA-N 372.384 3.001 10 40 FGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408776915 SAFZQJLNXHJXDA-LDADJPATSA-N 364.401 3.369 10 40 FGCB O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(N2CCCC2=O)c1 224275908 OLIKXFIFZHVCTP-UHFFFAOYSA-N 363.461 3.344 10 40 FGCB CN1CCN(c2ccc(CNC(=S)Nc3cccc(F)c3)cc2)CC1 225776355 RTKBDIUSPLXPCK-UHFFFAOYSA-N 358.486 3.064 10 40 FGCB O=C1c2ccccc2C(=O)c2c(Nc3ccc(CCO)cc3)ccc(O)c21 5124960 HEIUNTCQZMXSDO-UHFFFAOYSA-N 359.381 3.446 10 40 FGCB CC[C@H](C)OC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 4482888 LMHWJLVSQXAVIS-XNFYSYIQSA-N 353.440 3.369 10 40 FGCB O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2ccccc2F)SC1=S 5551863 WDYBRRZAHMWKKT-PTNGSMBKSA-N 372.446 3.301 10 40 FGCB CCOc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1OC 1140168 CTSDIUSBFIYCKR-DHDCSXOGSA-N 372.808 3.209 10 40 FGCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1 1220343 QBGACHRKGQIBGJ-ZSOIEALJSA-N 360.211 3.037 10 40 FGCB Cc1ccc(-c2ccc(/C=C3/SC(N4CCN(C)CC4)=NC3=O)o2)cc1 20443556 ZHLPRTZCIDGNBD-QGOAFFKASA-N 367.474 3.473 10 40 FGCB COc1cccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c1O 32116534 PDEWAKXZNLQMSO-LCYFTJDESA-N 372.377 3.212 10 40 FGCB CCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 12635894 DNGXCKVUTJPWSN-PEHNMLCRSA-N 351.449 3.150 10 40 FGCB Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c(C)c1 409001215 VMUFITFGGBGAOB-UHFFFAOYSA-N 365.433 3.145 10 40 FGCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccc(C(=O)O)c1 408994808 JKCONQREJJZXII-ZSOIEALJSA-N 358.444 3.281 10 40 FGCB CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 408877450 VYSYLEJGGHPJQY-MHWRWJLKSA-N 370.792 3.405 10 40 FGCB COc1cc2c(cc1[C@H](c1cc3c(cc1O)OCO3)N1CCCC1)OCO2 36646394 QATRSYQIZNVQMT-FQEVSTJZSA-N 371.389 3.043 10 40 FGCB O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2cccnc2O)cc1 16951612 KIJSBNNAQVSOOK-FMQUCBEESA-N 355.379 3.398 10 40 FGCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\Nc1cccc(F)c1 101066714 HQKARJVZDDHEOF-VBKFSLOCSA-N 357.385 3.090 10 40 FGCB C[C@@H]1CCCN(C(=O)C2CCN(Cc3cc4c(cc3O)CCC4)CC2)C1 54471482 XAPSDPCOYBOGRU-MRXNPFEDSA-N 356.510 3.351 10 40 FGCB CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=NC1=S 6938224 NYBZWQCGLPUTKQ-UKTHLTGXSA-N 371.374 3.342 10 40 FGCB COc1ccc(N2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)cc1 4901775 VKKNVUGXVOQGMR-UHFFFAOYSA-N 363.461 3.078 10 40 FGCB Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccccc1 20392284 CLSISILCABZETM-UHFFFAOYSA-N 351.402 3.306 10 40 FGCB biogenic CCN(CC)c1ccc(CNn2c(S)nnc2-c2ccncc2)cc1 7365425 GELOAVVLTISPRO-UHFFFAOYSA-N 354.483 3.219 10 40 FGCB CCc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccc(OC)cc32)cc1 67172822 AQHLUCXGTFLKPE-UHFFFAOYSA-N 373.430 3.197 10 40 FGCB CC[C@@H](C)Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 16610159 PJCFAZDZSSGHSB-CYBMUJFWSA-N 353.422 3.121 10 40 FGCB CCOc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5097728 IQOGZSCNHFNVMW-OAQYLSRUSA-N 369.509 3.113 10 40 FGCB CCN(CC)Cc1c(O)ccc(C(=O)COc2cccc(OC)c2)c1O 23135300 VEHUNZRKZWLLFO-UHFFFAOYSA-N 359.422 3.210 10 40 FGCB biogenic COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)cc(C)c3)CC2)cc1 7495750 NDKAROJNOBAUIT-GOSISDBHSA-N 368.477 3.428 10 40 FGCB O=C(NCc1ccc(N2CCOCC2)cc1)NC12CC3CC(CC(C3)C1)C2 54786207 UVBMAIJENOTYNN-UHFFFAOYSA-N 369.509 3.291 10 40 FGCB CCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 2250740 OBAWDHOMHDEANX-KAMYIIQDSA-N 365.476 3.240 10 40 FGCB CCN(CC)c1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 8307578 GNNOAQBUKOWCNZ-UHFFFAOYSA-N 350.466 3.401 10 40 FGCB COc1ccc([C@@]2(O)CN(c3cc(C)ccc3C)C3=[N+]2CCCS3)cc1 3912335 RKWPMRBXXBSFPZ-NRFANRHFSA-N 369.510 3.483 10 40 FGCB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(C(C)C)C1=O 2338893 AOTLHXFYRKYPTR-AUWJEWJLSA-N 353.465 3.322 10 40 FGCB Cc1cc2c(cc1C=C1C(=O)N(C)C(=O)N(C)C1=O)[C@@H](C)CC(C)(C)N2C 113777395 DNFGNIBAFUEIQO-ZDUSSCGKSA-N 369.465 3.151 10 40 FGCB C/C(NC[C@@H]1CCCO1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112116733 QALQKDOYRPETPJ-ZWVASEPXSA-N 361.445 3.480 10 40 FGCB COc1ccc(OC)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c1 409142493 KOGILZDWWXPAFN-WJDWOHSUSA-N 368.414 3.104 10 40 FGCB CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(F)cc1Br)C(=O)C2=O 12402091 YDXFANZMKWQYPP-ABKXIKBNSA-N 368.202 3.101 10 40 FGCB Cc1cc2c(cc1C=C1C(=O)NC(=O)NC1=O)[C@H](C)CC(C)(C)N2C(C)C 223598566 MIBPKEIQJJDUND-CYBMUJFWSA-N 369.465 3.245 10 40 FGCB CC1CCN(C(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)CC1 5374808 QHDBSVFFABVUFX-RVDMUPIBSA-N 360.504 3.390 10 40 FGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O 101527247 MKGWRGMTPKGTHR-OQLLNIDSSA-N 368.305 3.015 10 40 FGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccncc1 27530494 MEIFIIWRZJYAMJ-GHRIWEEISA-N 368.437 3.013 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)ccc3C)CC2)cc1 13710481 VYOVJXQMIMCYIS-GOSISDBHSA-N 368.477 3.428 10 40 FGCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccccc1Cl 5523237 QCEBCUZOCCTLMS-MKRLJBPISA-N 361.825 3.192 10 40 FGCB Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)NC1CCCCC1 19794004 NAAKGKDJRBGLQG-UHFFFAOYSA-N 372.465 3.342 10 40 FGCB C[C@@H](NC(=O)c1ccc2c(c1)COC2)c1ccc(N2CCOCC2)cc1 95392640 ODKMSWVEVMJYPQ-OAHLLOKOSA-N 352.434 3.044 10 40 FGCB CCCCCC[C@@H](C)N/C=C1/C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 2416037 PEPPBCYERXTTFF-OPCAMPFDSA-N 361.417 3.241 10 40 FGCB CCN1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccccc1O)N2 15830055 MSJZEKXPWLTOGQ-SFHVURJKSA-N 365.477 3.434 10 40 FGCB biogenic CC1=NN(c2nnn[nH]2)C(=O)/C1=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 17075668 DXXQWHGIQHEWGY-MDWZMJQESA-N 368.784 3.228 10 40 FGCB COc1cc(/C=C2/SC(NC3CCCC3)=NC2=O)cc(OC)c1OC 96121192 DECREIPZPBWHCU-XNTDXEJSSA-N 362.451 3.215 10 40 FGCB COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 6479383 WUYVQUAAYVVORN-GXDHUFHOSA-N 370.792 3.323 10 40 FGCB COc1ccc(CN2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)c(O)c1 72336926 CHURFJISIMWOFF-WMLDXEAASA-N 350.422 3.014 10 40 FGCB CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-n3cncn3)cc2)cc1 31497021 JZXPESPAOUGVCM-UHFFFAOYSA-N 363.465 3.386 10 40 FGCB COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1O 59136450 PDYFLTWHDYHZRM-DHZHZOJOSA-N 372.377 3.212 10 40 FGCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C/c2cccc(O)c2)C1=O 408938260 PRLFULNNDOJBDV-LCYFTJDESA-N 356.765 3.020 10 40 FGCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c1 408873175 OBQCINFVHIBREC-QGOAFFKASA-N 364.401 3.314 10 40 FGCB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=S)NC3=O)c2C)cc1 1206532 SBSYDSUAXFYGMG-OQLLNIDSSA-N 372.471 3.370 10 40 FGCB O=C(COc1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 5193461 FVRPWZYYKVVBIM-UHFFFAOYSA-N 357.365 3.480 10 40 FGCB CCOc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1OC 34718827 XNEGZVHIOZRQJA-GDNBJRDFSA-N 372.808 3.209 10 40 FGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 32124550 OQHJSOSZNUBMCF-ATVHPVEESA-N 374.352 3.106 10 40 FGCB O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCCC2)cc1 13672367 YNTNGRMMDFWHMY-UHFFFAOYSA-N 353.422 3.444 10 40 FGCB COc1ccc(C(=O)Nc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1 16406711 WKULWKNJWFXLCN-GDNBJRDFSA-N 370.455 3.436 10 40 FGCB CC(C)c1ccc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 54284926 AZFDSQPKLMTJHZ-UHFFFAOYSA-N 368.477 3.342 10 40 FGCB O=C(Nc1ccccc1)c1cnn2c(O)cc(Cc3ccsc3)nc12 100776105 IFDLMYMGNARONN-UHFFFAOYSA-N 350.403 3.340 10 40 FGCB COc1ccc(N2CCN(c3ccc(Br)cc3N)CC2)cc1 256050407 DWTBSXTUUORUKI-UHFFFAOYSA-N 362.271 3.367 10 40 FGCB COc1ccc(N2CCN(C(=O)COc3cccc(Cl)c3)CC2)cc1 3555420 FWMIQOJYVBVINL-UHFFFAOYSA-N 360.841 3.076 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@@]34CC[C@](C)(C(=O)C3)C4(C)C)CC2)cc1 100834734 OEMWHHCDKIGSNN-FGZHOGPDSA-N 370.493 3.129 10 40 FGCB Nc1ccccc1N/C=C1/C(=O)N=C(S)N(CCC2=CCCCC2)C1=O 103118054 IVFGLEOENBHNAA-OWBHPGMISA-N 370.478 3.110 10 40 FGCB CC[C@H](C)[C@@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 2100722 JLWPTBYEBSJQOY-APPDUMDISA-N 355.390 3.241 10 40 FGCB biogenic O=C(NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)c1ccncc1 13572068 SKVYQQGGXSNAQW-GVEAZFNLSA-N 367.455 3.184 10 40 FGCB CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c1C 409088320 LBAOEJYCCQLYPY-GZTJUZNOSA-N 367.474 3.265 10 40 FGCB CC(=O)O[C@H](C)c1csc2c1C(=O)c1cc([C@@H](C)O)sc1C2=O 390823346 ZSOAKSVUSXHJPU-RNFRBKRXSA-N 350.417 3.262 10 40 FGCB CCOC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 48234193 PTXQMBWORASRIK-UHFFFAOYSA-N 355.438 3.008 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1C 409240834 IJVVGRIQWQUXHN-RVDMUPIBSA-N 366.442 3.143 10 40 FGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 631839 SMKFWZJEBTZTAF-YBEGLDIGSA-N 363.369 3.293 10 40 FGCB CCOc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1 53535736 YLEVHGHLFHGJNN-UHFFFAOYSA-N 371.506 3.409 10 40 FGCB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/Nc1ccccc1F 5047259 JBSYCLTXLNHYLR-WYMLVPIESA-N 373.453 3.255 10 40 FGCB Oc1c([C@H](c2ccccn2)N2CCOCC2)cc(Cl)c2cccnc12 19879779 IVBVBQKSDVSGEA-GOSISDBHSA-N 355.825 3.410 10 40 FGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1C(=O)O 408798698 WPOKCWDLWARVPN-YBEGLDIGSA-N 357.406 3.104 10 40 FGCB COC(=O)c1cccc(NC(=S)NCCN(C)c2ccccc2)c1C 225571105 YUAIRTMFUMKMHB-UHFFFAOYSA-N 357.479 3.204 10 40 FGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1ccco1 4745700 VAUGLKANZKAMIC-FOWTUZBSSA-N 357.410 3.211 10 40 FGCB CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cccc(C)c3)S2)CC1 6497407 CTSQCEOPZIZFHY-VBKFSLOCSA-N 358.463 3.240 10 40 FGCB O=C(NN1C(=O)/C(=C\c2ccccc2F)SC1=S)c1cccs1 1412507 PFRHBPOQRBPEPJ-XYOKQWHBSA-N 364.448 3.433 10 40 FGCB O=C(N[C@@H]1COc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 95390036 SCPKTMZASCLZDG-SJLPKXTDSA-N 368.433 3.217 10 40 FGCB Cc1ccc(-n2nnc(C(=O)N(C)Cc3ccccc3O)c2C2CC2)cc1 95393410 GIWLECRROMHSLZ-UHFFFAOYSA-N 362.433 3.431 10 40 FGCB Cc1ccc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C)cc1 5635856 NXDONOSAQCBQLP-UHFFFAOYSA-N 365.389 3.355 10 40 FGCB Cc1ccccc1N/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 6860976 IGZCCSASSSUXHQ-UVTDQMKNSA-N 355.781 3.227 10 40 FGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3cccc(O)c3)cc2)SC1=S 5374796 ZLDLBABVRAWUKR-OQLLNIDSSA-N 370.455 3.476 10 40 FGCB COc1ccc(N2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1 3607935 WLZDIHQTOHSISI-UHFFFAOYSA-N 354.450 3.040 10 40 FGCB Cc1nc(C(=O)NCc2ccc(N(C)C)cc2)nn1-c1ccc(Cl)cc1 15832877 MWQHUPREEQVTBJ-UHFFFAOYSA-N 369.856 3.225 10 40 FGCB O=C(N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12)[C@@H]1COCCO1 48678486 BDTVMPYHLFWVTG-FPOVZHCZSA-N 363.413 3.166 10 40 FGCB CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3ccccc3)no2)cc1 15674085 USRQWQXTMBUFDS-MOPGFXCFSA-N 364.449 3.111 10 40 FGCB biogenic,in-vitro Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccccc3O)n2)cc1F 15674328 NOXOUTFGUHEZKM-WBVHZDCISA-N 369.396 3.198 10 40 FGCB biogenic,in-vitro Cc1ccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)o1 970084 VMBUFIAMBURXSS-GXDHUFHOSA-N 358.444 3.063 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(-c2ccco2)on1 48326566 ZPBSQSXIIRSODQ-UHFFFAOYSA-N 353.422 3.403 10 40 FGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 4687503 HTCZTPFENUHFEO-QGOAFFKASA-N 363.417 3.102 10 40 FGCB O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccccc1O)c1ccccc1 3641553 WRRVPECGCFOMPX-LJQANCHMSA-N 359.385 3.304 10 40 FGCB CCN1C(=O)/C(=C\c2ccc(NC(=O)C(F)(F)F)cc2)SC1=S 5524378 JTHOBWWJEBINPW-JXMROGBWSA-N 360.382 3.409 10 40 FGCB O=C1/C(=C\c2nc3ccccc3[nH]2)C(O)=NC(=S)N1c1cccc(F)c1 2281243 FOOMHTDIORKAFC-XFXZXTDPSA-N 366.377 3.374 10 40 FGCB Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 113945655 GGDUHMBTUVBSQO-SFHVURJKSA-N 368.477 3.224 10 40 FGCB O=C(CSc1nnc2sc3ccccc3n12)c1ccc(O)c(O)c1 8710425 FRGLARXFAMXHIP-UHFFFAOYSA-N 357.416 3.330 10 40 FGCB Cc1nn2c(/C=C3\SC(=S)NC3=O)c(-c3ccccc3)nc2s1 41074262 GICHIRHAVVZKSO-XFFZJAGNSA-N 358.473 3.255 10 40 FGCB Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCCO2 27900588 QAKIEWCOQPMSTG-KSSFIOAISA-N 370.449 3.163 10 40 FGCB Oc1ccc(C2=Nn3c(nnc3-c3ccccc3Cl)SC2)cc1O 3911145 RULJSWPQJWGXFS-UHFFFAOYSA-N 358.810 3.368 10 40 FGCB Cc1nn(C)c(C)c1/C=C1\SC(N2CCc3ccccc3C2)=NC1=O 36621530 UIYJHUWUZQJRAM-YVLHZVERSA-N 352.463 3.066 10 40 FGCB COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(OC)c1OC 1415670 CNILRYXLEWKUFC-RVDMUPIBSA-N 362.451 3.169 10 40 FGCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 5392716 GDOXLNIPMMKLNO-LLVKDONJSA-N 364.492 3.081 10 40 FGCB COc1ccc(CN2CCCN(c3ccc4c(c3)OCCO4)CC2)cc1 12143890 CXKPWWSJMARFSM-UHFFFAOYSA-N 354.450 3.179 10 40 FGCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(F)cc1 409142338 KVSLNHNIKXWINX-OVCLIPMQSA-N 374.393 3.354 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3)C2=O)cc1 408854279 BKQSTWHNCPHMBC-XMHGGMMESA-N 371.396 3.452 10 40 FGCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S 3238190 LSUPDRCDBNTUIM-FLIBITNWSA-N 373.402 3.354 10 40 FGCB CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5097773 TYDQLZPMNOQVEK-HXUWFJFHSA-N 355.482 3.184 10 40 FGCB COc1ccc(/C=C2\C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)cc1 59475179 ABPQACATGYGFCJ-OQLLNIDSSA-N 362.307 3.175 10 40 FGCB COc1ccc(-n2c(C)cc(C(=O)CN3C[C@H](C)O[C@H](C)C3)c2C)cc1 19902851 IVOWIOXCRUDIKD-IYBDPMFKSA-N 356.466 3.395 10 40 FGCB CC[C@@H](C)n1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c2ccccc21 4124044 NEWCPHGKZOFAKH-GFCCVEGCSA-N 355.463 3.211 10 40 FGCB CC(C)C1=NN2C(=N)/C(=C/c3coc4ccccc4c3=O)C(=O)N=C2S1 41083182 IMPVBQXMQZNDGR-AQINLTQESA-N 366.402 3.068 10 40 FGCB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccco1 631849 FRFKXWZWFYYOHY-BOPFTXTBSA-N 353.374 3.161 10 40 FGCB CN1CCCc2cc(CNC(=O)N3CCC[C@H]3c3cccn3C)ccc21 57662097 IQCNPEYNAHDCBB-FQEVSTJZSA-N 352.482 3.454 10 40 FGCB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 408903522 ZCFXYQDTDWKUFY-OQLLNIDSSA-N 367.361 3.418 10 40 FGCB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 13670410 OXENSMUZYUGXOG-QGZVFWFLSA-N 370.518 3.461 10 40 FGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 103020634 JXLVSBCVKUJJGM-QEEYODRMSA-N 363.417 3.113 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)cc3)C2=O)cc1 4703293 CMRRMSLKAPWIIZ-LDADJPATSA-N 364.401 3.449 10 40 FGCB COC(=O)C1=C(C(=O)OC)SC(=CC(=S)c2ccccc2)S1 4524624 QAOXKUTURKAIPN-UHFFFAOYSA-N 352.458 3.284 10 40 FGCB CN(C)c1ccc(CN2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)cc1 96112664 HJPGPYBXKAGSIL-FQEVSTJZSA-N 363.465 3.111 10 40 FGCB biogenic,in-vitro CCNC1=CC(C)=C(O)[C@H]2C(=O)c3c(O)c(C)cc(NCC)c3C(=O)[C@@H]12 100643763 INWFXCDEOOCMHA-ZFWWWQNUSA-N 356.422 3.083 10 40 FGCB biogenic CN1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)CC1 19842432 BSGZTQWZIBOTMJ-LCYFTJDESA-N 356.278 3.211 10 40 FGCB in-vitro CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(F)cc1Br)C(=O)C2=O 100225839 YDXFANZMKWQYPP-FVMDXXJSSA-N 368.202 3.101 10 40 FGCB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccnc1 4745575 HXXBHOQIOQGNHY-GXDHUFHOSA-N 373.459 3.295 10 40 FGCB CC[C@H](C)Oc1ccccc1C=C1C(=O)N(CC)C(=S)N(CC)C1=O 408600700 DZJCSBCBVUSMPI-ZDUSSCGKSA-N 360.479 3.243 10 40 FGCB O=C(O)Cc1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1 27530459 PMNYDYSJMOODLG-GXDHUFHOSA-N 356.428 3.115 10 40 FGCB CN(Cc1c(O)ccc2ccc(=O)oc12)C[C@@H]1CCCN2CCCC[C@H]12 524730391 HNEVCERPQUACIP-FUHWJXTLSA-N 356.466 3.195 10 40 FGCB biogenic COc1ccc(CN2CC[C@H]3COC(=O)N3c3cc(C)ccc3C2)c(O)c1 225489705 FDXSHRAUWLECHP-KRWDZBQOSA-N 368.433 3.440 10 40 FGCB biogenic,in-vitro COc1ccc(CN2CCC(c3noc(-c4ccncc4)n3)CC2)c(O)c1 12328199 WEMBKUGSBXGPOK-UHFFFAOYSA-N 366.421 3.225 10 40 FGCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C2=O 4720649 UXMAFAYQPNMMER-DLBZAZTESA-N 369.339 3.488 10 40 FGCB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/Nc3ccc(F)cc3)C2=O)c(C)c1 100497099 KQKTXESYNPOXEO-YBEGLDIGSA-N 367.380 3.330 10 40 FGCB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(C(=O)O)c(O)c1 100945116 VIFURMJJPQZNQB-YBEGLDIGSA-N 365.389 3.426 10 40 FGCB Cc1ccc(C)c(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c1 409000314 YMXGYMSFWKPIOW-UHFFFAOYSA-N 365.433 3.145 10 40 FGCB COC[C@H](C)N1C(=O)/C(=C/c2ccc(-n3ccnc3)cc2)SC1=S 96935955 ZUIXJMPNJNOYNZ-ZENNRRHLSA-N 359.476 3.108 10 40 FGCB N=C1/C(=C/c2ccc(Cl)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 4649976 WDEDMKKXINRYRO-MALKNPNJSA-N 367.821 3.402 10 40 FGCB Oc1cc2c(cc1CN1CCN(Cc3ccc(Cl)cc3)CC1)OCO2 32751626 SDAYBZKCCFUISK-UHFFFAOYSA-N 360.841 3.092 10 40 FGCB COCCn1c(C)cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1C 409244019 WLHKGMSOWDBISE-XDHOZWIPSA-N 367.449 3.153 10 40 FGCB Oc1c(CN2CCN(c3ncccn3)CC2)cc(Cl)c2ccccc12 21730030 HZSWFCRCIRMTHV-UHFFFAOYSA-N 354.841 3.311 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Cn2cncn2)cc1 100422611 HUHZMAJOLXVMIK-HKWRFOASSA-N 372.432 3.435 10 40 FGCB CN(C)c1ccc(/C=C2/SC(=S)N(CN3CCCCC3)C2=O)cc1 33907374 XVQWAEKYPVGYMZ-FOWTUZBSSA-N 361.536 3.397 10 40 FGCB CCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S 4176454 KKUAPXLDDUMHNV-RAXLEYEMSA-N 353.440 3.370 10 40 FGCB CN(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 12817560 NAFCLNFQZINLLC-PXNSSMCTSA-N 351.450 3.498 10 40 FGCB CCOc1ccc(/N=N/c2c(N)nn3c(=O)c4c([nH]c23)CCCC4)cc1 4649608 ZJGKYYGJYZCMBY-QURGRASLSA-N 352.398 3.298 10 40 FGCB Cc1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)Cc1ccc(F)cc1S2 71404354 NGEOXZLKAAJWOG-IBGZPJMESA-N 372.509 3.492 10 40 FGCB COC(=O)c1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)oc1C 96926556 ZSMUMVVGVBOPNC-NTUHNPAUSA-N 360.416 3.175 10 40 FGCB COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 408984222 IHPNPLVNISGHQW-DHDCSXOGSA-N 370.792 3.323 10 40 FGCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1 408984264 ILUVGNOZUFELIK-AQTBWJFISA-N 364.401 3.314 10 40 FGCB COc1ccc(C(=O)Oc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1 408883289 UTFASNMBLZWTHU-GDNBJRDFSA-N 371.439 3.403 10 40 FGCB COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)N1CCCC1 44085880 OPUKOXHICYSFHI-UHFFFAOYSA-N 359.495 3.219 10 40 FGCB CN1CCc2cc([C@@H](CNC(=O)c3ccco3)N3CCCCC3)ccc21 11027651 ZXEWCESVOISADS-LJQANCHMSA-N 353.466 3.229 10 40 FGCB COc1cccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c1O 59106158 YSFNLLNKSLDBOD-LCYFTJDESA-N 356.309 3.047 10 40 FGCB CCc1cccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccc(F)cc32)c1 64979182 KYGTXCHCPMOBPV-UHFFFAOYSA-N 361.394 3.328 10 40 FGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc2ccccc2c1 13898219 YPKPNKHFHNAMLB-UNOMPAQXSA-N 373.412 3.339 10 40 FGCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1C 14010986 ZONXASPQOTUSMW-ZROIWOOFSA-N 371.824 3.148 10 40 FGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COc2ccccc2)cc1 6747929 TWPPQLZMMPPCRB-OAQYLSRUSA-N 368.477 3.339 10 40 FGCB CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1C 409120408 VOFXMEYHCOJRJD-WOJGMQOQSA-N 365.433 3.408 10 40 FGCB Cc1cc(/C=C/C(=O)N[C@H](C)CN2CCCC2=O)c(C)n1-c1ccccc1 84081289 UYQWTKVFSTXBJD-LPQFERQCSA-N 365.477 3.234 10 40 FGCB COc1ccccc1/C=C1\SC(=S)N([C@@H](C(=O)O)C(C)C)C1=O 1786517 RLXXJLGITYTWFS-LLBKUYECSA-N 351.449 3.006 10 40 FGCB Cc1cccc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 6302245 FQJCNSNHYMHQSQ-GDNBJRDFSA-N 355.781 3.227 10 40 FGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1cccc2ccccc12 408547093 UOVAHZGRCSWOAT-WJDWOHSUSA-N 361.357 3.007 10 40 FGCB CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1 83261133 ACGPIMXYKJAZLP-SXGWCWSVSA-N 356.403 3.343 10 40 FGCB Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)O)cc1 100983269 IWDXZMRBISGGND-ISLYRVAYSA-N 358.379 3.136 10 40 FGCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn[nH]c1-c1ccc(Cl)cc1 9421701 DLLXIYBZVBHULM-MHWRWJLKSA-N 364.792 3.192 10 40 FGCB CN(C)c1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc1 199414026 LIWMBBDNGNUHQS-UHFFFAOYSA-N 350.422 3.494 10 40 FGCB Oc1cc2c(cc1CN1CCN(CCOc3ccccc3)CC1)CCC2 22794538 SKBXXXWIFCVGRQ-UHFFFAOYSA-N 352.478 3.078 10 40 FGCB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1CN1CCCCC1 20493858 KSNOHSLZVJTJPN-OQLLNIDSSA-N 362.476 3.060 10 40 FGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 409243100 VNKHKUBKOXRRKC-CPNJWEJPSA-N 366.465 3.463 10 40 FGCB Cc1cccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)NC2=S)c1C 409132796 KCCDVBOMBIGGNN-YKVSOSGNSA-N 352.415 3.284 10 40 FGCB CCO/C(C)=C1/C(=O)N(c2ccc(C(F)(F)F)cc2)N=C1CC(=O)OC 30822982 XKZZTXJRNOTHCW-XNTDXEJSSA-N 370.327 3.282 10 40 FGCB COc1ccc(N2CCO[C@H]2c2cn(Cc3ccccc3F)nn2)cc1 216766851 DPFQCTQRHHIRSL-IBGZPJMESA-N 354.385 3.010 10 40 FGCB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2cccs2)SC1=S 4471245 RSBPADYPQDJAIJ-JLHYYAGUSA-N 360.485 3.223 10 40 FGCB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/NCCC1=CCCCC1 101046701 LGTLKQDHOCLPDR-SAPNQHFASA-N 359.470 3.152 10 40 FGCB C[C@H](Cc1ccc(O)c(O)c1)C(=O)N1CCO[C@@H](c2ccccc2F)C1 96012382 YIUAUZMMLHXLNK-BFUOFWGJSA-N 359.397 3.016 10 40 FGCB Cn1cc([C@H]2CC(c3ccccc3O)=NN2c2ccc([N+](=O)[O-])cc2)cn1 71785128 XHRKMBRZLQODQC-GOSISDBHSA-N 363.377 3.390 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)[nH]n3)CC2)cc1 15680543 DNTUIAZXHWBFAU-UHFFFAOYSA-N 368.462 3.109 10 40 FGCB COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1O 408901645 GYKKERSLBVWANT-OQLLNIDSSA-N 353.334 3.115 10 40 FGCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(N)n3C)c2C)cc1C 32776983 JAMARFGYJFBYAR-UHFFFAOYSA-N 369.494 3.397 10 40 FGCB O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccco2)SC1=S 4478797 FAAGTJHTKMANHP-LFGHMXSPSA-N 359.428 3.177 10 40 FGCB Cc1c(CC(=O)NC2CCCCCCC2)c(=O)oc2c(O)c(O)ccc12 5345425 RKEAOCCFPFAHAB-UHFFFAOYSA-N 359.422 3.284 10 40 FGCB CCN(CC)c1ccc(CNS(=O)(=O)c2cc(F)ccc2OC)cc1 224639697 RQIHBQFXZMGYDV-UHFFFAOYSA-N 366.458 3.159 10 40 FGCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccccc1Cl 97963988 OQHJWEZZFRTYKK-IWKHNONTSA-N 355.785 3.289 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cccc(C)c3C)CC2)cc1 20110840 HMIMTCJXIVBIFC-SFHVURJKSA-N 368.477 3.428 10 40 FGCB O=c1cc(-c2ccccc2)c2ccc(O)c(CNC[C@@H]3CCCO3)c2o1 6670424 MPPLQRGHPBMMKP-HNNXBMFYSA-N 351.402 3.434 10 40 FGCB COc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3O)n2)c1 72322111 UEVGAXHMWQOQOQ-IBGZPJMESA-N 365.433 3.364 10 40 FGCB biogenic,in-vitro CCN1/C(=C2\SC(=S)N(CC(=O)O)C2=O)C=Cc2cc(C)ccc21 2066070 LRKBNWDPQXITFA-SQFISAMPSA-N 360.460 3.005 10 40 FGCB CCCCCCc1c(C)c2ccc(O)c(CN[C@@H](C)C(=O)O)c2oc1=O 2129416 WQBHXMNVRLHENQ-ZDUSSCGKSA-N 361.438 3.493 10 40 FGCB biogenic COC(=O)c1ccccc1N/C=C1/SC(=S)N(CC(C)C)C1=O 9422825 RCWHCLDQONHGMK-MDWZMJQESA-N 350.465 3.243 10 40 FGCB CCOc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccccc32)cc1 64979143 BBDAWYYNCSAYNV-UHFFFAOYSA-N 359.403 3.025 10 40 FGCB COC(=O)C1=CN(c2ccc(C)c(C)c2)c2ccc(F)cc2S1(=O)=O 64979226 QLGPOGYRNTZIEA-UHFFFAOYSA-N 361.394 3.382 10 40 FGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OC(C)C)C1=O 6479462 DJYUXBVAARUVAD-FOWTUZBSSA-N 364.401 3.449 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 101124535 WCEPWRQCKWJGSO-UVTDQMKNSA-N 367.321 3.222 10 40 FGCB CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@@H](CC)C2 4646584 AZGNILTUXNTFJL-SNVBAGLBSA-N 353.440 3.243 10 40 FGCB CCC(=O)OCC(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 4979165 HIRDSACZAJUWEG-UHFFFAOYSA-N 371.776 3.007 10 40 FGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccccc3)C2=O)c1 4703283 JMSVRUNMSPXJSZ-RGEXLXHISA-N 371.396 3.452 10 40 FGCB O=C(O)CCC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1O 80316217 VNSDZQGVSVDOTA-INIZCTEOSA-N 356.353 3.074 10 40 FGCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccccc1C(=O)O 15228778 DHWGTJRXFFWLQH-DHDCSXOGSA-N 356.403 3.458 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)Cn1nc(-c2cccnc2)n(C)c1=S 12533055 INSKBOFBXOVPEA-UHFFFAOYSA-N 368.510 3.169 10 40 FGCB Cc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCOCC2)cc1 225839718 KDJLSOBCTWYUMN-OAHLLOKOSA-N 356.495 3.274 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\[C@@H]1C(C)=NN(c2ccccc2)[C@H]1O 16607900 RJJJWYYBXXBYMY-PLKVUOPHSA-N 360.417 3.166 10 40 FGCB COC(=O)c1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 4465410 PJGUTBHCABOGON-NTEUORMPSA-N 356.428 3.274 10 40 FGCB Cc1ccc(N2C(=O)N=C(O)/C(=C\NNc3ccccc3)C2=O)cc1C 5069478 VXUOAQAHVIYFSJ-LFIBNONCSA-N 350.378 3.227 10 40 FGCB Cc1cc2c(n1-c1ccc(S(=O)(=O)N(C)C)cc1)CC(C)(C)CC2=O 8845934 UBTGKHJYSFKNES-UHFFFAOYSA-N 360.479 3.191 10 40 FGCB COc1ccc(N2CCN(CC(=O)Nc3ccccc3SC)CC2)cc1 58159049 ITMSURDFRPXGBI-UHFFFAOYSA-N 371.506 3.178 10 40 FGCB COc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc(OC)c1O 96663472 ZOHCSHYHIDMVLM-RIYZIHGNSA-N 374.443 3.210 10 40 FGCB CCN(CC)C(=O)[C@H](C)NC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C 40107480 QQTWKZYONZLNDS-CLVCIHKQSA-N 367.493 3.480 10 40 FGCB N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(C(F)(F)F)=NN12 49591268 FANWQOHNJQTNPZ-PLQYPNHHSA-N 363.324 3.349 10 40 FGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)N1CCCCCC1 4263499 OPWGRYBTQBCBPE-WYMLVPIESA-N 364.492 3.274 10 40 FGCB O=C(C[C@@H]1SC(=S)N(CCc2ccccc2)C1=O)Nc1ccccc1 9189392 RKNOUGYXSGQZDF-INIZCTEOSA-N 370.499 3.487 10 40 FGCB COc1ccc(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2SCCC3)cc1 2965931 HHWOBWYXWVKGTK-HXUWFJFHSA-N 355.483 3.174 10 40 FGCB CN(C)C(=O)C1(Nc2ccccc2)CCN(Cc2ccc(F)cc2O)CC1 2055751331 LHYSFQOLFUFUFU-UHFFFAOYSA-N 371.456 3.066 10 40 FGCB COc1ccc(N2CCOCC2)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 20528696 GTQHODZHTORARV-UHFFFAOYSA-N 371.393 3.001 10 40 FGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cccc(C)c2C)C1=O 408531456 KOBVXCKADDWOSC-FOWTUZBSSA-N 363.417 3.445 10 40 FGCB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)NC[C@@H]1CCCO1 6657480 RWGFZUKVQMMBKS-INIZCTEOSA-N 359.495 3.266 10 40 FGCB COc1ccc(N2CCN(CCCNc3nc4ccccc4o3)CC2)cc1 24973657 HKAIUZSWTAWHHO-UHFFFAOYSA-N 366.465 3.461 10 40 FGCB CCCCN1CCc2cc(/C=C3/C(=O)N(CC)C(=S)N=C3O)ccc21 2596269 BRFJXZNGBQPHFM-NTCAYCPXSA-N 357.479 3.336 10 40 FGCB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 113959715 UGYLTCQJWTZBLD-GOSISDBHSA-N 368.477 3.224 10 40 FGCB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccccc2O)NC(=S)N1 655251 NWGXOSGTWQJAQK-QGZVFWFLSA-N 353.447 3.132 10 40 FGCB COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(SC)cc1 408891929 FNZOWVRNNIDGEN-ZCQLHAAUSA-N 373.474 3.260 10 40 FGCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C/Nc1cccc(F)c1 8513147 HQKARJVZDDHEOF-FOWTUZBSSA-N 357.385 3.090 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 8707445 KUGGNGPZCRIVLC-UHFFFAOYSA-N 370.409 3.095 10 40 FGCB Cc1cccc(OCC(=O)NCc2ccc(N3CCSCC3)cc2)c1 48368387 DHCUWHJDISRFPO-UHFFFAOYSA-N 356.491 3.243 10 40 FGCB O=C1N=C(N2CCN(c3ccc(F)cc3)CC2)S/C1=C\c1ccco1 9189282 SJXRGURSNPUUMD-VBKFSLOCSA-N 357.410 3.211 10 40 FGCB CCN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 4520965 ZLWGRCJCHDRNKV-MDWZMJQESA-N 360.753 3.211 10 40 FGCB COc1cccc(NC2=NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)S2)c1 33326768 ODBFWDNWDHNEBT-OVCLIPMQSA-N 371.374 3.391 10 40 FGCB CC(=O)c1ccc(N=N[C@@H](C(N)=O)[C@H]2NC(C)(C)Cc3ccccc32)cc1 604940875 WQFHCZGUBRVAAW-RBUKOAKNSA-N 364.449 3.492 10 40 FGCB CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 408989053 JOVJLXVAGMFVMD-LGMDPLHJSA-N 364.401 3.314 10 40 FGCB CCCCN1C(=O)/C(=C/c2cc(OC)c3c(c2)OCO3)SC1=S 96018724 HPLZULKGMKJGFY-JYRVWZFOSA-N 351.449 3.425 10 40 FGCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc(F)cc1 5477871 DCNDCZBCNDKNSU-WQLSENKSSA-N 364.448 3.433 10 40 FGCB Cc1ccc2c(N)c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)sc2n1 13575265 ZPYBWYYPPBVHGM-UHFFFAOYSA-N 371.374 3.135 10 40 FGCB CC1=Nc2ccccc2[C@H]1/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 100925021 DGNJZOUDHYRKGL-KFXIKWRMSA-N 351.406 3.214 10 40 FGCB CCOc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 5097678 PUQMEEAIQNJEHR-LJQANCHMSA-N 355.482 3.184 10 40 FGCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC[C@H]1CCCO1 103918084 KIKJLVHJPARMHV-OKSBFYSISA-N 372.425 3.140 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 69772368 ILOPMJAEPZKCHM-KRWDZBQOSA-N 361.486 3.111 10 40 FGCB COc1ccc(-c2csc(NS(=O)(=O)c3ccccc3)n2)cc1N 217684266 MRQZBWGIENVRHK-UHFFFAOYSA-N 361.448 3.202 10 40 FGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 6355113 RHDKYRLIULJFHL-FOWTUZBSSA-N 350.374 3.060 10 40 FGCB CC(C)(C)NC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 4745603 ZGXBVEGDHDOVDF-ZRDIBKRKSA-N 352.481 3.176 10 40 FGCB COc1ccc2ccc(O)c(CN3CCC(C(=O)N4CCCC4)CC3)c2c1 25050002 BVOOWDQZBGYGQF-UHFFFAOYSA-N 368.477 3.388 10 40 FGCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\SC(=O)NC2=O)c1C 106693292 SNRNAACIUOPWHS-DHDCSXOGSA-N 356.403 3.205 10 40 FGCB COc1cccc(NC(=S)/C=C2\NCCc3cc4c(cc32)OCO4)c1 101366939 HEAJVVMSSCUYTN-YBEGLDIGSA-N 354.431 3.350 10 40 FGCB COc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)c(OC)c1 35040185 MIDCMMZHNOPUKD-DHDCSXOGSA-N 360.460 3.448 10 40 FGCB CCc1cc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)ccc1OC 223710596 IFHPBXVVGRUUKI-UHFFFAOYSA-N 374.506 3.336 10 40 FGCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(O)c(O)c1 96193309 QDHSBNBHFHZCGR-SDQBBNPISA-N 372.764 3.256 10 40 FGCB CC[C@H](C)N1C(=O)/C(=C\Nc2ccc(N(CC)CC)cc2)C(=O)N=C1S 103123851 CDRHGIBNBRZWCX-WIOAZZGGSA-N 374.510 3.282 10 40 FGCB CCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc(OC)cc2)CC1 57669691 OPNZWLMDQDMNTJ-GOSISDBHSA-N 372.517 3.100 10 40 FGCB O=C1N=C(O)/C(=C\NNc2ccccc2)C(=O)N1CCC1=CCCCC1 38182274 RFBAOUTWWCCJEL-DTQAZKPQSA-N 354.410 3.296 10 40 FGCB CNC(=O)c1ccc2c(c1)/C(=C/c1cn(C)c3ccc(OC)cc13)C(=O)N2 13538992 PFAPJAYUYRSASC-MFOYZWKCSA-N 361.401 3.039 10 40 FGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(F)c(F)c1 14099540 FZPKOYLGYPDJQH-UHFFFAOYSA-N 354.422 3.242 10 40 FGCB O=C1/C(=C/c2ccccc2)SC(=S)N1N1C(=O)c2ccccc2C1=O 4107940 NUCJIXCVJJVOTF-UVTDQMKNSA-N 366.423 3.099 10 40 FGCB Oc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3)SC2)cc1O 5047068 LEGOWEFMEXVAKV-UHFFFAOYSA-N 358.810 3.368 10 40 FGCB CCCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408994404 ZLXFSFMCNKZYFD-GHRIWEEISA-N 366.442 3.307 10 40 FGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(C(=O)O)c(O)c1 101141391 SVDJWXUQXPMMSX-OQLLNIDSSA-N 371.780 3.462 10 40 FGCB Cc1cc(C(=O)N2CCSCC2)c(C)n1-c1ccc2c(c1)OCCO2 49214115 WLOLRVBDYZHFOI-UHFFFAOYSA-N 358.463 3.054 10 40 FGCB COCCN1C(=O)/C(=C/c2ccc(C)s2)C(=O)N(c2ccccc2)C1=O 4545337 JPOJQPRSNQIERM-VBKFSLOCSA-N 370.430 3.082 10 40 FGCB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(N2CCOCC2)cc1 3165854 RZGNLGUXYPHYKO-QGOAFFKASA-N 352.365 3.007 10 40 FGCB CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2ccc(N(C)C)cc2)NC(=S)N1 4126596 HKTLETRTGJBYFO-BJOOFOGMSA-N 373.522 3.277 10 40 FGCB CC(C)CN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)SC1=S 409038524 VWUXIJQOYTWEQS-QPEQYQDCSA-N 351.449 3.007 10 40 FGCB Cc1ccc(O)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)/C=C\C(=O)O)c1 80316264 DBBUMYODQZYLBG-JJEJIETFSA-N 368.364 3.158 10 40 FGCB CCc1cccc2c(/C=C3/SC(=S)N(CCC(=O)O)C3=O)c[nH]c12 97990677 VCDOJLSJEPRLOC-MDWZMJQESA-N 360.460 3.406 10 40 FGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)c1C 408785426 YVSQZWBQUCYKNW-MDWZMJQESA-N 370.792 3.329 10 40 FGCB CN(C)c1ccc(CNC(=O)COc2ccc(Br)cc2)cc1 7889310 HFZCPQWOQALLDS-UHFFFAOYSA-N 363.255 3.210 10 40 FGCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 408866403 FOPPKHCPLWTTTA-LFIBNONCSA-N 370.792 3.405 10 40 FGCB COCCn1c(C)cc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c1C 409147622 NAVVTYCHTXNYHL-ATVHPVEESA-N 355.463 3.014 10 40 FGCB c1ccc(CN2CCC(NCc3ccc(N4CCOCC4)cc3)CC2)cc1 58165468 NASPEYXOEQSEKI-UHFFFAOYSA-N 365.521 3.277 10 40 FGCB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc(O)cc2O)NC(=O)N1 5943919 IUCUUIPLHOOAJM-INIZCTEOSA-N 373.796 3.018 10 40 FGCB Cn1cccc1/C=C1\SC(=S)N([C@@H](C(=O)O)c2ccccc2)C1=O 5164151 PRATVMXZUPWLSX-QLKUMGTLSA-N 358.444 3.052 10 40 FGCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 12554939 KKWORDXAURFWNQ-UHFFFAOYSA-N 369.421 3.012 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 28632295 HGJNOOBJEGXXKX-AUWJEWJLSA-N 351.318 3.130 10 40 FGCB O=C1N=C(O)/C(=C/NN2CCCCC2)C(=O)N1c1cccc2ccccc12 8836488 JEBCXHYMRBTTIJ-SSZFMOIBSA-N 364.405 3.137 10 40 FGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408814248 OOFKNMDEUFINCF-QGOAFFKASA-N 364.401 3.450 10 40 FGCB COc1ccc2nc3cc(Cl)ccc3c(NCCNC[C@H](C)O)c2c1 4428777 KXRXLSMGAGUFJA-LBPRGKRZSA-N 359.857 3.432 10 40 FGCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 6221058 HCQKRFOWSSSAFW-JLHYYAGUSA-N 351.449 3.238 10 40 FGCB CCCCNC(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S 9404563 TZLOTGZNFOJRTH-SDNWHVSQSA-N 366.483 3.333 10 40 FGCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 2909370 JEQJDDFIAFJQER-GXDHUFHOSA-N 355.781 3.227 10 40 FGCB CN(C)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 7908469 GLNDHFVFVNNJAO-UHFFFAOYSA-N 358.385 3.250 10 40 FGCB CN(C)c1ccc([C@H]2CC(c3ccsc3)=NN2C(=O)CCC(=O)O)cc1 1554503013 APMWQNYAFWAJRS-QGZVFWFLSA-N 371.462 3.357 10 40 FGCB COc1ccc([C@H](Nc2ncccn2)c2cc3c(cc2O)OCO3)cc1 6411368 IJLYHFDMMYWAIQ-SFHVURJKSA-N 351.362 3.121 10 40 FGCB in-vitro CCN(CC)c1ccc([N+](=O)[O-])cc1C=C1C(=O)OC2(CCCC2)OC1=O 59489882 ZQZQLBHEBZVONE-UHFFFAOYSA-N 374.393 3.195 10 40 FGCB CCCNC(=O)CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 54360653 PRGPQGUOXANMPH-RAXLEYEMSA-N 368.911 3.458 10 40 FGCB Cc1ccccc1/C=C1/SC(=S)N(NC(=O)Cc2ccccc2)C1=O 35038708 QMLRCLFTMPWQDO-FOWTUZBSSA-N 368.483 3.470 10 40 FGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(OC)c2)SC1=S 7262881 ZAHJHACRNMXCJV-OQZOHAQUSA-N 351.449 3.150 10 40 FGCB Cc1cc(O)ccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 19923879 SZTOKLONSBMGGY-UHFFFAOYSA-N 368.414 3.245 10 40 FGCB C[C@@H]1Cc2cc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)ccc2O1 16810408 ZLALLAXUWUMLAU-AHEVQNHNSA-N 363.460 3.076 10 40 FGCB COC[C@@H](C)N1C(=O)/C(=C/c2ccc(-n3ccnc3)cc2)SC1=S 96935956 ZUIXJMPNJNOYNZ-CDCQXCROSA-N 359.476 3.108 10 40 FGCB COC(=O)c1ccc(N[C@@H]2SC(=S)N(c3ccccc3)C2=O)cc1 4608414 WZSYQJWSBYHLIR-CQSZACIVSA-N 358.444 3.276 10 40 FGCB Cc1ccccc1NC(=S)NNc1nc(NC(C)C)nc(NC(C)C)n1 27546093 XROBLZJPXIJNBO-UHFFFAOYSA-N 374.518 3.134 10 40 FGCB CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc1 16818917 XFABPJLZIKIWGH-UVTDQMKNSA-N 365.476 3.240 10 40 FGCB CN(C)c1ccc(CNC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 12554693 YOXPJSMNHUBGFK-UHFFFAOYSA-N 373.507 3.052 10 40 FGCB CCNC1=CC(C)=C(O)[C@@H]2C(=O)c3c(O)c(C)cc(NCC)c3C(=O)[C@@H]12 100643760 INWFXCDEOOCMHA-DZGCQCFKSA-N 356.422 3.083 10 40 FGCB biogenic CCCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1CC(=O)OC 17076453 QCORMFVRUFAIQF-RGEXLXHISA-N 373.453 3.015 10 40 FGCB O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccnc1 3270892 DHRVLVXMBVQWID-DHDCSXOGSA-N 364.455 3.423 10 40 FGCB CCOC(=O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 4070703 WPYQPOQUWFLEQU-XFXZXTDPSA-N 355.868 3.494 10 40 FGCB Cc1c(-c2ccccc2)c(=O)oc2c(CN3CCN(C)CC3)c(O)ccc12 20605066 GJKMLSWKBWJKOJ-UHFFFAOYSA-N 364.445 3.221 10 40 FGCB aggregator,biogenic COc1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1Br 4501891 KTIVCCLRWWSKGP-UHFFFAOYSA-N 367.195 3.211 10 40 FGCB COC(=O)COc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1C 33316112 WMXOYDOYKQFMPB-SFQUDFHCSA-N 350.374 3.045 10 40 FGCB COC(=O)CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 1238460 SKNREVQXEFAKHR-YHYXMXQVSA-N 362.259 3.368 10 40 FGCB O=C(C[C@H]1SC(=S)N(Cc2ccccc2)C1=O)NC1CCCCC1 9189405 GRQAUMDSGPPCSW-OAHLLOKOSA-N 362.520 3.255 10 40 FGCB COCc1ccccc1C(=O)NCc1ccc(N2CCSCC2)cc1 48375291 HRZIHYALBOSCDF-UHFFFAOYSA-N 356.491 3.316 10 40 FGCB Cc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 15012676 GYMZNROPXVCDIC-GDNBJRDFSA-N 356.834 3.480 10 40 FGCB CN(C)c1ccc(/C=C/[C@@H]2CC(C(F)(F)F)=NC(=O)N2)cc1[N+](=O)[O-] 5334501 DPANLOSSSAZXCC-RXNUUUNCSA-N 356.304 3.159 10 40 FGCB CCN(CC)c1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 13343385 GGDINTSNJLMZOH-KAMYIIQDSA-N 364.492 3.209 10 40 FGCB CN(C)c1ccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1 12587196 FXYVODQUEBKFLC-UHFFFAOYSA-N 360.461 3.357 10 40 FGCB NC(=O)C1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 3352590 XSEMHTQVROQTBI-UHFFFAOYSA-N 363.255 3.005 10 40 FGCB Cc1ccc(O)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)/C=C\C(=O)O)c1 80316266 DBBUMYODQZYLBG-XZVRFQMRSA-N 368.364 3.158 10 40 FGCB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1cccc(F)c1 409131944 ZFOPUSFWYIBUTK-VIZOYTHASA-N 374.393 3.354 10 40 FGCB Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 408756413 RDOXFZOHULZMTG-UHFFFAOYSA-N 370.361 3.222 10 40 FGCB COc1ccc(OCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 13671224 YSLYSRLIPGNXBI-UHFFFAOYSA-N 354.450 3.381 10 40 FGCB CN1CCc2cc([C@H](CNC(=O)c3ccco3)N3CCCCC3)ccc21 11027652 ZXEWCESVOISADS-IBGZPJMESA-N 353.466 3.229 10 40 FGCB COc1ccc(N2CCN(C(=S)c3ccc(OC)cc3OC)CC2)cc1 1443479 AGEIZVAHCJRBSH-UHFFFAOYSA-N 372.490 3.210 10 40 FGCB COc1ccccc1OCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1C 103916957 UOAVTDMGUQEHJX-HKWRFOASSA-N 365.433 3.360 10 40 FGCB COC(CN(C)C1=NC(=O)/C(=C\c2cccc3ccccc23)S1)OC 12949728 JKNMJGJHXWOXHE-LFIBNONCSA-N 356.447 3.361 10 40 FGCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 6348192 MMQYSJTYESOIMD-JYRVWZFOSA-N 364.785 3.329 10 40 FGCB Cc1ccccc1CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 32863367 ZLBNRDJYKJOGSJ-UHFFFAOYSA-N 367.493 3.216 10 40 FGCB CCC(CC)NC(=O)CN(CC)Cc1cc(Br)ccc1O 76089716 ZLMGUSWFCINLJT-UHFFFAOYSA-N 357.292 3.281 10 40 FGCB Cc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cn1 62580671 HFSMFKZGTNUMMU-HXUWFJFHSA-N 353.466 3.277 10 40 FGCB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 409393165 PJCFIGOSOMZGSA-FOWTUZBSSA-N 359.341 3.008 10 40 FGCB CN(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 12817571 NAFCLNFQZINLLC-YLJYHZDGSA-N 351.450 3.498 10 40 FGCB C[C@H]1CN(C(C)(C)CNCc2cc(Br)ccc2O)C[C@@H](C)O1 58407516 QNMSDMGIBHSTRA-BETUJISGSA-N 371.319 3.132 10 40 FGCB Cc1noc(C)c1COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 8299823 YAFCNYAQJWNDHK-UHFFFAOYSA-N 361.353 3.424 10 40 FGCB COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C 18190247 XIAIRMJFNHYTJU-WQRHYEAKSA-N 350.418 3.363 10 40 FGCB CCOC(=O)C1CCN(Cc2c(O)c(CC)cc3c(C)cc(=O)oc23)CC1 6998149 PTBIKEDDNRJASR-UHFFFAOYSA-N 373.449 3.145 10 40 FGCB Cc1cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)n1-c1ccccc1 96901203 LOWWUGJFIKLJBS-ROUUACIJSA-N 362.429 3.228 10 40 FGCB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 408874237 AJLIOBCJLRZDJP-SFQUDFHCSA-N 364.401 3.369 10 40 FGCB CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccs1 21391529 IUIKSHPKWRYRQT-KRWDZBQOSA-N 359.495 3.040 10 40 FGCB COC(=O)CN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2C)C1=O 1150301 BHDRVFPDQOOMGY-WJDWOHSUSA-N 374.462 3.195 10 40 FGCB Cc1ccc(Sc2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)o2)cc1 4513328 MATJRXMODWQSDS-UHFFFAOYSA-N 372.471 3.338 10 40 FGCB CC(C)c1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1 41084965 ONFIFXJCVQKSGH-GQECEEOXSA-N 367.478 3.482 10 40 FGCB CCCC[C@@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 1891583 KKAFURCHZPIDAB-MRXNPFEDSA-N 359.422 3.110 10 40 FGCB biogenic COc1cc(/C=C2\SC(N(C)c3ccc(O)cc3)=NC2=O)ccc1O 1470463 IVJXSLXXZFWQSG-YBEGLDIGSA-N 356.403 3.213 10 40 FGCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1809286 FWRNJNCXXYDNLC-WQLSENKSSA-N 355.868 3.494 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2ccccc2n1 10906827 JNJJJXGACADPCL-UHFFFAOYSA-N 361.445 3.344 10 40 FGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccn1)N2 4623609 JXLVSBCVKUJJGM-BXTJHSDWSA-N 363.417 3.113 10 40 FGCB O=C1NC(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1 3141917 BCZLPMSPYWJEHB-UHFFFAOYSA-N 351.145 3.003 10 40 FGCB O=C(O)c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 59135982 KUCMJQIAOCUVGR-FMIVXFBMSA-N 370.361 3.196 10 40 FGCB O=C(CSCc1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1 30852212 BZRNSAYTSFDMQL-UHFFFAOYSA-N 374.481 3.212 10 40 FGCB COc1ccc(N2CCN(C(=S)c3ccc(OC)c(OC)c3)CC2)cc1 9188021 CFLMIZCQFMDZPJ-UHFFFAOYSA-N 372.490 3.210 10 40 FGCB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 4082867 SIZYJBMJALZXEF-SFHVURJKSA-N 350.422 3.019 10 40 FGCB CCN(CCCNC(=O)c1cccc(OC)c1OC)c1ccc(OC)cc1 225049933 WJIYJYTZUVCXRA-UHFFFAOYSA-N 372.465 3.359 10 40 FGCB O=C(CN1CCCC1)N1N=C(c2cccs2)C[C@H]1c1ccccc1O 10433970 JKUWEOLWZINSFD-INIZCTEOSA-N 355.463 3.227 10 40 FGCB Cc1cc(C(=O)COC(=O)C2CC2)c(C)n1-c1ccc2c(c1)OCCO2 6862295 NJOBSSZNLNEOAC-UHFFFAOYSA-N 355.390 3.001 10 40 FGCB Nc1nn(C(=O)c2ccccc2)c(N)c1/N=N\c1ccc([N+](=O)[O-])cc1 100643957 KSJDVOPPJQOKPZ-VXPUYCOJSA-N 351.326 3.060 10 40 FGCB O=C1NC(=S)N=C(O)/C1=C\c1cccc(OCc2ccccc2F)c1 17207334 KHJBRZFWHALAEF-UHFFFAOYSA-N 356.378 3.159 10 40 FGCB CCOc1ccccc1C[C@@H]1SC(=S)N(Cc2cccnc2)C1=O 6935900 KVHVHDZQJCMLJG-INIZCTEOSA-N 358.488 3.452 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1 409134607 WOFKLMKCXUUAOG-LFIBNONCSA-N 366.442 3.143 10 40 FGCB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1Cl 30324039 ZCDPAPBKUAAANJ-UHFFFAOYSA-N 368.886 3.235 10 40 FGCB COc1ccccc1Cc1cc(O)n2ncc(C(=O)Nc3ccccc3)c2n1 19570886 SEQOQMVCMAFMQZ-UHFFFAOYSA-N 374.400 3.287 10 40 FGCB COc1ccc(N2C(=O)[C@@H]3CCCN3[C@H]2c2ccc(N(C)C)cc2)cc1 240068092 SIAFABUZRKQTEN-VQTJNVASSA-N 351.450 3.271 10 40 FGCB COc1ccccc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 32937681 PKRAIFZLLKLJJQ-GOSISDBHSA-N 370.449 3.292 10 40 FGCB O=C(NCc1ccccc1)c1nnc(-c2sc3ncccc3c2O)s1 12522417 DTECDVRAMKKTSR-UHFFFAOYSA-N 368.443 3.450 10 40 FGCB C[C@@H](N/C=C1\C(=O)N=C(S)N(Cc2ccccc2)C1=O)c1ccccc1 103129839 YURXDWHNRYVBAV-RFRKOGIWSA-N 365.458 3.076 10 40 FGCB N=C1/C(=C\c2ccc(O)cc2)C(=O)N=C2SC(Cc3cccs3)=NN12 4672569 UEDMANKOMATNKO-KQCXNUNXSA-N 368.443 3.316 10 40 FGCB O=C(CSc1nc2ccccc2c(=O)n1C1CC1)c1ccc(O)c(O)c1 7860431 BIDXUVRDRYRNPQ-UHFFFAOYSA-N 368.414 3.118 10 40 FGCB CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1O 409145642 IYXPLNOUTCDPBQ-WJDWOHSUSA-N 368.414 3.191 10 40 FGCB Cc1cc(CNC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)on1 58424105 ZFUGRKKAXCLIAO-UHFFFAOYSA-N 367.405 3.092 10 40 FGCB CCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 16937655 PECYOSWZEPRIPP-RAXLEYEMSA-N 351.449 3.151 10 40 FGCB Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3ccc(F)cc3)sc2n1 10644892 IDDIZVVAKRUEOB-UHFFFAOYSA-N 373.409 3.430 10 40 FGCB CC(C)COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 96297687 XUGXKYIUCZCTHI-NTUHNPAUSA-N 351.449 3.007 10 40 FGCB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccco2)SC1=S 4478798 FAAGTJHTKMANHP-PCRWRXJSSA-N 359.428 3.177 10 40 FGCB Cc1cc(C)cc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c1 4819436 HGIDUSRRVDGZDI-UHFFFAOYSA-N 365.433 3.145 10 40 FGCB C[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1ccc(N2CCOCC2)cc1 68541915 KRHBBJKZKLMXHS-ZDUSSCGKSA-N 360.841 3.373 10 40 FGCB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccccc1/N=N/N(C)C 3378005 NHVMJPNGPRKYFQ-CTBAPTLKSA-N 366.421 3.382 10 40 FGCB CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)cc(Cl)c2OC(C)=O)S1 408917007 KRZIYGQNAZYSSR-WCIBSUBMSA-N 373.217 3.025 10 40 FGCB Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/N3CCCCC3)cc2)n1 4548562 GGEILFCVSZLZEN-LSDHQDQOSA-N 374.470 3.379 10 40 FGCB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1cccc(O)c1 5553119 WWQJOIUJXZFZSD-BOAPOFAJSA-N 372.427 3.088 10 40 FGCB CCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)SC1=S 4477966 PBBNLZHFCUAHHX-NYYWCZLTSA-N 372.265 3.399 10 40 FGCB CC1=[N+](c2ccccc2)NC(=O)/C1=C\c1c(C)nn(-c2ccccc2)c1O 100837925 RVKYXHPRIYMFSS-UHFFFAOYSA-O 359.409 3.120 10 40 FGCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(C(=O)O)cc2)SC1=S 8550924 WWCYJSJTACYDKW-ZROIWOOFSA-N 358.444 3.341 10 40 FGCB OC1CCN(c2ccc(CNc3ncnc4ccsc34)cc2F)CC1 52457638 CRTUXFWKNTXEFE-UHFFFAOYSA-N 358.442 3.404 10 40 FGCB Oc1cc2c(cc1O)Cc1cc(O)c(O)cc1Cc1cc(O)c(O)cc1C2 4262226 OOBDZXQTZWOBBQ-UHFFFAOYSA-N 366.369 3.006 10 40 FGCB O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccc2c(c1)OCO2 25049767 NAHRZJBAURYPMH-UHFFFAOYSA-N 363.345 3.301 10 40 FGCB COc1ccc2ccc(O)c(CN3CCN(Cc4ccncc4)CC3)c2c1 22797658 HLVCEQMMDWYAOZ-UHFFFAOYSA-N 363.461 3.267 10 40 FGCB CN(C)c1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)cc1 8997168 KNIYTMDMZGATPO-GZTJUZNOSA-N 367.380 3.394 10 40 FGCB O=C(c1cc2ccccc2c(CN2CCCCCC2)c1O)N1CCOCC1 8327169 RXZTYNHBLVRYGO-UHFFFAOYSA-N 368.477 3.394 10 40 FGCB COc1ccc(NC(=O)C[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 4714308 CZNNGLDYZKFSBL-OAHLLOKOSA-N 356.403 3.292 10 40 FGCB CCS(=O)(=O)NCCCN(Cc1ccccc1)c1ccc(OC)cc1 89274451 UQCKABYQTNUHEO-UHFFFAOYSA-N 362.495 3.031 10 40 FGCB CC(C)N1CCCc2cc(CNC(=O)CCc3csc(N)n3)ccc21 19664807 UAIAZJLTFHULTR-UHFFFAOYSA-N 358.511 3.135 10 40 FGCB O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\C=C\c1ccccc1 13522455 ZRCCDSAAMJJQCI-DFBITEFZSA-N 364.376 3.086 10 40 FGCB CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1O 15015196 CBGQEKXIRAJAAT-CDCQXCROSA-N 365.476 3.171 10 40 FGCB COc1ccc(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)cc1 35529746 ZNCUGCWBCQHPRR-XNTDXEJSSA-N 354.387 3.476 10 40 FGCB Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)OC(C)(C)OC2=O)o1 861917 QHGYBWFVFTZROJ-UHFFFAOYSA-N 357.318 3.383 10 40 FGCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2cccn2C)SC1=S 6846408 DSDYGEFJZUUJCY-ZROIWOOFSA-N 358.444 3.438 10 40 FGCB CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 13343656 YMROUWWXJZVOEG-LCYFTJDESA-N 351.449 3.151 10 40 FGCB COc1ccc(N2C(=O)[C@H]3CCCN3[C@H]2c2ccc(N(C)C)cc2)cc1 57010999 SIAFABUZRKQTEN-WOJBJXKFSA-N 351.450 3.271 10 40 FGCB CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc1 844417 DZPCWCKSWPLNQR-GOSISDBHSA-N 359.470 3.360 10 40 FGCB CC(C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1C 6973036 OJFFWVDOINDZKC-UHFFFAOYSA-N 368.300 3.466 10 40 FGCB CN(Cc1ccccc1O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 47542559 HNCSTAZBQNUSFS-UHFFFAOYSA-N 355.316 3.392 10 40 FGCB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1276523 SPVLAUPOXFJFEQ-GHXNOFRVSA-N 355.868 3.493 10 40 FGCB COc1ccc(C(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1 18094225 ZAVLTADQSNIAHB-UHFFFAOYSA-N 350.403 3.490 10 40 FGCB Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 408754032 DBIIXUBOLKLQJR-UHFFFAOYSA-N 370.361 3.222 10 40 FGCB Cn1ccc(/C=C2/SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)c1 5373994 GAUJTMLMYHWOMV-SSUFTNFISA-N 358.444 3.052 10 40 FGCB Cc1cc(C(=O)Cn2nnc3ccccc32)c(C)n1-c1ccc2c(c1)OCO2 6652600 NQCNMZZZLOOHMN-UHFFFAOYSA-N 374.400 3.450 10 40 FGCB CC(C)OC(=O)CN1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 205708775 NIQHZJRYFIJXOB-OWRQJNCQSA-N 374.462 3.297 10 40 FGCB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccccc1O 12492099 RQEWMXYMYOWHQB-HNBAAQFOSA-N 372.427 3.088 10 40 FGCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NCCC1=CCCCC1 100401308 OEVDSIXCYRWPIE-SDXDJHTJSA-N 371.481 3.319 10 40 FGCB COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)C(=S)N=C3O)c2C)cc1 2391656 XBJLUXWNEIOVLI-MHWRWJLKSA-N 369.446 3.200 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cc4cc(F)ccc4n3C)CC2)cc1 72401459 ZJUMDZMWNOLADF-UHFFFAOYSA-N 367.424 3.288 10 40 FGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 18996587 JBRLTLUCENDCHL-YBEGLDIGSA-N 351.362 3.117 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(F)cc1 30994073 XTIVXSLLVFROMG-UHFFFAOYSA-N 357.429 3.004 10 40 FGCB CC(C)CN1C(=O)/C(=C/N2CCN(c3ccccc3)CC2)SC1=S 32051751 ZHNQIVLUMCSHQF-SSZFMOIBSA-N 361.536 3.166 10 40 FGCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2OC)SC1=S 5373551 XEJGPWJVWNQYOX-WXHLEUTKSA-N 365.476 3.396 10 40 FGCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\NCCc3ccccc3)C2=O)c1 103120342 JFVUUVZGUKGRGJ-QGOAFFKASA-N 363.417 3.443 10 40 FGCB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N1CCCC1 27530589 HLGUVGMCVBTJLJ-SDNWHVSQSA-N 364.467 3.039 10 40 FGCB CCc1cc(CN2CCN(c3ncccn3)CC2)c(O)c(C(C)(C)C)c1 40161120 WLEVNYITTNIXMY-UHFFFAOYSA-N 354.498 3.364 10 40 FGCB Cc1cc(C)n(C2CCN(Cc3ccc(N4CCOCC4)cc3C)CC2)n1 19656973 ZBRCFVCAIZBSMX-UHFFFAOYSA-N 368.525 3.482 10 40 FGCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1cccc([N+](=O)[O-])c1 20265126 QLZMWGGIDSEEMS-ZROIWOOFSA-N 369.358 3.375 10 40 FGCB COCCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cc(C)on1 44085853 OZHKRXXUWMXTIJ-UHFFFAOYSA-N 372.450 3.224 10 40 FGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 5544254 RZCNWIFNGYYUMU-CHHVJCJISA-N 365.345 3.438 10 40 FGCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 2125981 YIDKIGRXGSITHW-SFQUDFHCSA-N 374.352 3.106 10 40 FGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1cccnc1 4467586 XMWKPRCNYPMGHA-SFQUDFHCSA-N 368.437 3.013 10 40 FGCB COc1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1Cl 3109043 SYIKXNAARPJDCR-UHFFFAOYSA-N 374.780 3.042 10 40 FGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(OC)c(OC)c1 6634334 ZLBHBFWOBABJOO-WJDWOHSUSA-N 371.433 3.319 10 40 FGCB CCOc1cccc(-c2nnc3n2N=C(c2ccc(O)c(O)c2)CS3)c1 5091332 ZPWUPJRFSIIKJG-UHFFFAOYSA-N 368.418 3.113 10 40 FGCB O=C1N[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)Nc2ccccc21 5700493 JTCXFHRXUNDIFL-GOSISDBHSA-N 352.394 3.439 10 40 FGCB CCn1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 409102737 ZPXCRSGPMLKYEF-NTEUORMPSA-N 360.460 3.337 10 40 FGCB COC(=O)c1cccc(NC(=S)NCCN(C)c2ccc(C)cc2)c1 225796171 BFVTUADXHWPKNF-UHFFFAOYSA-N 357.479 3.204 10 40 FGCB CN1C(=O)/C(=C\c2ccc(C(=O)NCc3ccco3)cc2)SC1=S 4745909 GUJKNEBJOPSSAL-NTEUORMPSA-N 358.444 3.041 10 40 FGCB COc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(OC)c1 48375285 BFWOCIRJWXPTSO-UHFFFAOYSA-N 372.490 3.187 10 40 FGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1 5575881 NVBIMFLUMVDHDN-ZROIWOOFSA-N 367.796 3.228 10 40 FGCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 408872800 IYXOSNJZCOCKRM-CXUHLZMHSA-N 370.792 3.323 10 40 FGCB CCOC(=O)c1cccc(NC(=S)NCCN(C)c2ccccc2)c1 225571570 VKEXPSPVAIESPP-UHFFFAOYSA-N 357.479 3.286 10 40 FGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccccc1O 836500 IMCUZYUBEBSAKF-JXAWBTAJSA-N 365.458 3.185 10 40 FGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccccn3)cc2)SC1=S 4486138 SURWKXAUPNMIFC-JLHYYAGUSA-N 355.444 3.165 10 40 FGCB O=Cc1ccc(/C=C2\C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 686968 LMNWEDHNXYHLOH-NTUHNPAUSA-N 361.184 3.267 10 40 FGCB Cc1ccc(C2=NN3C(=N)/C(=C/c4ccc(O)cc4)C(=O)N=C3S2)cc1 4121995 RNKSRNJHWKAPPT-YERBQUFUSA-N 362.414 3.368 10 40 FGCB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1cccnc1 16672924 XMWKPRCNYPMGHA-ATVHPVEESA-N 368.437 3.013 10 40 FGCB CCN(CC)CCN1C(=O)/C(=C\c2nc3ccccc3n2C)SC1=S 5235985 ZRQUYEZDRWIKHP-NTCAYCPXSA-N 374.535 3.116 10 40 FGCB CN(CCO)c1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3 4772692 JTJHJXCRBSTHKX-UHFFFAOYSA-N 373.206 3.230 10 40 FGCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1cccc(Br)c1 409191400 GNRSQAPJVBYAFV-OVCLIPMQSA-N 374.238 3.379 10 40 FGCB CC1=CC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=N)N2O1 41078284 MTBKXPLIEMTVRC-IBEXDWOESA-N 364.317 3.305 10 40 FGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 3071874 ZAHJHACRNMXCJV-FNWMBBJUSA-N 351.449 3.150 10 40 FGCB Cc1ccc2nc(C)cc(C(=O)NCc3cc([N+](=O)[O-])ccc3O)c2c1 32972125 WGSWTEHIURQHSP-UHFFFAOYSA-N 351.362 3.395 10 40 FGCB COc1ccc(N2CCN(C(=O)COc3cc(C)cc(C)c3C)CC2)cc1 7256215 DPAGMYGGDLLFQY-UHFFFAOYSA-N 368.477 3.348 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccco2)n(C)c1=S 12534393 ZPQYBKILTRUVTC-UHFFFAOYSA-N 357.483 3.367 10 40 FGCB O=C1N=C(S)N(Cc2ccc(F)cc2)C(=O)/C1=C\Nc1cccc(F)c1 102563340 FZVNSCFJAWHEQM-DHDCSXOGSA-N 373.384 3.115 10 40 FGCB N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SC=C(c3ccccc3)N12 4860084 BOMRBRJPSOMQBF-FWAMYBDSSA-N 363.398 3.402 10 40 FGCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccoc1 409236144 DLTJOBXIMPPQAT-WUXMJOGZSA-N 366.320 3.130 10 40 FGCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 7496792 MXBYLCGJZHYMGI-UHFFFAOYSA-N 371.393 3.001 10 40 FGCB Cc1nc(C(=O)N(C)Cc2ccc(N(C)C)cc2)nn1-c1ccc(F)cc1 8401159 UZSDHWMXGBJUBD-UHFFFAOYSA-N 367.428 3.053 10 40 FGCB CCOc1cccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c1O 409139145 MWCJXIFQZXJSHF-PTNGSMBKSA-N 368.414 3.191 10 40 FGCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 409410094 YVADJXIDFGBAFH-MTOJCTJASA-N 366.417 3.334 10 40 FGCB Nc1c(C(=O)NCCc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 5520561 WXYMGHLNFSNMAI-UHFFFAOYSA-N 370.408 3.017 10 40 FGCB COc1cc([C@@H]2CC(c3cccs3)=NN2C(C)=O)c(O)c([N+](=O)[O-])c1 4393223 BXDDFPUDDMZGHY-ZDUSSCGKSA-N 361.379 3.068 10 40 FGCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1O 27530360 PIELGBPLRFXIGM-VGOFMYFVSA-N 373.411 3.202 10 40 FGCB O=C(Cc1ccccc1)NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 35040413 KPALUHNLMDNZNK-XNTDXEJSSA-N 372.446 3.301 10 40 FGCB COc1ccc(N2CCCN(C(=O)c3ccc4nc(C)[nH]c4c3)CC2)cc1 19576704 YDFNGZASRDSHBU-UHFFFAOYSA-N 364.449 3.232 10 40 FGCB O=C1c2ccccc2C(=O)c2c1cccc2-c1cnn(C2CCNCC2)c1 1857524037 RUCYSQLKCYBLDW-UHFFFAOYSA-N 357.413 3.250 10 40 FGCB CCCC1=NN2C(=N)/C(=C/c3ccc(OC)c(OC)c3)C(=O)N=C2S1 4103976 IEAXHIBOGOYQFE-CQWRCJHRSA-N 358.423 3.123 10 40 FGCB CN1CCCc2cc(CNC(=O)Cc3cnn(-c4ccccc4)c3)ccc21 58769927 RDXVQWYQWFEIRD-UHFFFAOYSA-N 360.461 3.114 10 40 FGCB CCCC1=NN2C(=N)/C(=C/c3coc4ccccc4c3=O)C(=O)N=C2S1 41108474 LCNBONKIAHSAFW-JDNHBDJVSA-N 366.402 3.212 10 40 FGCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCn1cccn1 604419009 HWBUYPREANPVGH-UHFFFAOYSA-N 355.397 3.500 10 40 FGCB COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 13810603 HEWZPKNYDOXVDC-GHXNOFRVSA-N 363.200 3.463 10 40 FGCB COc1cc2c(cc1[C@@H](c1cc3c(cc1O)OCO3)N1CCCC1)OCO2 36646393 QATRSYQIZNVQMT-HXUWFJFHSA-N 371.389 3.043 10 40 FGCB O=C(NCc1ccc(N2CCC(CO)CC2)cc1)Nc1ccc(F)cc1 47322607 TUCZSPKRXOEHQH-UHFFFAOYSA-N 357.429 3.356 10 40 FGCB C[C@H]1CC(C)(C)N(C)c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)cc21 113775714 DGWLTNPBXWELID-LBPRGKRZSA-N 371.506 3.007 10 40 FGCB COCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 9189382 LVUVXUKVHQLCMG-FLIBITNWSA-N 358.282 3.297 10 40 FGCB CCCOc1c(Cl)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OC 409026942 IYLSNNSAYZUIHD-JYRVWZFOSA-N 368.842 3.244 10 40 FGCB COc1ccc(N(C)CCNC(=S)Nc2ccc(F)cc2F)cc1 225798274 BZINZBAOSURAPJ-UHFFFAOYSA-N 351.422 3.396 10 40 FGCB CCN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 1085290 HZSNRTFTOUUFRA-QGOAFFKASA-N 363.417 3.118 10 40 FGCB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 16157347 RMFAKWGDVHOSGV-GDNBJRDFSA-N 356.765 3.015 10 40 FGCB O=C1OC2(CCCCC2)OC(=O)C1=CNc1nc2ccc(F)cc2s1 23127176 CHFKXENWNGJSKR-UHFFFAOYSA-N 362.382 3.492 10 40 FGCB Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)Nc1ccc(O)cc1 36358086 LDGZMPYXUMHGNT-UHFFFAOYSA-N 361.398 3.135 10 40 FGCB CC1=NN(c2nnn[nH]2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1 39361380 FNBFRLHMLNLQLA-MDWZMJQESA-N 368.784 3.228 10 40 FGCB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(Cl)c3)C2=O)cc1 408778899 ZJVJDRJTNURWQS-NTEUORMPSA-N 370.792 3.274 10 40 FGCB N#Cc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 33871434 UCTXCEHGVGUESX-PDGQHHTCSA-N 355.353 3.280 10 40 FGCB O=C(c1ccc(NC(=S)NCc2ccccn2)cc1)N1CCCCC1 225330739 UUFRIMSPLPOFHV-UHFFFAOYSA-N 354.479 3.194 10 40 FGCB O=C1CSC(=S)N1NC(=S)Nc1ccc(SC(F)F)cc1 3260810 KWJIWLQHGGVZGE-UHFFFAOYSA-N 365.477 3.063 10 40 FGCB CCCCOC(=O)CN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 5214249 IYUVSAXQBIVTIN-GXDHUFHOSA-N 365.476 3.240 10 40 FGCB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cccc(Cl)c1 408908432 CKXSRKLMVXOWKK-OVCLIPMQSA-N 373.865 3.004 10 40 FGCB CC1(C)[C@@]2(C(=O)N3CCC(Cc4ccccc4)CC3)CC[C@@]1(C)C(=O)C2=O 100867786 HMXOJFWZKFSVNF-GOTSBHOMSA-N 367.489 3.432 10 40 FGCB O=C1NC(=S)S/C1=C/c1cc(Br)c(N2CCCC2)o1 59249452 LSUHSCFJEAYGPA-RMKNXTFCSA-N 359.270 3.131 10 40 FGCB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 4648603 GGYRIVWUSYQLGY-HKJJFUAXSA-N 374.462 3.275 10 40 FGCB COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccccc1O 4679090 MCSQQZUQQTXVHZ-UHFFFAOYSA-N 367.405 3.243 10 40 FGCB CN(C)c1ccc(CNC(=O)COc2ccccc2C(F)(F)F)cc1 32246886 QMWSLXROSGFDCI-UHFFFAOYSA-N 352.356 3.467 10 40 FGCB COc1ccc(OC)c(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)c1 977411 KANMHVYZXSCTMJ-UHFFFAOYSA-N 354.358 3.060 10 40 FGCB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccccc1O)c1ccccc1 3641552 WRRVPECGCFOMPX-IBGZPJMESA-N 359.385 3.304 10 40 FGCB O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc([N+](=O)[O-])c1 48368237 WFPUUOYLFNYWBS-UHFFFAOYSA-N 357.435 3.078 10 40 FGCB O=C(O)Cc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 4193752 TUMVMYLEAAHBJD-ZROIWOOFSA-N 356.428 3.115 10 40 FGCB COc1ccc([C@H](c2ccc3cccnc3c2O)N2CCOCC2)cc1 20265766 SBZQPOWZGHEGPU-HXUWFJFHSA-N 350.418 3.371 10 40 FGCB Cc1cc(=O)oc2c(CN3CCN(c4ccc(F)cc4)CC3)c(O)ccc12 95476319 NBZPRVLKLZVCMT-UHFFFAOYSA-N 368.408 3.268 10 40 FGCB Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(F)cc1 2402564 WNSHIRNFCPBWIA-ZMWDXYKNSA-N 367.409 3.482 10 40 FGCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)cc1 25402604 SECBTLYQEDFBLN-UHFFFAOYSA-N 374.488 3.447 10 40 FGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(C)s2)C1=O 409239752 DWYFHEVMZHVARC-JLHYYAGUSA-N 356.403 3.122 10 40 FGCB CC(C)C[C@H]1NC(=O)N(CN(C)Cc2ccc(N3CCCCC3)cc2)C1=O 23641806 JMCNZTJGOAIWJN-LJQANCHMSA-N 372.513 3.033 10 40 FGCB CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccccc2O)NC(=S)N1 828855 SZHPRCPKHGNWQW-KRWDZBQOSA-N 353.447 3.132 10 40 FGCB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCc1ccc(O)c(O)c1 2259716 HGDKTUJLMKMEJR-UHFFFAOYSA-N 355.781 3.185 10 40 FGCB COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl 4725191 SBRHTQOTSVKSAW-LCYFTJDESA-N 372.833 3.180 10 40 FGCB Cc1cccc(N2C[C@@H](C(=O)N(C)Cc3ccccc3O)CC2=O)c1C 42117433 NUVKHFJUKZBYIX-KRWDZBQOSA-N 352.434 3.021 10 40 FGCB CCN(CC)c1ccc(CN(C)C(=O)c2cccc(S(C)(=O)=O)c2)cc1 9932394 SPTCFQQIOYKQQW-UHFFFAOYSA-N 374.506 3.209 10 40 FGCB CC(C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)C=[N+]=[N-] 306628608 BVQNUSIQJSEXIR-HXUWFJFHSA-N 363.417 3.419 10 40 FGCB COc1ccc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5097688 BYXNBWRYHUPXAD-NRFANRHFSA-N 369.509 3.113 10 40 FGCB CCN(CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O 10433987 SIIUYAVYSWCVCY-MRXNPFEDSA-N 357.479 3.473 10 40 FGCB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 1835915 NGBCUZOLYWHZEJ-CBFJXKFUSA-N 359.519 3.156 10 40 FGCB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 13570626 ZBBFKCJCVGSYEG-WJDWOHSUSA-N 362.341 3.202 10 40 FGCB CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1 7243761 LFKJMCAUTIXOOF-UHFFFAOYSA-N 371.868 3.463 10 40 FGCB CCN1C(=O)N=C(O)/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O 1163442 PKCSSTUWGJHRHQ-VZUCSPMQSA-N 362.183 3.252 10 40 FGCB O=C(O)CCCN1C(=O)/C(=C/c2cn[nH]c2-c2ccccc2)SC1=S 2700858 UFOPSUOQAYYCEH-LCYFTJDESA-N 373.459 3.143 10 40 FGCB C[C@H]1CN(C2=NC(=O)/C(=C/c3c[nH]nc3-c3ccccc3)S2)C[C@H](C)O1 3904305 CUBAANKEPOUECM-GKUYHTSYSA-N 368.462 3.156 10 40 FGCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S 409205923 RCWFAZHDJCXUES-OVCLIPMQSA-N 358.444 3.371 10 40 FGCB Cc1cc(N2CCCCC2)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33626833 HINPPMUEWWMRFA-HKWRFOASSA-N 361.445 3.447 10 40 FGCB COc1cc2c(c(O)c1OC)[C@H]1Cc3ccc(OC)c(OC)c3CN1CC2 4963329 GSPIMPLJQOCBFY-OAHLLOKOSA-N 371.433 3.082 10 40 FGCB biogenic COc1ccc(N2CCN(C(=O)c3cc4cccc(OC)c4o3)CC2)cc1 13684614 MVAXBRFQBVKOFQ-UHFFFAOYSA-N 366.417 3.412 10 40 FGCB biogenic CO[C@]1(c2nnc(COc3ccc4c(c3)c(C)c(C)n4C)o2)CCOC1 643652175 XAIHVTMGFANBJI-LJQANCHMSA-N 357.410 3.019 10 40 FGCB COc1ccc(Cl)cc1NC=C1C(=O)OC2(CCCCC2)OC1=O 1000407 NHSWYUPIJJJIHI-UHFFFAOYSA-N 351.786 3.405 10 40 FGCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)N1CCOCC1 100163492 SRFQGTZLZQUQOT-LGMDPLHJSA-N 370.478 3.405 10 40 FGCB COC(=O)[C@@H](C)Oc1ccc2c(-c3ccc(OC)cc3)cc(=O)oc2c1 2087793 FCYSHOMZABROHP-GFCCVEGCSA-N 354.358 3.409 10 40 FGCB biogenic Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1ccccc1F 45360565 WZBYDBJIZAYSDV-UHFFFAOYSA-N 358.413 3.212 10 40 FGCB COc1ccc(N2CCN([C@@H](C(=O)O)c3c[nH]c4ccccc34)CC2)cc1 20728234 AEHWMGSUJFUIKR-HXUWFJFHSA-N 365.433 3.124 10 40 FGCB O=C(C1=CN(c2ccc(F)cc2)c2ccccc2S1(=O)=O)N1CCCC1 49003771 VAUHDYJJCGSALR-UHFFFAOYSA-N 372.421 3.215 10 40 FGCB Cc1cc(C(=O)COC(=O)C(C)C)c(C)n1-c1ccc2c(c1)OCCO2 6862291 SEQHOEXWOGWTQC-UHFFFAOYSA-N 357.406 3.247 10 40 FGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cc(C)ccc2C)C1=O 408535553 TXOUHTKIHSXUNG-FOWTUZBSSA-N 363.417 3.445 10 40 FGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1cc([N+](=O)[O-])ccc1O 34235030 WBSPIDVAXUVDQY-XNTDXEJSSA-N 352.350 3.327 10 40 FGCB S=C1SCN(c2ccc3c(c2)OCO3)CN1c1ccc2c(c1)OCO2 1766639 ZVYPDHLECIQCMJ-UHFFFAOYSA-N 374.443 3.404 10 40 FGCB CCc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 5181636 YMOMQACASFSFLF-BDNIKMBYSA-N 361.430 3.311 10 40 FGCB CN(Cc1ccc(N2CCCCC2)cc1)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 7317316 SSEWXBCTZYNSBF-PMACEKPBSA-N 367.493 3.017 10 40 FGCB Cc1nc2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2s1 781119892 CYQPSQAGILCYTJ-UHFFFAOYSA-N 362.461 3.410 10 40 FGCB CCCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1CC(=O)OC 17074402 SUIDULOKPJCHJI-AQTBWJFISA-N 361.417 3.145 10 40 FGCB COc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c(F)c1 3912313 XCAGNOAFRKBFNG-IBGZPJMESA-N 359.446 3.005 10 40 FGCB COc1ccc(C2=NN(C(=O)CN=[N+]=[N-])[C@H](c3ccco3)C2)cc1OC 102575573 FUEYWRDTSZMZLC-ZDUSSCGKSA-N 355.354 3.285 10 40 FGCB Nc1cc(N)c(/N=N/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)cc1Cl 16383255 HCOPKOHYVNROPN-WUKNDPDISA-N 352.694 3.442 10 40 FGCB O=C(O)CCCN1C(=O)/C(=C/c2cc3ccccc3nc2O)SC1=S 5387713 RWWNHWYJPHDDQU-LCYFTJDESA-N 374.443 3.006 10 40 FGCB Cc1ccccc1N1C[C@](O)(c2cccc([N+](=O)[O-])c2)[N+]2=C1SCCC2 2966081 SWGPRULRWZVVBP-IBGZPJMESA-N 370.454 3.074 10 40 FGCB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 820538 KJFPHPYOAYAOMX-LJQANCHMSA-N 365.433 3.124 10 40 FGCB Cc1cc(C)cc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 10907039 RUCCFEQGELLJJZ-UHFFFAOYSA-N 368.477 3.177 10 40 FGCB COC(=O)c1cccc(-n2c(CC(=O)O)cc3c2CC(C)(C)CC3=O)c1 675029642 CZOVGOWKWZGUBA-UHFFFAOYSA-N 355.390 3.046 10 40 FGCB CCOC(=O)CSc1cc(C)c2c(N)c(C(=O)OCC)sc2n1 1579480 WGMMSEJGEPLKQY-UHFFFAOYSA-N 354.453 3.019 10 40 FGCB CN(C)c1ccc([C@@H]2CC(c3ccsc3)=NN2C(=O)CCC(=O)O)cc1 1554503009 APMWQNYAFWAJRS-KRWDZBQOSA-N 371.462 3.357 10 40 FGCB Cc1ccc(C2=NN3C(=N)/C(=C\c4ccc(O)cc4)C(=O)N=C3S2)cc1 4599509 RNKSRNJHWKAPPT-BDNIKMBYSA-N 362.414 3.368 10 40 FGCB COc1ccc(CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)c(O)c1 13994415 OKYMTPDAYBTQLE-GOSISDBHSA-N 371.433 3.311 10 40 FGCB Cc1c2c(c(C)c3c1C(=O)c1cc4c(cc1C3=O)OCO4)OC(C)(C)O2 5759659 VQPKHQANWNJKEL-UHFFFAOYSA-N 352.342 3.315 10 40 FGCB Nc1c(Cl)cc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1Cl 4491408 FWGRJUUHKRFNDH-UHFFFAOYSA-N 351.145 3.074 10 40 FGCB CCCOC(=O)CN1C(=O)/C(=C\c2ccc(OCC)cc2)SC1=S 6073055 RLEXJUXPCKZOMU-GXDHUFHOSA-N 365.476 3.240 10 40 FGCB Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)cc2)cc1 409228269 WOOTYYOXZAOQOJ-LFIBNONCSA-N 368.483 3.403 10 40 FGCB CC1=Nc2ccccc2[C@@H]1/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O 100925020 DGNJZOUDHYRKGL-YLQKULKDSA-N 351.406 3.214 10 40 FGCB CCCCN1C(=O)NC(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)C1=O 9111613 WJKGCZDFUYJCLY-OBGWFSINSA-N 369.465 3.329 10 40 FGCB COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)c1 13424462 VXEYUWANWDGQJE-DHDCSXOGSA-N 356.403 3.205 10 40 FGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(F)c2)cc1 225672154 SQPTZVKNXSUZLI-UHFFFAOYSA-N 366.458 3.159 10 40 FGCB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccnc1 1252279 WLVHHLDNVJWRFW-PTNGSMBKSA-N 369.471 3.312 10 40 FGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(O)c(C(=O)O)c1 16160729 BJEUIDWNNLPRGL-DHDCSXOGSA-N 371.780 3.462 10 40 FGCB COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)s3)C2=O)cc1 408965442 HNMVBKNDKCJHRA-XYOKQWHBSA-N 362.794 3.077 10 40 FGCB Nc1ccc(Nc2ccccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O 5002966 AMWKTROIQUGOTA-UHFFFAOYSA-N 358.353 3.486 10 40 FGCB CCc1nnc(S/C(=C/c2ccc(N3CCCC3)cc2C)C(=O)O)[nH]1 7342620 JWLYSHFLFONDSK-RVDMUPIBSA-N 358.467 3.494 10 40 FGCB CC[C@H](c1nnnn1C(C)(C)CC)N1CCN(c2ccc(OC)cc2)CC1 57669854 BJYHINAFNZVHGH-GOSISDBHSA-N 372.517 3.100 10 40 FGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 1236429 KTYGAQCRLRUJII-SVSAJMPUSA-N 360.460 3.478 10 40 FGCB O=c1/c(=C/c2ccc(N3CCCCC3)cc2)sc2nc3ccccc3n12 8643168 SFWHSRXGBVNWND-RGEXLXHISA-N 361.470 3.447 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1 409228101 UCUXLJUAUXCNJZ-LFIBNONCSA-N 366.442 3.143 10 40 FGCB O=C1C(=Cc2ccc([N+](=O)[O-])cc2)SC(=S)N1CN1CCCCC1 2049236304 XSRVSRILLFGKDJ-UHFFFAOYSA-N 363.464 3.239 10 40 FGCB CCN1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)SC1=S 33806899 OHZUDMPOVAUIEP-UVTDQMKNSA-N 358.444 3.397 10 40 FGCB COc1ccc(N2CCN(C(=O)c3ccccc3-n3cccc3)CC2)cc1 32070873 RFUPFBRBFCCCOG-UHFFFAOYSA-N 361.445 3.448 10 40 FGCB O=C1Nc2ccccc2/C1=C1\SC(=S)N(c2ccc(O)cc2)C1=O 1228429 DYIMXSLNVNKKDT-BUHFOSPRSA-N 354.412 3.120 10 40 FGCB CCc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 225776069 AIOZICABFWLULC-UHFFFAOYSA-N 368.550 3.487 10 40 FGCB COc1cccc(/C=C2/C(=O)NN(c3cccc(C(F)(F)F)c3)C2=O)c1 15658630 FMHJIEZMUDPIGD-DHDCSXOGSA-N 362.307 3.175 10 40 FGCB CSc1ncc(Cl)c(C(=O)NCc2ccc(N3CCCC3)cc2)n1 28333341 JUQJKCIQIILFHY-UHFFFAOYSA-N 362.886 3.382 10 40 FGCB Cc1cc(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c(C)n1-c1ccccc1 6788689 YXLJTLVAJGAPGT-GOSISDBHSA-N 367.449 3.243 10 40 FGCB COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OC 409349704 QMCIIPBCKAEVJY-POHAHGRESA-N 374.281 3.297 10 40 FGCB CN1C(=O)C(=Cc2cccc(Oc3ccccc3)c2)C(=O)N(C)C1=S 59139325 LUXBQDWYLMLQAK-UHFFFAOYSA-N 352.415 3.078 10 40 FGCB Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] 10907121 ULXOKSGXUIIMSR-UHFFFAOYSA-N 369.421 3.012 10 40 FGCB COC(=O)C1=CN(c2cc(C)ccc2C)c2cc(F)ccc2S1(=O)=O 64979178 AFVXBOYOENLEQC-UHFFFAOYSA-N 361.394 3.382 10 40 FGCB CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1C 409103179 XGWHORMBNSUWQF-GZTJUZNOSA-N 367.474 3.265 10 40 FGCB CN(CCCNC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1 33771322 SLBMRNXFAVXNBG-UHFFFAOYSA-N 357.479 3.271 10 40 FGCB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408802296 YBOHHVQUVIZQNM-DTQAZKPQSA-N 350.374 3.142 10 40 FGCB Cc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)o1 35648539 BUXTWARIGGNSKA-MKRLJBPISA-N 373.455 3.485 10 40 FGCB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccn1 222728701 VHXNFZPWHRQXOH-OALUTQOASA-N 363.490 3.486 10 40 FGCB COc1ccc(N2CCN(C(=O)/C=C/c3nc4ccccc4o3)CC2)cc1 7150236 WUSIHNFSQYDRIT-ZHACJKMWSA-N 363.417 3.198 10 40 FGCB O=C1C/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1cccc(C(F)(F)F)c1 9048439 OREUFJXFGWEUDN-IZZDOVSWSA-N 363.291 3.464 10 40 FGCB COCCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 409138220 ZOSPCMBJEJARRD-FOWTUZBSSA-N 364.442 3.499 10 40 FGCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)c1 409220732 FAHFYGQHNBCFSI-MHWRWJLKSA-N 367.474 3.090 10 40 FGCB O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1CCc1ccc(O)cc1 10232938 WVLOXYSBRBZHFG-YBEGLDIGSA-N 373.455 3.247 10 40 FGCB Cc1nn2c(=O)cc(CSc3ncc(-c4ccccc4)n3C)nc2s1 57996429 VAJWVNGWKGJYMJ-UHFFFAOYSA-N 369.475 3.152 10 40 FGCB Cc1ccc2cccc(OC(=O)[C@]34CC[C@](C)(C(=O)C3=O)C4(C)C)c2n1 6719082 XBZNJZUHBRAWLG-RTWAWAEBSA-N 351.402 3.413 10 40 FGCB Cc1cc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)no1 7379355 MMHOLHXKPLVZBT-UHFFFAOYSA-N 353.378 3.186 10 40 FGCB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccc(O)cc1 2445011 DPUJGNDOGYCBII-GSPDUGTFSA-N 372.427 3.088 10 40 FGCB COc1ccccc1-n1c(C)cc(C(=O)N[C@@H](CC(C)C)C(=O)O)c1C 5205502 KVIPAUQURZGEOC-INIZCTEOSA-N 358.438 3.332 10 40 FGCB COc1cc(OC)c(OC)cc1/C=C1/SC(N2CCCCC2)=NC1=O 639488 LPLZBVBVOCPNOA-MHWRWJLKSA-N 362.451 3.169 10 40 FGCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S 1817322 NEKSCRPLGMYFGM-RNQWEJQRSA-N 356.428 3.109 10 40 FGCB O=C1C/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1cccc(Br)c1 9476898 MYZMSYRLPKOPJD-IZZDOVSWSA-N 374.190 3.207 10 40 FGCB CCOC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1 408901501 GFKGYUXARZVICJ-CPNJWEJPSA-N 364.401 3.435 10 40 FGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408893867 NWSQIDKBHFALPP-YBEGLDIGSA-N 358.394 3.314 10 40 FGCB N=C1/C(=C\c2cccs2)C(=O)N=C2SC(COc3ccccc3)=NN12 6282778 SDMUNQZAQZDMHB-UMNMHFGOSA-N 368.443 3.446 10 40 FGCB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(N)cc1 930568 FWTAMDBZOFDKGM-UHFFFAOYSA-N 367.478 3.202 10 40 FGCB Oc1cc2c(cc1[C@H](Nc1ccccn1)c1ccc3c(c1)OCO3)OCO2 1586961 DVDBBDLFUXCNEI-HXUWFJFHSA-N 364.357 3.446 10 40 FGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCCCCC1 4745379 JWHFKUQBSIOOMQ-JLHYYAGUSA-N 366.533 3.352 10 40 FGCB Cc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-] 10906291 HQZVEZSDBRGIMZ-UHFFFAOYSA-N 369.421 3.012 10 40 FGCB O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(CCc3ccccc3)[nH]c21 4863033 KFCQBPCEOFXSHI-UHFFFAOYSA-N 368.392 3.348 10 40 FGCB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 113959712 UGYLTCQJWTZBLD-SFHVURJKSA-N 368.477 3.224 10 40 FGCB CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)N(CC)C1=S 1154731 ZKYQMMPDUISYSM-RVDMUPIBSA-N 370.430 3.455 10 40 FGCB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1ccc([N+](=O)[O-])cc1 5528418 CCJJAPATGWUTGH-UHFFFAOYSA-N 365.374 3.389 10 40 FGCB CCOc1ccc(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2SCCC3)cc1 2965965 MOXVFPNZOAESNM-FQEVSTJZSA-N 373.473 3.395 10 40 FGCB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3C[C@@H]3C)c2C)cc1 20833571 AZSHZANJQABXKG-SJCJKPOMSA-N 369.417 3.263 10 40 FGCB COc1ccccc1CNC(=O)NCc1ccc(N2CCSCC2)cc1 43001937 ZVPCVOSKXWWMHB-UHFFFAOYSA-N 371.506 3.248 10 40 FGCB Cc1ccccc1N1C(=O)/C(=C\c2nc3ccccc3[nH]2)C(=O)N=C1S 6813451 FXAHKRNIGGOJSW-BENRWUELSA-N 362.414 3.114 10 40 FGCB CCCN1C(=O)N/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O 409253448 UPUDLFPBSVAVJH-WQRHYEAKSA-N 353.422 3.405 10 40 FGCB CCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)SC1=S 9188408 RRKKTRLDGYMZSS-ZSOIEALJSA-N 353.465 3.324 10 40 FGCB CC1=NN(C(=O)c2ccccc2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1 104230891 OXFDNFJVBHIBOG-MJWGMMHASA-N 351.322 3.106 10 40 FGCB CCOC(=O)c1cnn2c(O)cc(CN3CCC[C@@H]3c3ccsc3)nc12 48249385 DXMMMZOQOXANDX-OAHLLOKOSA-N 372.450 3.010 10 40 FGCB COc1ccc(N2CCN(C(=O)COc3ccccc3Cl)CC2)cc1 3560012 BOJJJNWEKZJKFV-UHFFFAOYSA-N 360.841 3.076 10 40 FGCB COc1cc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)cc(OC)c1O 9188892 BBJDUTXMAZBLIV-PDICVPPASA-N 362.451 3.112 10 40 FGCB Cc1cc(Br)ccc1NS(=O)(=O)c1cccc2nonc12 14256602 DECQNWMFJIQJEX-UHFFFAOYSA-N 368.212 3.095 10 40 FGCB Cc1ccc2c(c1)[C@H](N1CCN(CCO)CC1)Cc1ccc(F)cc1S2 71404353 NGEOXZLKAAJWOG-LJQANCHMSA-N 372.509 3.492 10 40 FGCB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(N2CCOCC2)cc1 48276012 YHXWILHCNIBMNR-NBVRZTHBSA-N 371.506 3.416 10 40 FGCB Cc1cc(N2CCOCC2)ccc1CN1CCC(Cn2ccnc2C)CC1 19715752 MTWXCWFIZXINMU-UHFFFAOYSA-N 368.525 3.249 10 40 FGCB O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1cccnc1 4745224 HJDOWCJVRITJET-ZSOIEALJSA-N 373.434 3.061 10 40 FGCB CCCCc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 408547046 HQDITJRHRFLJBO-ATVHPVEESA-N 367.405 3.197 10 40 FGCB Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 4305519 FMDCADFKVBMBAD-MHWRWJLKSA-N 363.348 3.282 10 40 FGCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1sccc1C 13108924 VPJRKFLPOUBBEU-DHDCSXOGSA-N 354.431 3.324 10 40 FGCB C=CCOc1ccc(/C=C2\SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 33432282 VKTLTMMZTQGEEL-SRDPGZLCSA-N 358.463 3.331 10 40 FGCB CCN1C(=O)/C(=C\c2ccc(I)o2)SC1=S 5790778 SCVAFGWDLXPFBD-FNORWQNLSA-N 365.217 3.105 10 40 FGCB COc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccc3O)n2)cc1 67898802 YTLQCXXDOPUVRY-IBGZPJMESA-N 365.433 3.364 10 40 FGCB biogenic,in-vitro CCN1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C(=O)N(CC)C1=S 5455831 KTOUGXJNEAGWMT-UHFFFAOYSA-N 357.262 3.372 10 40 FGCB CCOc1ccc(/C=C2/SC(=S)N([C@H](CC)C(=O)O)C2=O)cc1 27530426 SNMPVKBQCAFOTE-AUWXEVLLSA-N 351.449 3.150 10 40 FGCB CC[C@@H](C)[C@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O 2100717 JLWPTBYEBSJQOY-DIFFPNOSSA-N 355.390 3.241 10 40 FGCB biogenic O=C(CNC(=O)C1CC1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 48678478 QJHVPEZBQIASSZ-QFIPXVFZSA-N 374.440 3.277 10 40 FGCB CCNC1=CC(C)=C(O)[C@@H]2C(=O)c3c(O)c(C)cc(NCC)c3C(=O)[C@H]12 100643762 INWFXCDEOOCMHA-UKRRQHHQSA-N 356.422 3.083 10 40 FGCB biogenic O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccccc1 2052898 XGFHBSUASAOKAQ-LHQXNBGVSA-N 369.218 3.467 10 40 FGCB COc1ccc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc1 3400582 VGUDSMZJKITMOY-UHFFFAOYSA-N 353.447 3.267 10 40 FGCB COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc(OC)c1O 409036254 BFMOYUZCILWOKF-QPEQYQDCSA-N 353.465 3.267 10 40 FGCB Cc1cc(C(=O)COc2ccc(-n3cnnn3)cc2)c(C)n1-c1ccccc1 5934941 HBWOKIFLUZIEEF-UHFFFAOYSA-N 373.416 3.332 10 40 FGCB CCN1C(=O)S/C(=C\c2cc(OC)c(N3CCCC3)cc2OC)C1=O 1135463 YEIMLTAAWPLOKB-YBEGLDIGSA-N 362.451 3.360 10 40 FGCB CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)O)cc1 3864955 ALLGVQKYHNEWOC-LJQANCHMSA-N 365.433 3.295 10 40 FGCB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1Cl 4914223 XDXRBXUIAGBKBT-UHFFFAOYSA-N 355.799 3.268 10 40 FGCB Cc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C(O)=NC2=S)c1 17145803 UWRHXMWUQJIUCZ-XYOKQWHBSA-N 357.347 3.168 10 40 FGCB Cn1cc(/C=C2/C(=O)N=C(S)N(c3ccccc3)C2=O)c2ccccc21 1307735 VUAWBBWLHKIWNB-WJDWOHSUSA-N 361.426 3.421 10 40 FGCB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 4192220 FVRNCVNABUFFEJ-GOSISDBHSA-N 368.412 3.158 10 40 FGCB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1cccc(O)c1 1303963 KBNXJGDVCKOKGZ-ZSOIEALJSA-N 374.418 3.078 10 40 FGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 1192605 LYEYBSVNDFVEIX-XNTDXEJSSA-N 356.765 3.015 10 40 FGCB COc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)cc1 1243369 IRGZLCWXCFXCLU-MHWRWJLKSA-N 354.337 3.337 10 40 FGCB CC/C(NCCC(C)C)=C1\C(=O)N(c2ccccc2)N=C1CC(=O)OC 19894232 UTVFALKKAVKFIB-KNTRCKAVSA-N 357.454 3.252 10 40 FGCB CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(Cl)c2)SC1=S 409005010 CTVGFAUURUOXJG-WDZFZDKYSA-N 357.840 3.025 10 40 FGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OC(C)C)C2=O)c1 408802889 IVPPJZAIVASBMQ-SFQUDFHCSA-N 364.401 3.449 10 40 FGCB Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1cccc2ccccc12 409001656 QBBSQPNSJBPSIB-PDGQHHTCSA-N 373.412 3.339 10 40 FGCB CN(C)c1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)NC2=O)cc1 6180477 ABMXCSNRCQOXLG-OQLLNIDSSA-N 370.796 3.232 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cc(-c4cccs4)on3)CC2)cc1 21149578 XONNCGREWNEUTA-UHFFFAOYSA-N 369.446 3.374 10 40 FGCB CC(C)N1C(=O)/C(=C/Nc2ccc(F)cc2)C(=O)N(Cc2ccco2)C1=O 5822985 UVDAFSZEISEISM-MHWRWJLKSA-N 371.368 3.114 10 40 FGCB O=C(O)Cc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 4193744 MWLGWJPCDPRJIM-ZSOIEALJSA-N 356.428 3.115 10 40 FGCB CC[C@H](C)N1C(=O)/C(=C\Nc2ccccc2C(=O)OC)SC1=S 101486386 HNBYLHWBJMSRBD-YWEFTTLKSA-N 350.465 3.385 10 40 FGCB CC(C)c1ccc(N2C(=O)/C(=C/NN3CCCCC3)C(O)=NC2=S)cc1 33930237 YTMFVBROUBYZAW-FOWTUZBSSA-N 372.494 3.272 10 40 FGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 1201795 UCNCSJNMHPQLIN-SFQUDFHCSA-N 350.374 3.060 10 40 FGCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1c1ccccc1F 84502021 UFFRDMMYUMAJRG-DLBZAZTESA-N 372.415 3.221 10 40 FGCB CC(=O)Nc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 27530358 DQYITZDVBZSHSZ-OQLLNIDSSA-N 355.444 3.446 10 40 FGCB O=C(O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S 5013964 UIHHFGAFGCMKOT-QPEQYQDCSA-N 363.391 3.372 10 40 FGCB O=C(O)COc1cccc(/C=C2\SC(Nc3ccccc3)=NC2=O)c1 6473711 DQJDEWBLXZKSGG-GDNBJRDFSA-N 354.387 3.232 10 40 FGCB Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccccc1O 9015577 CZTCCHNUZFLRPD-QGOAFFKASA-N 373.412 3.261 10 40 FGCB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1 27563061 XGQHQZQYPCJLAF-ZROIWOOFSA-N 365.476 3.238 10 40 FGCB CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1 408878424 AOJUQCWMIBFFEY-LGMDPLHJSA-N 364.401 3.314 10 40 FGCB N=C1Nc2nc3ccccc3n2[C@@H](c2cc(Br)ccc2O)N1 61172903 SOZKJKHCBXBUBB-ZDUSSCGKSA-N 358.199 3.001 10 40 FGCB Cc1cc(I)ccc1NC(=O)Cc1ccc(N)cc1 37029221 AYGFUYIXMAXEBL-UHFFFAOYSA-N 366.202 3.363 10 40 FGCB CN1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)S2)CC1 20358614 UQSODVILDZQXIR-GHRIWEEISA-N 353.447 3.164 10 40 FGCB COc1ccc(N(CC(=O)NC(N)=O)Cc2ccc(C(C)C)cc2)cc1 24246101 QGDDBNSKUNWMFV-UHFFFAOYSA-N 355.438 3.020 10 40 FGCB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(O)c1 4745477 DYLFUCODZDSPHN-GXDHUFHOSA-N 374.443 3.215 10 40 FGCB CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)n1 12606603 VGYGIQACUZDIHS-UHFFFAOYSA-N 372.538 3.473 10 40 FGCB COc1ccc(N2CCN(CC(=O)c3cc(C)n(C4CC4)c3C)CC2)cc1 36384649 DTEAQKBUZYTRNZ-UHFFFAOYSA-N 367.493 3.453 10 40 FGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(C)c3)C2=O)cc1 408986926 NVGVSVGDTJZKFH-ATVHPVEESA-N 364.401 3.232 10 40 FGCB CCN(CC)c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(O)c1 408770492 YBXRJYBBNDNUNF-UHFFFAOYSA-N 359.422 3.382 10 40 FGCB CC1=C(C(=O)O[C@@H](C)C(C)(C)C)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 715192 FRQCSLRBAMASTQ-SUMWQHHRSA-N 359.470 3.358 10 40 FGCB CN1CCc2cc([C@H](CNC(=O)c3cccc(F)c3)N3CCCC3)ccc21 8963290 IXNYQDVOJPOQGU-NRFANRHFSA-N 367.468 3.385 10 40 FGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Cl)s1 2783315 CBTFHPQKIMQSHK-YRNVUSSQSA-N 350.758 3.207 10 40 FGCB COC(=O)CCCCCN1C(=O)/C(=C\c2cccnc2)SC1=S 4834517 OUQHYKTVHXGRIR-JLHYYAGUSA-N 350.465 3.016 10 40 FGCB CC(C)Oc1ccccc1/C=C1\SC(=S)N(CCC(=O)O)C1=O 21548670 ZQIVMUSDEDBPKG-LCYFTJDESA-N 351.449 3.150 10 40 FGCB COCCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 409123694 HLPGGHOFEGVRAG-LFIBNONCSA-N 364.442 3.499 10 40 FGCB Cc1ccc(N2C(=O)/C(=C/c3cccn3C(C)(C)C)C(=O)NC2=S)cc1 100826063 WYUDOHCMUUVHLV-FOWTUZBSSA-N 367.474 3.383 10 40 FGCB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\SC(=O)NC2=O)c1C 408817307 NBKVVQPEDLHGBJ-CHHVJCJISA-N 373.390 3.335 10 40 FGCB COC(=O)C1=CN(c2cc(F)ccc2C)c2cc(F)ccc2S1(=O)=O 64979209 BWAOHAUZRQKGNF-UHFFFAOYSA-N 365.357 3.213 10 40 FGCB CCOC(=O)Cn1c(C)c(/C=C2\SC(=S)NC2=O)c2ccccc21 408816027 KGAQPOCPSZVJEI-ZSOIEALJSA-N 360.460 3.002 10 40 FGCB C[C@@H]1Cc2cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)ccc2O1 16810400 SLRHMOTXUQRWIT-OAKKFXRJSA-N 361.488 3.390 10 40 FGCB COc1cc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)cc(OC)c1O 35040721 LADFCWHBIFZHAM-XYOKQWHBSA-N 353.465 3.409 10 40 FGCB O=C1NC(=S)S/C1=C1\C(=O)N(Cc2ccccc2F)c2ccccc21 1065285 NOZCWDQAKKYYBI-PFONDFGASA-N 370.430 3.232 10 40 FGCB COc1cc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)cc(OC)c1O 9188893 BBJDUTXMAZBLIV-GPILYODUSA-N 362.451 3.112 10 40 FGCB O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1ccc(N2CCCC2)cc1 69897239 YQMHSVMXHCEVOE-OAQYLSRUSA-N 363.505 3.393 10 40 FGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(Cl)ccc2O)C1=O 408884348 YPJPLMJRFVBHQR-UVTDQMKNSA-N 370.792 3.274 10 40 FGCB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(N(C)C)cc3)C2)cc1OC 4138581 KFTUHNQLCKBIBU-IBGZPJMESA-N 367.449 3.467 10 40 FGCB COc1ccc(NC(C)=O)cc1N/C=C1\C(=O)N(c2ccccc2)N=C1C 102228543 SHDNBPXHRLWIQG-ATVHPVEESA-N 364.405 3.372 10 40 FGCB Nc1nn2c(C(F)(F)F)cc(O)nc2c1/N=N/c1ccc([N+](=O)[O-])cc1 3848972 CBNIBKQRIQNGMJ-FMQUCBEESA-N 367.247 3.360 10 40 FGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/Nc3ccc(F)cc3)C2=O)c1 17206293 XSAQFRAUNPJPLA-YBEGLDIGSA-N 353.353 3.021 10 40 FGCB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccn1 222728519 VHXNFZPWHRQXOH-RTBURBONSA-N 363.490 3.486 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3C)CC2)cc1 20110839 HMIMTCJXIVBIFC-GOSISDBHSA-N 368.477 3.428 10 40 FGCB COC(=O)c1c(NC(=O)CC2(C(=O)O)CCCCC2)sc2c1CCC2 13249703 OLTQKJFZYGDIDZ-UHFFFAOYSA-N 365.451 3.387 10 40 FGCB C[C@H]1Sc2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)cc2NC1=O 12544190 RDKDLEMYJPXJBU-CYBMUJFWSA-N 369.490 3.458 10 40 FGCB Oc1ccc2oc3c(c2c1CN1CCN(c2ncccn2)CC1)CCCC3 47272441 ZJCZNDYWNOEOOY-UHFFFAOYSA-N 364.449 3.129 10 40 FGCB CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1ccc(O)c(O)c1 9015689 COVNNLLUWAZWMS-GOSISDBHSA-N 365.389 3.278 10 40 FGCB COc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)c(-n2c(C)ccc2C)c1 408709050 WTNUDBNRCQSHOK-INIZCTEOSA-N 369.465 3.298 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)c([N+](=O)[O-])c1 96193264 JYJFMCGLDFHCHB-WJDWOHSUSA-N 350.378 3.467 10 40 FGCB CN1CCCc2cc(CNC(=O)N3CCO[C@H](c4ccccc4)C3)ccc21 57661949 FVQQEIGNDYIKCA-NRFANRHFSA-N 365.477 3.352 10 40 FGCB CCc1ccc(N2C[C@](O)(c3ccc(OC)cc3)[N+]3=C2SCCC3)cc1 22404988 NTGMODGVYOQNKR-NRFANRHFSA-N 369.510 3.428 10 40 FGCB O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccco1 409236277 GAPISNCEZKWPDF-XYOKQWHBSA-N 366.320 3.130 10 40 FGCB O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)NC1CC1 8748255 RCDMKBNHNBIHFT-MRXNPFEDSA-N 357.479 3.100 10 40 FGCB Cc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)o1 35648537 BUXTWARIGGNSKA-QTNMRXCUSA-N 373.455 3.485 10 40 FGCB CCNC1=CC(C)=C(O)[C@H]2C(=O)c3c(O)c(C)cc(NCC)c3C(=O)[C@H]12 68601201 INWFXCDEOOCMHA-HIFRSBDPSA-N 356.422 3.083 10 40 FGCB biogenic O=C(COc1ccccc1/C=C1\SC(=S)NC1=O)Nc1ccccc1 14903977 UCBQZFMSXFOZAS-GDNBJRDFSA-N 370.455 3.193 10 40 FGCB COc1ccc(-c2cnc(SCC(=O)NCc3ccco3)n2C)cc1 881688 CZBDJLSLMIFQCC-UHFFFAOYSA-N 357.435 3.097 10 40 FGCB O=C(N/C(=C/c1cccnc1)C(=O)N1CCc2ccccc21)c1ccco1 5369878 KDGQDKOMDOEQHE-GHRIWEEISA-N 359.385 3.035 10 40 FGCB Cc1cc(NS(=O)(=O)c2cccc3nonc23)ccc1Br 14256622 CTDDBQZEOIZGHO-UHFFFAOYSA-N 368.212 3.095 10 40 FGCB O=C(CCC1CCCC1)N1CCCN(c2ccc3c(c2)OCCO3)CC1 19346169 AMUGGKKLFVVFKA-UHFFFAOYSA-N 358.482 3.467 10 40 FGCB COc1ccccc1[C@]1(O)CCC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@@H]21 19569206 ULRGCDBKRHSJJE-SGXKBVARSA-N 369.461 3.226 10 40 FGCB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CCOCC2)cc1 19934508 YZZBUJDJKZCHKM-HXUWFJFHSA-N 372.440 3.136 10 40 FGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1c(F)cccc1Cl 408892136 GMCAKIFNZHZJFZ-JLHYYAGUSA-N 367.804 3.188 10 40 FGCB COCCN1C(=O)/C(=C/c2sccc2C)C(=O)N(c2ccccc2)C1=O 409012829 LFCNCCIQLAAQPC-QINSGFPZSA-N 370.430 3.082 10 40 FGCB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O 409146121 JQRJVQHFIUATPN-JASJWYONSA-N 364.442 3.497 10 40 FGCB COc1cccc([C@H]2CC(c3ccsc3)=NN2C(=O)CCC(=O)O)c1O 1554503212 OYESZCUWGDDXAF-CQSZACIVSA-N 374.418 3.005 10 40 FGCB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCCCC1 5370780 PSGPXNIHOCPSCB-CRWKAAGYSA-N 372.515 3.457 10 40 FGCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1C1=C[C@H]2OCO[C@@H]2C=C1 26771490 VVYBCQIQQGHBHW-VJHAYEMCSA-N 361.419 3.222 10 40 FGCB Cc1ccoc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F 46405458 FSJPMAHPWLBYCC-UHFFFAOYSA-N 368.355 3.373 10 40 FGCB COc1cc(/C=C2\SC(Nc3cccnc3)=NC2=O)cc(OC)c1OC 9233836 LYGKNIFAELMROB-DHDCSXOGSA-N 371.418 3.190 10 40 FGCB O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2c(c1)COC2 64489248 SKMROTZULNTRRG-UHFFFAOYSA-N 354.475 3.200 10 40 FGCB COc1cc([C@@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc(OC)c1OC 66091764 QBUGKSAZBYARBE-KRWDZBQOSA-N 370.405 3.116 10 40 FGCB O=C(O)Cc1ccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)cc1 27530461 TUMVMYLEAAHBJD-NTEUORMPSA-N 356.428 3.115 10 40 FGCB COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408873809 VYKHQSABUYGGON-UVTDQMKNSA-N 372.833 3.180 10 40 FGCB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccc(Oc2ccccc2)cc1 34926864 QJYADVFUVMKMOE-CQSZACIVSA-N 358.444 3.324 10 40 FGCB COc1cccc([C@H]2NC(=O)c3sc4nc(C)cc(C)c4c3N2)c1O 9549865 CSNVYLNARRPUNK-MRXNPFEDSA-N 355.419 3.481 10 40 FGCB O=C(O)c1cccc(N/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 618255038 NVGDONMBJMBXDY-JYRVWZFOSA-N 360.416 3.292 10 40 FGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 1233260 MYRKLVZIUAHQBN-NBVRZTHBSA-N 363.417 3.199 10 40 FGCB O=S(=O)(c1ccc(N2CC=C(c3cccnc3)CC2)cc1)C(F)F 95467575 UJXJATQIEPIOMH-UHFFFAOYSA-N 350.390 3.372 10 40 FGCB CCn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2cc(C)nn2C)c(C)n1 6490209 YFKKAMNYYLRMOC-PDGQHHTCSA-N 374.448 3.088 10 40 FGCB Cc1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)cc1Cl 4695850 IICFGVVPHVHDFC-UHFFFAOYSA-N 358.781 3.342 10 40 FGCB O=C1Nc2ccc(F)cc2/C1=C1/SC(=S)N(Cc2ccco2)C1=O 5552100 PWNAVTGOZFAWLD-SEYXRHQNSA-N 360.391 3.142 10 40 FGCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1C1=C[C@@H]2OCO[C@H]2C=C1 26771491 VVYBCQIQQGHBHW-SVKQYBJESA-N 361.419 3.222 10 40 FGCB CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 101113103 YDUQVCCWGCFDAO-XZOAIXRZSA-N 357.454 3.112 10 40 FGCB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=S)N=C3O)c2C)cc1 17207699 FHNSBZWBGKQUHS-YBEGLDIGSA-N 353.447 3.499 10 40 FGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(O)c(OC)c1 408892882 KOEMYJPVMBLGPX-DHDCSXOGSA-N 359.422 3.120 10 40 FGCB O=C1N=C(O)/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccco1 33634252 IZMLQGQBOKHTFV-SFQUDFHCSA-N 365.389 3.382 10 40 FGCB CN1CCc2cc([C@H](CNC(=O)Cc3cccs3)N3CCCC3)ccc21 8963276 FLKTWSHWJFXTGN-FQEVSTJZSA-N 369.534 3.236 10 40 FGCB Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3)C(=O)NC2=S)cc1Cl 101653089 GJXOIIZPNVGLRH-GXDHUFHOSA-N 371.849 3.392 10 40 FGCB CC[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1OC 33668693 AJJYGGPRIHJJLV-CPZHOGDASA-N 366.417 3.334 10 40 FGCB Cc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1C(=O)O 226858439 MKBQGBJAPXETNJ-UHFFFAOYSA-N 357.387 3.353 10 40 FGCB COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCO)c2c1 4428776 DNKBUJPNQWHIHC-UHFFFAOYSA-N 359.857 3.434 10 40 FGCB COc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(C)c3)nn2)cc1 216766266 FJRHMNBHNPKDIA-HXUWFJFHSA-N 350.422 3.179 10 40 FGCB CCc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 19933313 FEWBKLYICDPKSP-KRWDZBQOSA-N 368.477 3.374 10 40 FGCB CC(C)COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc12 59109616 KHOABZCNSQGFQX-UHFFFAOYSA-N 366.417 3.308 10 40 FGCB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NC(=O)NCCc1ccccc1 103646231 GUZXMFAWWDVJJY-RGEXLXHISA-N 362.433 3.143 10 40 FGCB COc1cc(/N=N\c2cccc(S(N)(=O)=O)c2)c2ccccc2c1N 100133503 SWMNSABUWYKPAU-MRCUWXFGSA-N 356.407 3.493 10 40 FGCB in-vitro O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)cc1 5346201 SQOHSHZDGWQCQO-RIYZIHGNSA-N 373.411 3.202 10 40 FGCB Cc1ccc(NS(=O)(=O)c2cccc3nonc23)c(Br)c1 14255871 HDARTOASJPSWHC-UHFFFAOYSA-N 368.212 3.095 10 40 FGCB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 408940768 VAYFJMDEIXNYBX-AQTBWJFISA-N 364.401 3.450 10 40 FGCB NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 143726192 FRZVWENMAQXFAK-SNUQEOBHSA-N 371.418 3.069 10 40 FGCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(O)c1 408891679 BAXRFANWQMYCFO-PDGQHHTCSA-N 365.385 3.278 10 40 FGCB Cc1ccc(N2NC(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1C 779677 WNMHJUTWXNPPLZ-MKMNVTDBSA-N 370.792 3.147 10 40 FGCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCC(=O)N2CCCC2)c1 25254003 FGUOXKWKIAXNLD-UHFFFAOYSA-N 373.884 3.490 10 40 FGCB O=C(O)CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2 4623612 JXLVSBCVKUJJGM-AVYPCKFXSA-N 363.417 3.113 10 40 FGCB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\SC(=O)NC2=O)c1C 408820533 YISXSSUKQWOKJM-NVNXTCNLSA-N 356.403 3.425 10 40 FGCB Cc1ccnc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)c1 33720648 UNAPGLCJPSWICP-UYRXBGFRSA-N 372.428 3.259 10 40 FGCB O=C1N=C(O)/C(=C\c2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)N1 4093955 SHCXUGBTGURVFB-UHFFFAOYSA-N 361.357 3.337 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C/[C@@H]1C(=O)N(c2ccccc2)N=C1C 13404300 QPAPQRFSPBUJAU-DYGKOUCMSA-N 358.401 3.374 10 40 FGCB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1cccc(Cl)c1 5552834 MOBOOYDCYAJISL-WQLSENKSSA-N 363.851 3.214 10 40 FGCB C[C@@H]1CCc2cc(F)ccc2N1C(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 12276975 ABARDPINZXVMIK-YULWEGQASA-N 357.425 3.458 10 40 FGCB Cc1c(CC(=O)NCCC2=CCCCC2)c(=O)oc2c(O)c(O)ccc12 5345520 STVMYSQNXNDPDI-UHFFFAOYSA-N 357.406 3.062 10 40 FGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(Cl)c3)C2=O)cc1 408865483 CSACEGNLLVGPMA-LFIBNONCSA-N 370.792 3.405 10 40 FGCB CCCOC(=O)c1cc(N)ccc1N1CCN(c2ccc(OC)cc2)CC1 225489761 QWOINTOVOUMZBS-UHFFFAOYSA-N 369.465 3.171 10 40 FGCB COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCCC2)c(OC)c1 1587298 SIIGPJRXGNGZQA-HXUWFJFHSA-N 357.406 3.323 10 40 FGCB CCCC[C@H](NCc1c(O)ccc2c3c(c(=O)oc12)CCCC3)C(=O)O 1891581 KKAFURCHZPIDAB-INIZCTEOSA-N 359.422 3.110 10 40 FGCB biogenic CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1O 101528397 BOKMHIQOMLFIPA-NTEUORMPSA-N 368.305 3.015 10 40 FGCB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\SC(=S)NC2=O)c1C 408993958 DWODAHVMJKRUBM-DHDCSXOGSA-N 372.471 3.370 10 40 FGCB Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1ccc(N(C)C)cc1 408754702 HAEOBCXHFZTOKH-UHFFFAOYSA-N 368.433 3.380 10 40 FGCB CC(=O)NC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1 97963970 CAONCLBWLWFOEZ-IWKHNONTSA-N 355.785 3.289 10 40 FGCB O=c1c(-c2ccc(F)cc2)coc2c(CN3CCCOC3)c(O)ccc12 32501400 KGDGSBANGUAWFW-UHFFFAOYSA-N 355.365 3.485 10 40 FGCB biogenic O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S 35648529 FAAGTJHTKMANHP-ODUNQGDFSA-N 359.428 3.177 10 40 FGCB CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)o1 6325599 QJHHWQCLLNMBPC-NTCAYCPXSA-N 367.405 3.101 10 40 FGCB CCC1=NN2C(=N)/C(=C/c3cccc(Br)c3)C(=O)N=C2S1 4508607 ZTVSPDSMTMFMEU-VKYSFVOOSA-N 363.240 3.478 10 40 FGCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc(O)c2)C1=O 408942553 ZHPIPMCVMHRWER-ZSOIEALJSA-N 356.765 3.020 10 40 FGCB COc1ccc(N2CCN(c3ccc(C(=O)OC(C)C)cc3N)CC2)cc1 225442888 AJKJTEWURKTDCD-UHFFFAOYSA-N 369.465 3.169 10 40 FGCB C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1cccc(N2CCOC2=O)c1 68721062 DFVQCEGUVGSZEJ-CQSZACIVSA-N 369.421 3.251 10 40 FGCB CCc1cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1OC 223752521 JVYABOCIRKOXKU-UHFFFAOYSA-N 362.495 3.144 10 40 FGCB Cc1ccc(C2=N/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)C(=O)O2)cc1 5330726 AUQKJGOLZXLXSR-XNTDXEJSSA-N 351.362 3.314 10 40 FGCB C[C@H]1CN(c2ccc(CNc3ncccc3[N+](=O)[O-])cc2F)C[C@H](C)O1 52457230 GXRVEVBVKCZNHF-STQMWFEESA-N 360.389 3.355 10 40 FGCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 6605429 SEUGZOYJYCNLLT-UHFFFAOYSA-N 360.461 3.452 10 40 FGCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1 4704621 ATCIFUIXEGKVAO-UHFFFAOYSA-N 361.697 3.098 10 40 FGCB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 409130268 MJGBCJFIBAQVDI-ZSOIEALJSA-N 360.460 3.035 10 40 FGCB CC1=CC(C)(C)N(C(C)C)c2ccc(C=C3C(=O)NC(=S)NC3=O)cc21 223481805 ZWWNNXMAEZDMQM-UHFFFAOYSA-N 369.490 3.011 10 40 FGCB Cc1cc(C(=O)N[C@@H](C)C(=O)N(C)C)c(C)n1-c1ccc(C(C)C)cc1 48324271 OGEPTDDGCVHQSL-HNNXBMFYSA-N 355.482 3.424 10 40 FGCB COc1ccc(NC(=S)NCCCN2CCc3ccccc32)c(OC)c1 225559196 FTDMWFQTHWBGDM-UHFFFAOYSA-N 371.506 3.443 10 40 FGCB CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(N)cc3)s2)CC1 20218622 LOSDBVXAMMSZHF-UHFFFAOYSA-N 361.467 3.293 10 40 FGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(OC)c1OC 6654843 MDMARSPGSSUXSE-VBKFSLOCSA-N 371.433 3.319 10 40 FGCB COc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 22418316 SNIORTDKQCBWOO-SFHVURJKSA-N 356.470 3.186 10 40 FGCB COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 5262165 QXRZFODWOROAPB-UHFFFAOYSA-N 364.405 3.478 10 40 FGCB CCN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)C(=O)N(CC)C1=S 980749 ZZGNPXCWOPLFAP-UHFFFAOYSA-N 354.431 3.326 10 40 FGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 6755053 YSNCRXVALUGBCS-WJDWOHSUSA-N 356.378 3.210 10 40 FGCB C[C@H](NC(=O)c1ccoc1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 48278435 LDAXYZCWZPPWJD-INIZCTEOSA-N 369.465 3.047 10 40 FGCB Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 113960856 CEDMAUOYDYIGKQ-SFHVURJKSA-N 368.477 3.224 10 40 FGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 408817038 ZNSYDBHQIYVASC-SFQUDFHCSA-N 364.401 3.369 10 40 FGCB CN1CCc2cc([C@@H](CNC(=O)c3cccs3)N3CCCC3)ccc21 8963311 DHCZAYDBOXGARA-GOSISDBHSA-N 355.507 3.307 10 40 FGCB CC(=O)N1CCN(c2ccc(OCCCOc3ccccc3)cc2)CC1 32741494 MHZPATLVNRVYIK-UHFFFAOYSA-N 354.450 3.203 10 40 FGCB CC(C)[C@@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 942422 YOCIUTZYUSFEOO-LJQANCHMSA-N 367.401 3.364 10 40 FGCB biogenic Cc1cc(C(=O)CN2CCOCC2)c(C)n1-c1ccc(F)c(Cl)c1 24252629 UPLLQACJHUJASA-UHFFFAOYSA-N 350.821 3.402 10 40 FGCB O=C(CCc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 54284703 NMCFTYWYYDOAQO-UHFFFAOYSA-N 358.869 3.426 10 40 FGCB CC(C)OC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CC[C@@H](C)C2 6250424 CJSWDGDCLYVYAQ-SNVBAGLBSA-N 353.440 3.241 10 40 FGCB COc1ccc([C@]2(O)[C@@H](C)N(c3ccccc3)C3=[N+]2CCCS3)c(F)c1 2921926 JKEFHHHDDIZNMW-JLTOFOAXSA-N 373.473 3.394 10 40 FGCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)NC2=S)cc1 2251892 AIDAOLPHOONJCJ-AQTBWJFISA-N 367.474 3.414 10 40 FGCB COc1ccc(C2=NN(C(=O)CN=[N+]=[N-])[C@@H](c3ccco3)C2)cc1OC 102575575 FUEYWRDTSZMZLC-CYBMUJFWSA-N 355.354 3.285 10 40 FGCB COc1ccccc1/C=C1/C(=O)N(Cc2ccc(F)cc2)C(=O)N=C1O 1296714 GPWIRYNJWOERIT-XNTDXEJSSA-N 354.337 3.337 10 40 FGCB CCOc1cc(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OCC 107591888 IQROREJVGOXBCX-ATVHPVEESA-N 366.417 3.254 10 40 FGCB COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 408871614 HUDDNXNHWQJKGA-CXUHLZMHSA-N 370.792 3.323 10 40 FGCB COc1ccc(/C=C2\C(=O)N(c3ccccc3OC)C(=O)N=C2O)cc1 17027709 VHADPGFRAUJGCM-KAMYIIQDSA-N 352.346 3.211 10 40 FGCB COc1cccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)c1O 9805825 QIOSEMPFZPPBFZ-UHFFFAOYSA-N 354.366 3.322 10 40 FGCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1 225839738 ZWOHABJTUSWQJD-HNNXBMFYSA-N 356.495 3.274 10 40 FGCB O=C1N=C(O)/C(=C\c2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C(=O)N1 4854409 JGFJRCLVHKIQML-UHFFFAOYSA-N 361.697 3.098 10 40 FGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 2428347 VQTCTJBYHCJMGX-CKNOQMABSA-N 374.487 3.489 10 40 FGCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1O 59435682 YFBRYIYOPWQGQF-JXAWBTAJSA-N 363.413 3.308 10 40 FGCB CCOc1cccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O 5045757 POKKKCMFBUUUDQ-MRXNPFEDSA-N 360.498 3.261 10 40 FGCB Cc1cc(C(=O)NCC[C@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCCO2 84080261 NOBNCHHHRHPKNR-QGZVFWFLSA-N 370.449 3.164 10 40 FGCB Cc1ccc(N2C(=O)/C(=C\c3ccn(C)c3)SC2=S)cc1C(=O)O 5374027 ROEQWOCKDRQQHL-VGOFMYFVSA-N 358.444 3.438 10 40 FGCB CC1CCN(C(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 4745509 NQIMCSXIXWVJDT-SDNWHVSQSA-N 364.492 3.129 10 40 FGCB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc[nH]c3=O)c2C)cc1 8687960 OGSKLKHKVYRIHJ-UHFFFAOYSA-N 364.401 3.131 10 40 FGCB O=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2o1 170552777 FXUDYDRDFJRGCR-UHFFFAOYSA-N 373.415 3.045 10 40 FGCB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(O)cc3)cc2)SC1=S 5374798 GBPWUFIIKOQZPK-XNTDXEJSSA-N 370.455 3.476 10 40 FGCB Nc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1/N=N/c1ccc2c(c1)OCO2 101508574 MBZAHYHAIOBKON-GHVJWSGMSA-N 374.360 3.416 10 40 FGCB CN(C)CCNCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 27435449 NTEFHWSDYCVUDW-UHFFFAOYSA-N 367.453 3.249 10 40 FGCB COc1cc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)ccc1OC(C)C 4180379 NLESZASVXWJCMQ-GZTJUZNOSA-N 366.417 3.252 10 40 FGCB CCCCCC[C@H](C)N/C=C1/C(=O)NC(=O)N(c2cccc(F)c2)C1=O 5865407 PFPPIYJPJKWPHV-WIOAZZGGSA-N 361.417 3.241 10 40 FGCB CN(C)c1ccc(CNC(=O)CCCc2nnc(-c3ccccc3)o2)cc1 33220926 BDOBHNGOTIFZDJ-UHFFFAOYSA-N 364.449 3.442 10 40 FGCB Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(N(C)C)cc3)c12 12592291 KVKYIBJZPQEAFE-UHFFFAOYSA-N 350.422 3.405 10 40 FGCB Cc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc(C)c1OC(F)F 96891461 DQUSIGPYTLZEIP-UKTHLTGXSA-N 368.405 3.207 10 40 FGCB CC1=NN(c2ccccc2)C(=O)[C@H]1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16607867 SWUNBHFXWVDCPI-HNNXBMFYSA-N 372.362 3.386 10 40 FGCB O=C(C[C@@H]1SC(=S)N(Cc2ccccc2)C1=O)NC1CCCCC1 9189404 GRQAUMDSGPPCSW-HNNXBMFYSA-N 362.520 3.255 10 40 FGCB COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c(OC)c1 9087694 CSHOXPAZXUQLHP-UKTHLTGXSA-N 370.336 3.350 10 40 FGCB CN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 1101036 QECZPCSXINXMEZ-JXMROGBWSA-N 365.172 3.345 10 40 FGCB CN(c1ccccc1)N1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S 1769653 CYRQQAQIBXCSSP-CCEZHUSRSA-N 367.455 3.262 10 40 FGCB CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)C2=O 100931737 UFGLTFJWIVUUGH-ZBEGNZNMSA-N 355.312 3.098 10 40 FGCB COc1ccc(N(CCC(N)=O)Cc2ccc(F)c3cccnc23)cc1 24680153 HVBKGYBACWJBJT-UHFFFAOYSA-N 353.397 3.265 10 40 FGCB CN(C(=O)c1ccccc1)c1cccc2c1C(=O)c1cccc(N)c1C2=O 4522784 ZIZLRUOKRNLTOW-UHFFFAOYSA-N 356.381 3.321 10 40 FGCB CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)C(=N)N21 4916954 JFZCMFFJQKRQLF-SPHOJFBGSA-N 374.447 3.134 10 40 FGCB Cc1ccc(O)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CCC(=O)O)c1 80316260 XKYABLFCULTFLX-QGZVFWFLSA-N 370.380 3.382 10 40 FGCB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 4193740 DQYITZDVBZSHSZ-DHDCSXOGSA-N 355.444 3.446 10 40 FGCB CN1C(=O)/C(=C2\SC(=S)N(c3cccc(O)c3)C2=O)c2ccccc21 1297989 DPEUPKXMCYSNGL-PFONDFGASA-N 368.439 3.145 10 40 FGCB COc1ccccc1CC(=O)NCc1ccc(N2CCSCC2)cc1 48368405 BMWYTRZOVCCBED-UHFFFAOYSA-N 356.491 3.107 10 40 FGCB CCOC(=O)Cn1cc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc21 409129216 FTASSEHDXAFCNB-DHDCSXOGSA-N 374.487 3.426 10 40 FGCB COc1ccc(N(C)CCNC(=S)Nc2c(F)cccc2F)cc1 225798474 MUTUSEVSRVEMFR-UHFFFAOYSA-N 351.422 3.396 10 40 FGCB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccc2O)NC(=S)N1 655249 NWGXOSGTWQJAQK-KRWDZBQOSA-N 353.447 3.132 10 40 FGCB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C1=O 409136663 SOXICONYLFQJRH-RVDMUPIBSA-N 357.435 3.172 10 40 FGCB Cc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCOCC2)cc1 225839708 KDJLSOBCTWYUMN-HNNXBMFYSA-N 356.495 3.274 10 40 FGCB O=C(O)CCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 5351136 VHIDFALVVYHCIO-ZROIWOOFSA-N 361.444 3.071 10 40 FGCB COc1ccc2nc3cc(Cl)ccc3c(NCCNC[C@@H](C)O)c2c1 6491831 KXRXLSMGAGUFJA-GFCCVEGCSA-N 359.857 3.432 10 40 FGCB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2sccc2C)C1=O 409242600 OXVGNYJIUAEJMY-ZRDIBKRKSA-N 356.403 3.122 10 40 FGCB O=C1Nc2ccccc2/C1=C1\SC(=S)N(Cc2ccccc2)C1=O 12562301 ACVNKYWKVROQFJ-CCEZHUSRSA-N 352.440 3.410 10 40 FGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(O)cc1 13536784 CKFWFLPFGHSSGI-NBVRZTHBSA-N 365.458 3.185 10 40 FGCB CC1CCN(C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)CC1 5370674 MDTARZZINCZAAG-RVDMUPIBSA-N 360.504 3.146 10 40 FGCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(C)o3)C2=O)nc1C 4289879 QDGUHSQXJVQXBD-MDWZMJQESA-N 359.407 3.336 10 40 FGCB COc1ccc(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2SCCC3)cc1 22405111 UUBKUEWXQFTDBY-IBGZPJMESA-N 359.446 3.005 10 40 FGCB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 225853378 CDUQOYWFUZFSCH-ZDUSSCGKSA-N 363.483 3.321 10 40 FGCB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCCCN=[N+]=[N-])cc1)C(=O)O 1542984437 WDWRUZZOMPETLC-AWEZNQCLSA-N 364.402 3.286 10 40 FGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 34772759 MDIJJHPJRWQYGV-ATVHPVEESA-N 363.369 3.262 10 40 FGCB Cc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cccc(F)c1 33368918 TYHFTPJSCDJVIU-ZFWHUMDSSA-N 367.409 3.482 10 40 FGCB CN1CCCc2cc([C@H](CNC(=O)c3ccco3)N3CCCC3)ccc21 13008240 OVBFDMAJXNRKBI-IBGZPJMESA-N 353.466 3.229 10 40 FGCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)c1 6471447 ZQLBKXIRDYFAKK-UHFFFAOYSA-N 364.492 3.143 10 40 FGCB COC(=O)C1=CN(c2ccc(F)cc2C)c2ccc(F)cc2S1(=O)=O 64979251 OKXLMXRJTKQAPZ-UHFFFAOYSA-N 365.357 3.213 10 40 FGCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(C(=O)O)cc1 35043212 TUENEEVIKGZPNL-NTEUORMPSA-N 368.370 3.165 10 40 FGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C(=O)NC1=S 409392566 QVSIJUZTUOJQIW-LFIBNONCSA-N 367.474 3.049 10 40 FGCB Cc1noc(N)c1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2F)c1C 16326704 CFISIUCJAJOZEL-UHFFFAOYSA-N 371.368 3.152 10 40 FGCB O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc([N+](=O)[O-])cc1 48375178 GBWRNHLXYLXSGB-UHFFFAOYSA-N 357.435 3.078 10 40 FGCB CCOC(=O)COc1ccccc1/C=C1/C(=O)N(c2ccccc2)N=C1C 408904865 PSFFTLNLHDGAEK-QGOAFFKASA-N 364.401 3.435 10 40 FGCB COc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC 10113502 XSZMVIJLWWCTFB-UHFFFAOYSA-N 354.450 3.163 10 40 FGCB Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(C(=O)C3CC3)CC2)c1C 12608547 OAVCVVPXUCVJCQ-UHFFFAOYSA-N 365.477 3.097 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O[C@H](C)C(=O)O)cc1 14011449 AKNPESZCSZHCQJ-IIMQCXAKSA-N 350.374 3.345 10 40 FGCB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1C 409236958 INDNXJDEIZZMMT-UKTHLTGXSA-N 373.865 3.127 10 40 FGCB Cc1cccc(N2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)c1 12542968 MZWQAUOMIFJQOD-UHFFFAOYSA-N 352.482 3.093 10 40 FGCB Cc1cc(C)cc(Cc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)c1 408878475 BCIHKDUEZHOJEN-UHFFFAOYSA-N 368.820 3.297 10 40 FGCB COc1ccc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])c1 33645608 IQJIHRDZCWCNCV-UHFFFAOYSA-N 369.421 3.183 10 40 FGCB CC(C)c1ccc(N2C(=O)N=C(O)/C(=C\NN3CCCCC3)C2=O)cc1 34236402 ZPGGTGJDLTUZBA-FOWTUZBSSA-N 356.426 3.108 10 40 FGCB CC(=O)Nc1ccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 8565911 SJOBWOWIMJRRAO-XNTDXEJSSA-N 357.460 3.389 10 40 FGCB O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc(F)cc1 8379474 DCNDCZBCNDKNSU-XYOKQWHBSA-N 364.448 3.433 10 40 FGCB Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=C1\SC(=S)NC1=O 12407192 KLSHDIDBVFYBJI-USPJWIJHSA-N 358.488 3.486 10 40 FGCB COc1ccc(/C=C2/SC(Nc3ccccc3O)=NC2=O)cc1OC 35638361 PTYWZYFAINAPGZ-MHWRWJLKSA-N 356.403 3.492 10 40 FGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1C(=O)O 408995252 BDLMURWKUFLJSZ-ATVHPVEESA-N 363.369 3.262 10 40 FGCB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(CC(=O)O)C1=O 409350673 YSIGFMZNGFNFAO-GARZTLJTSA-N 351.449 3.150 10 40 FGCB CCCCN1C(=O)/C(=C\c2cccc(OCC)c2O)C(C(=O)OC)=C1C 2648457 AILVPFVXVYWYIM-QINSGFPZSA-N 359.422 3.264 10 40 FGCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375045 NJVQXPNCQGFUDC-CNPFRCOSSA-N 363.460 3.200 10 40 FGCB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1N1CCCC1 2374228 KBJSLBDPGKOJJD-CPNJWEJPSA-N 361.470 3.366 10 40 FGCB COc1ccc(NC(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1 1421215 DSSZJSDNRRYQAF-UHFFFAOYSA-N 357.479 3.223 10 40 FGCB COc1ccc(N2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1 57315532 QYWMKZBLKIQCAT-UHFFFAOYSA-N 368.412 3.207 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 101537608 HGJNOOBJEGXXKX-VGOFMYFVSA-N 351.318 3.130 10 40 FGCB O=S(=O)(Nc1ccccc1N1CCCCC1)c1cccc2nsnc12 19077498 UJCIRHKBQHNRSC-UHFFFAOYSA-N 374.491 3.482 10 40 FGCB CCc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 408751633 ATGHSQSVZOWJCL-UHFFFAOYSA-N 365.433 3.090 10 40 FGCB CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408816672 RZDQZLAPKZZKSC-FOWTUZBSSA-N 350.374 3.140 10 40 FGCB Cc1noc(C)c1CCC(=O)NCc1ccc(N2CCSCC2)cc1 54035729 XEEXPPGMGFIFIM-UHFFFAOYSA-N 359.495 3.094 10 40 FGCB COc1ccccc1N[C@H]1SC(=O)N(Cc2cccc(C(=O)O)c2)C1=O 1018902 CVIBETWEMRNULU-HNNXBMFYSA-N 372.402 3.027 10 40 FGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1 15974497 JQGOEDPJLNBKQF-YBEGLDIGSA-N 361.405 3.192 10 40 FGCB COC(=O)C1=CN(c2ccc(Cl)cc2)c2ccc(F)cc2S1(=O)=O 64979246 LTCDBCOSPIYMOC-UHFFFAOYSA-N 367.785 3.419 10 40 FGCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccccc1C(=O)O 409002206 ZAPGVKIHTXEPCX-ZSOIEALJSA-N 358.444 3.281 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OC(C)C)C2=O)cc1 408799770 KXGWYUSDXSOYLJ-SFQUDFHCSA-N 364.401 3.449 10 40 FGCB Cn1cccc1/C=C1/SC(=S)N(c2ccc(CC(=O)O)cc2)C1=O 4291554 IBHAJDOULMFEBJ-GXDHUFHOSA-N 358.444 3.058 10 40 FGCB CN1CCN(C2=NC(=O)/C(=C/c3c(Cl)cccc3Cl)S2)CC1 20130967 OYTKANKARLNNLC-LCYFTJDESA-N 356.278 3.211 10 40 FGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(OC)c1 59435757 LOPOQBLCPGFFNZ-BOPFTXTBSA-N 353.374 3.161 10 40 FGCB Cc1cccc(NC(=O)CSCC(=O)NCc2ccc(N(C)C)cc2)c1 8171751 UAOPUZWVQLDSTB-UHFFFAOYSA-N 371.506 3.049 10 40 FGCB CC(/C=C1/C(=O)NC(=S)N(c2ccc(F)cc2)C1=O)=C\c1ccco1 408917611 YIXHQLUEOIONIQ-ZLPZIFTNSA-N 356.378 3.196 10 40 FGCB COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)c1 409243790 UHOSGFACLCMZBE-LFIBNONCSA-N 366.442 3.143 10 40 FGCB O=C(CSc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 53323972 RJTULEANVFNZEN-UHFFFAOYSA-N 360.454 3.071 10 40 FGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(C(N)=O)cc1 10962572 OUCRJSZEIVJZFZ-UHFFFAOYSA-N 351.450 3.048 10 40 FGCB O=C1/C(=C\c2ccco2)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 408719368 LUTNTWCPENCAOW-XYOKQWHBSA-N 360.372 3.229 10 40 FGCB CN(C)c1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 408930829 COWBCGWDIWEWNN-BOPFTXTBSA-N 355.825 3.499 10 40 FGCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(O)cc1 408893798 NFCNZEYPBFMNJI-RGEXLXHISA-N 363.413 3.308 10 40 FGCB COc1ccccc1/C=C1/C(=O)N(CCc2ccc(F)cc2)C(=O)N=C1O 17028326 CBCFFGHGRHHVDE-FOWTUZBSSA-N 368.364 3.379 10 40 FGCB COc1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)C(O)=NC2=S)cc1 38180991 BHRMMFLIPGCPOU-GDNBJRDFSA-N 354.387 3.072 10 40 FGCB Cc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 225839781 ZUUPEWHYJWSCGH-HNNXBMFYSA-N 356.495 3.274 10 40 FGCB O=C(Cc1ccc(Cl)cc1Cl)NCc1cc([N+](=O)[O-])ccc1O 34878926 USKCDOPEEJYECE-UHFFFAOYSA-N 355.177 3.466 10 40 FGCB COc1ccc([C@@H](NC(C)=O)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1 4684852 GISQJPACQMPEBB-QGZVFWFLSA-N 367.361 3.083 10 40 FGCB COc1cc(N2N=C(C)/C(=C\Nc3c(C)nn(C)c3C)C2=O)ccc1Cl 408755209 BXUARDDAUDOWJD-NTEUORMPSA-N 373.844 3.417 10 40 FGCB Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc(C)c1OC(F)F 96663511 NAXXXEPGQMROQX-BJMVGYQFSA-N 373.402 3.191 10 40 FGCB COc1ccccc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 32937679 PKRAIFZLLKLJJQ-SFHVURJKSA-N 370.449 3.292 10 40 FGCB C[C@H]1Cc2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)ccc2O1 2200401 ZLALLAXUWUMLAU-RSYJBZMQSA-N 363.460 3.076 10 40 FGCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1C[C@@H](C)O[C@H](C)C1 2335100 PDVDKYKAPIWARY-JGVSKNIDSA-N 360.414 3.461 10 40 FGCB COc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 6843251 HOLLSBZKJGULFQ-RVDMUPIBSA-N 370.455 3.241 10 40 FGCB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc2O1 223660168 DLGGBIXKLSJBGS-UHFFFAOYSA-N 361.419 3.320 10 40 FGCB CC(C)[C@H](NCc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C(=O)O 942421 YOCIUTZYUSFEOO-IBGZPJMESA-N 367.401 3.364 10 40 FGCB biogenic O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1 2451190 KDANHJFWMBKORO-GDNBJRDFSA-N 370.455 3.232 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O[C@@H](C)C(=O)O)cc1 14011452 AKNPESZCSZHCQJ-HIXWQLQUSA-N 350.374 3.345 10 40 FGCB CSc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408785038 XEUUVBILOKAFST-LFIBNONCSA-N 352.415 3.383 10 40 FGCB O=C(Nc1ccccc1)c1cnn2c(O)cc(Cc3ccccc3F)nc12 19372996 ZGVRXKMSIWBHCA-UHFFFAOYSA-N 362.364 3.417 10 40 FGCB O=C1N=C(O)/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 59106203 BAFNHVPHWRIXQV-NTEUORMPSA-N 355.281 3.241 10 40 FGCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCCOCC 103917718 VMAFDYVMTFBXDF-CYVLTUHYSA-N 359.470 3.488 10 40 FGCB Cc1sc(NS(=O)(=O)c2ccc3ccccc3c2)c(C(N)=O)c1C 27931568 DHQRHKWNLLZFLK-UHFFFAOYSA-N 360.460 3.418 10 40 FGCB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3sccc3C)C2=O)cc1 409002147 YHWRRVIWGHGIEF-GXDHUFHOSA-N 356.403 3.122 10 40 FGCB COC(=O)CN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 4482785 QBUGHBURVRXDGU-BJMVGYQFSA-N 362.259 3.368 10 40 FGCB CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(C)cc3)S2)C1 4550373 DBLRSAGQHQXUCY-CNYBTUBUSA-N 358.463 3.240 10 40 FGCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(CC(=O)O)cc3)S2)cc1 5810768 VVKJMYJWFAFEKI-YBEGLDIGSA-N 368.414 3.405 10 40 FGCB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccccc1C(=O)O 5530525 DHWGTJRXFFWLQH-OQLLNIDSSA-N 356.403 3.458 10 40 FGCB O=C(O)Cc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 4193737 PMNYDYSJMOODLG-UVTDQMKNSA-N 356.428 3.115 10 40 FGCB O=C1/C(=C\c2ccccn2)SC(=S)N1Cc1ccc2c(c1)OCO2 12960403 RBZLSUWKEYFWNO-OVCLIPMQSA-N 356.428 3.212 10 40 FGCB CC[C@@H](C)Oc1ccccc1C=C1C(=O)N(CC)C(=S)N(CC)C1=O 408600699 DZJCSBCBVUSMPI-CYBMUJFWSA-N 360.479 3.243 10 40 FGCB CCOC(=O)c1ccc(-n2c(C)cc([C@H]3NC[C@@H](C(=O)O)S3)c2C)cc1 408980397 WHHIQDUYCYGVDC-IRXDYDNUSA-N 374.462 3.059 10 40 FGCB Cc1ccc(-n2c(C)cc(C(=O)Cn3nnc4ccccc4c3=O)c2C)cc1 3617821 QMNGQIUKBGHVPQ-UHFFFAOYSA-N 372.428 3.390 10 40 FGCB Cc1ccccc1N1C[C@](O)(c2ccc([N+](=O)[O-])cc2)[N+]2=C1SCCC2 22405513 FZTNXJLJNFJTLW-IBGZPJMESA-N 370.454 3.074 10 40 FGCB C[C@H]1Cc2cc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)ccc2O1 13541031 SLRHMOTXUQRWIT-MBJKZJFESA-N 361.488 3.390 10 40 FGCB CCCCCCc1c(C)c2ccc(O)c(CN[C@H](C)C(=O)O)c2oc1=O 16031070 WQBHXMNVRLHENQ-CYBMUJFWSA-N 361.438 3.493 10 40 FGCB biogenic COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/C(=O)NN=C2C)cc1 5157307 SEMBOAGLCYLNDM-XDHOZWIPSA-N 358.401 3.437 10 40 FGCB CCOc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2SCCC3)cc1 2965972 BIUHXHVHWYWBSV-FQEVSTJZSA-N 355.483 3.256 10 40 FGCB CCCN1C(=O)/C(=C\c2ccc(O)cc2)C(=O)N(c2ccccc2)C1=S 409014738 IWOAPGZXGBMDIO-GHRIWEEISA-N 366.442 3.346 10 40 FGCB N=C1Nc2nc3ccccc3n2[C@H](c2cc(Br)ccc2O)N1 72751668 SOZKJKHCBXBUBB-CYBMUJFWSA-N 358.199 3.001 10 40 FGCB CC(C)COCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 55531157 RZBZGSUXXHRPLZ-HZPDHXFCSA-N 366.477 3.118 10 40 FGCB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1O 2451194 WVEMCOIEMCYYKA-GDNBJRDFSA-N 370.455 3.232 10 40 FGCB Cc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)c(C)n1-c1ccc2c(c1)OCCO2 27900596 QAKIEWCOQPMSTG-RDTXWAMCSA-N 370.449 3.163 10 40 FGCB COc1cccc([C@@H]2CC(c3ccccc3)=NC3(CCN(C)CC3)N2)c1O 65298165 ZNVAJWGMPSAYTQ-IBGZPJMESA-N 365.477 3.346 10 40 FGCB COc1cc(/N=N/c2cccc(S(N)(=O)=O)c2)c2ccccc2c1N 18038389 SWMNSABUWYKPAU-QZQOTICOSA-N 356.407 3.493 10 40 FGCB in-vitro COc1ccccc1/C=C1/SC(=S)N(C(=O)c2ccccn2)C1=O 6182545 SQWXYRRKUDNNNE-GXDHUFHOSA-N 356.428 3.132 10 40 FGCB NS(=O)(=O)c1ccc(/N=N/c2cc3ccccc3c(C(=O)O)c2O)cc1 3954398 ROSNSSVBDFGLGW-FMQUCBEESA-N 371.374 3.306 10 40 FGCB in-vitro O=C1c2ccccc2C(=O)C1CCOCCC1C(=O)c2ccccc2C1=O 100644351 DNXPJKJJGVFJLS-UHFFFAOYSA-N 362.381 3.174 10 40 FGCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC[C@@H]1CCCO1 103918081 KIKJLVHJPARMHV-CQUHBBLWSA-N 372.425 3.140 10 40 FGCB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)c1 4704519 AAVDBLWESGINDL-LDADJPATSA-N 364.401 3.485 10 40 FGCB Cc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1C 4703276 KOFNOGLVXVUDGT-UHFFFAOYSA-N 365.433 3.145 10 40 FGCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc([N+](=O)[O-])s2)C1=O 8971996 BLJDWDQURUQETG-FLIBITNWSA-N 357.347 3.471 10 40 FGCB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 408810656 JJTBKSNGIIZVHX-GHRIWEEISA-N 364.401 3.450 10 40 FGCB CN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 1202602 CKRGQCVSRAIKTA-YRNVUSSQSA-N 365.172 3.345 10 40 FGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(C)C)cc2)C1=O 6479420 LPIXLVNWAALHHH-SFQUDFHCSA-N 364.401 3.449 10 40 FGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccccc1O 12378259 IMCUZYUBEBSAKF-NBVRZTHBSA-N 365.458 3.185 10 40 FGCB O=C(CSc1nnc(NCc2ccco2)s1)c1ccc(O)c(O)c1 14134790 QGJMHDXVTKZGEB-UHFFFAOYSA-N 363.420 3.129 10 40 FGCB CC(C)OC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCC2 5727292 DMFBRLQAGUGLKY-UHFFFAOYSA-N 353.440 3.386 10 40 FGCB CCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Cl 409091211 ROIQFLQPVUGZPB-IZZDOVSWSA-N 359.234 3.499 10 40 FGCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 409410096 YVADJXIDFGBAFH-VMOJBDSFSA-N 366.417 3.334 10 40 FGCB C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2F)C[C@@H](C)O1 107337114 XKGFLLVIODYYOZ-OSBBLCOHSA-N 360.473 3.492 10 40 FGCB COc1ccc(N2CCN(C(=O)c3cc(Cl)c4c(c3)OCO4)CC2)cc1 7284180 JGJXVBXRDBRLTH-UHFFFAOYSA-N 374.824 3.040 10 40 FGCB COc1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)c([N+](=O)[O-])c1 100316596 QDYSIDDPNHOQJT-PTNGSMBKSA-N 352.350 3.322 10 40 FGCB CCOc1cccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 54179651 TXTSNJREUSLNER-IBGZPJMESA-N 367.493 3.077 10 40 FGCB CN1CCc2cc([C@H](CNC(=O)c3cccs3)N3CCCC3)ccc21 8963312 DHCZAYDBOXGARA-SFHVURJKSA-N 355.507 3.307 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3C)CC2)cc1 7382383 GNHWSZROJWHYEA-SFHVURJKSA-N 368.477 3.428 10 40 FGCB O=C(COc1ccccc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4151784 VNNVCSZUULILJQ-UHFFFAOYSA-N 357.365 3.480 10 40 FGCB CCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)NC1=S 409391045 HEZODOSWQXDWEA-FOWTUZBSSA-N 368.483 3.484 10 40 FGCB Cc1ccc(N(C)CCNC(=S)Nc2ccc(C(=O)N(C)C)cc2)cc1 225796808 FIIZQSODJSQKQS-UHFFFAOYSA-N 370.522 3.120 10 40 FGCB O=C(Nc1ccc(-c2nc3ccncc3[nH]2)cc1)C1=S=CC(Cl)=C1 1586224834 UTVMFOSFBZBEEF-UHFFFAOYSA-N 354.822 3.408 10 40 FGCB Cc1ccccc1CSCC(=O)NCc1ccc(N2CCOCC2)cc1 13649490 MXBDTDOWPWWQTJ-UHFFFAOYSA-N 370.518 3.381 10 40 FGCB COc1cc2c(cc1NCC(=O)N1CCO[C@@H](C)C1)oc1ccccc12 46487406 ZJPSWFMLSHLRQU-ZDUSSCGKSA-N 354.406 3.254 10 40 FGCB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 408819049 XWICFGSQMRFDPD-SFQUDFHCSA-N 350.374 3.060 10 40 FGCB COC(=O)c1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 1112443 JPSMNJHLFQDYGH-NTEUORMPSA-N 359.428 3.468 10 40 FGCB O=C(NCc1ccc(N2CCOCC2)cc1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 68404712 MQCIJFHOKPKEKH-FUUYNRHESA-N 369.509 3.243 10 40 FGCB O=C1c2ccccc2N[C@@H](c2cc(O)c(O)c(Cl)c2)N1C[C@@H]1CCCO1 8720420 UYBIEFJWCNLVDH-KPZWWZAWSA-N 374.824 3.497 10 40 FGCB O=C(NN1C(=O)/C(=C/c2ccc[nH]2)SC1=S)c1ccccc1Cl 5552832 XKXYBIMEHLHESH-WQLSENKSSA-N 363.851 3.214 10 40 FGCB COC(=O)C1=CN(c2cccc(C)c2C)c2ccc(F)cc2S1(=O)=O 64979223 CPTDYZQOEINMJM-UHFFFAOYSA-N 361.394 3.382 10 40 FGCB CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn2c(C)cc(C)nc12 40069158 BIGVJHXNHYIZLH-UHFFFAOYSA-N 351.454 3.074 10 40 FGCB O=C1N=C(O)/C(=C/c2nc3ccccc3[nH]2)C(=O)N1CCc1ccccc1 8995273 HIXAWXYJYIDAFO-OWBHPGMISA-N 360.373 3.108 10 40 FGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(SC)cc1 409002905 XGJVICFVIXPCDR-VBKFSLOCSA-N 361.463 3.118 10 40 FGCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC[C@H]1CCCO1 100422821 DQUROWCUXLPWQU-YYTPVVGHSA-N 356.451 3.061 10 40 FGCB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(O)c1 1082607 RJWMWQDAOOWORM-RGEXLXHISA-N 363.413 3.308 10 40 FGCB O=C(NCC(F)(F)F)C1CCN(Cc2c(O)ccc3ccccc23)CC1 26688968 FQCPVOLCVCRFLU-UHFFFAOYSA-N 366.383 3.436 10 40 FGCB Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1C 2643504 FRZGWCXZZCVODI-UHFFFAOYSA-N 364.492 3.143 10 40 FGCB CCn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 409207783 ZWXHVBDDSVQYDK-WJDWOHSUSA-N 351.406 3.066 10 40 FGCB Cc1ccc(-n2[nH]c3c4c(ccc3c2=O)C(=O)c2ccccc2C4=O)cc1 100078632 UPAJQSRUVLSGIP-UHFFFAOYSA-N 354.365 3.403 10 40 FGCB Cc1[nH]nc(O)c1C(c1c(O)n[nH]c1C)c1c(C)n(C)c2ccccc12 409183149 QHBFVXUCNFFPPO-UHFFFAOYSA-N 351.410 3.141 10 40 FGCB CC[N+](C)(CC)CCOc1ccc(N(C)CC[N+](C)(CC)CC)cc1 5333394 XEEPITQASWLFJS-UHFFFAOYSA-N 351.579 3.474 10 40 FGCB COCC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 60345408 PIZRBMQTXSKONP-CYBMUJFWSA-N 358.438 3.020 10 40 FGCB COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c1 1207722 XCEKXFREMYNPGQ-RVDMUPIBSA-N 370.455 3.241 10 40 FGCB CC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 5954275 MKZPKPKIYVLTPO-SXGWCWSVSA-N 365.345 3.309 10 40 FGCB Oc1c([C@H](c2cccnc2)N2CCOCC2)cc(Cl)c2cccnc12 21486920 DPGWYHGKOSNJBH-SFHVURJKSA-N 355.825 3.410 10 40 FGCB COc1cc(/C=C2\SC(NC3CCCC3)=NC2=O)cc(OC)c1OC 21313751 DECREIPZPBWHCU-GDNBJRDFSA-N 362.451 3.215 10 40 FGCB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2cccnc2)SC1=S 35041506 BBHWOVLQSNUCMV-VGOFMYFVSA-N 356.428 3.494 10 40 FGCB Cc1ccnc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 225839836 ZFEPIKMEZZJJMG-OAHLLOKOSA-N 356.495 3.274 10 40 FGCB COc1ccc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1C 6963993 OZHRCGPHCAXCBG-MRXNPFEDSA-N 358.488 3.370 10 40 FGCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC[C@H]1CCCO1 103918059 KXVKTXXEGXLCSP-SQFNAUOLSA-N 357.454 3.241 10 40 FGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3O)C2=O)c(C)c1 408886973 NEIHKQJEXDQCOY-NTEUORMPSA-N 370.792 3.329 10 40 FGCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)NC1=S 408780315 XFGVZMGVQRZDLL-XYOKQWHBSA-N 372.833 3.185 10 40 FGCB CC[C@@H](C)N1C(=O)/C(=C\Nc2ccccc2C(=O)OC)SC1=S 101486384 HNBYLHWBJMSRBD-QQMDNXKGSA-N 350.465 3.385 10 40 FGCB CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc(N2CCCC2=O)cc1 12565484 JXOKAYCLCGCFIU-UHFFFAOYSA-N 365.477 3.081 10 40 FGCB COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(OC)c1OC 13945719 CNILRYXLEWKUFC-PTNGSMBKSA-N 362.451 3.169 10 40 FGCB CCN1c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)cc2C(C)=CC1(C)C 113818868 XHJDRIIFMLNNJB-UHFFFAOYSA-N 367.449 3.142 10 40 FGCB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)SC(=S)N1CN1CCCCC1 13398578 XSRVSRILLFGKDJ-UVTDQMKNSA-N 363.464 3.239 10 40 FGCB O=C(O)[C@H]1CCCC[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12 3954333 CAVIJGGXNIURPI-UWVGGRQHSA-N 370.357 3.373 10 40 FGCB in-vivo CCCn1cc(/C=C2/C(=O)NC(=S)N([C@@H](C)CC)C2=O)c2ccccc21 13842511 YZYAGQXBJPBSTH-RERGGYADSA-N 369.490 3.477 10 40 FGCB Cc1ccnc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 225839820 ZFEPIKMEZZJJMG-HNNXBMFYSA-N 356.495 3.274 10 40 FGCB CC[C@@H](C)N1C(=O)/C(=C\Nc2cccc(C(F)(F)F)c2)C(=O)N=C1S 103128551 WZJUDUYVANMNHB-ZPBHHCQCSA-N 371.384 3.454 10 40 FGCB O=C1NC(=S)S/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1 408529975 JVJWYLVTVWLTSE-DHDCSXOGSA-N 371.439 3.453 10 40 FGCB Cc1noc2ncc(C(=O)NCc3ccc(N4CCSCC4)cc3)cc12 84067923 OTKJDKTVSJLBHL-UHFFFAOYSA-N 368.462 3.014 10 40 FGCB COc1ccc(-n2c(C)cc(C(=O)CN3C[C@@H](C)O[C@H](C)C3)c2C)cc1 19902855 IVOWIOXCRUDIKD-HZPDHXFCSA-N 356.466 3.395 10 40 FGCB Cc1ccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3ccccc3O)C2)cc1 5043662 KEQQNNCMFJWEGQ-KRWDZBQOSA-N 352.390 3.243 10 40 FGCB Cc1cc(NC(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)no1 29922984 TVVBARONDPPRDP-UHFFFAOYSA-N 355.316 3.273 10 40 FGCB COc1ccc(Br)c(C=C2C(=O)OC3(CCCC3)OC2=O)c1 58866157 XDEOYDQXDVUJQF-UHFFFAOYSA-N 367.195 3.211 10 40 FGCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C 95483248 KLCPYSPUOBVNTL-JXAWBTAJSA-N 369.494 3.238 10 40 FGCB CC(=O)c1ccc(N=N[C@@H](C(N)=O)[C@@H]2NC(C)(C)Cc3ccccc32)cc1 604940876 WQFHCZGUBRVAAW-RTBURBONSA-N 364.449 3.492 10 40 FGCB CN(C)c1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2OCC3)cc1 1298597 GJJAICDPYFDTSE-FQEVSTJZSA-N 359.433 3.206 10 40 FGCB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)C2)cc1OC 4138582 KFTUHNQLCKBIBU-LJQANCHMSA-N 367.449 3.467 10 40 FGCB Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1-c1ccccc1 4404780 UMUGRRKPDOTOGC-UHFFFAOYSA-N 365.433 3.141 10 40 FGCB CCOc1cccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 28048198 VVDIOTLEZYHRPN-JLHYYAGUSA-N 351.449 3.151 10 40 FGCB O=C1N=C(Nc2cc(C(=O)O)cc(C(=O)O)c2)S/C1=C\c1ccccc1 16928255 VAQMGWHHOLDTBB-NSIKDUERSA-N 368.370 3.165 10 40 FGCB CCc1ccccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 409002399 UKEOUIHPHWIZDY-UHFFFAOYSA-N 365.433 3.090 10 40 FGCB CC1=CC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=N)N2O1 41078285 PMZHLFPVPQGNDM-IBEXDWOESA-N 364.317 3.305 10 40 FGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 3071872 ZAHJHACRNMXCJV-VWLVURMCSA-N 351.449 3.150 10 40 FGCB COC(=O)CCCN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=S 1236331 JSPCIBVCBHOKLI-RAXLEYEMSA-N 351.449 3.486 10 40 FGCB CC1=NN(C(=O)c2ccc(C)cc2)C(=O)[C@H]1/N=N\c1ccccc1C(=O)O 104280387 AUHYMQXXPORJMG-JHBCHSCWSA-N 364.361 3.204 10 40 FGCB Cc1ccc(C)n1-c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 8341194 MNAQAURYXZXHIB-NRFANRHFSA-N 373.456 3.147 10 40 FGCB CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)ccc1O 408937747 OLKPAVXWIRMGKK-LFIBNONCSA-N 350.374 3.233 10 40 FGCB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)N1CCCC1 4176458 HLGUVGMCVBTJLJ-KAMYIIQDSA-N 364.467 3.039 10 40 FGCB O=C(O)CN1C(=O)/C(=C/Nc2cc(Cl)cc(Cl)c2)SC1=S 100915029 GYDOXMDXVYKZNG-WTKPLQERSA-N 363.247 3.192 10 40 FGCB C[C@H](NC1=CC(=O)OC12CCCCC2)c1ccc(N2CCOCC2)cc1 12401872 SPXUXZDURYCUPG-INIZCTEOSA-N 356.466 3.317 10 40 FGCB CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 408913133 KZSACCLUKNBEMA-MHWRWJLKSA-N 368.364 3.279 10 40 FGCB Cc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 225775517 GBVNXNMPFMRKJA-UHFFFAOYSA-N 354.523 3.233 10 40 FGCB COc1ccc(N2CCN(C[C@@H](O)c3cn(C)c4ccccc34)CC2)cc1 19290379 YELZBQITRZYTKB-JOCHJYFZSA-N 365.477 3.043 10 40 FGCB COCCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C 408995177 AMAQYXZDQYHXGR-RAXLEYEMSA-N 369.339 3.024 10 40 FGCB COC(=O)C1=C(C)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(SC)cc1 408891928 FNZOWVRNNIDGEN-QJISPJEISA-N 373.474 3.260 10 40 FGCB COC(=O)c1cccc(NC(=S)NCCCN2CCc3ccccc32)c1 225560455 PDZUDNTWDIGINU-UHFFFAOYSA-N 369.490 3.212 10 40 FGCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375046 NJVQXPNCQGFUDC-CXFMPIOESA-N 363.460 3.200 10 40 FGCB CN(C)c1ccc(CNC(=O)CSc2ncnc3sccc23)cc1 9364322 MZGWZJHZRRSTCP-UHFFFAOYSA-N 358.492 3.166 10 40 FGCB Cc1cc2oc(C(=O)NCCc3ccc(N)cc3)cc(=O)c2cc1Cl 8846144 CIVUAUVAGWOTGY-UHFFFAOYSA-N 356.809 3.310 10 40 FGCB CC(=O)NCCC(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 4339666 CHTZRHZMWAFLIK-GHVJWSGMSA-N 368.393 3.110 10 40 FGCB COc1ccc([C@H](C)NCc2ccc(N3CCOCC3)cc2)c(OC)c1 42790521 UAVYMAJSBFZAQP-INIZCTEOSA-N 356.466 3.391 10 40 FGCB NS(=O)(=O)c1ccc(/N=N\c2cc3ccccc3c(C(=O)O)c2O)cc1 13099120 ROSNSSVBDFGLGW-VXPUYCOJSA-N 371.374 3.306 10 40 FGCB in-vitro Cc1nc([C@@H]2CCN(Cc3cc(F)c(N4CCCC4)cc3C)C2)cc(=O)[nH]1 19567045 WRTYTPLZZHEDOP-MRXNPFEDSA-N 370.472 3.116 10 40 FGCB CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5097772 TYDQLZPMNOQVEK-FQEVSTJZSA-N 355.482 3.184 10 40 FGCB Oc1cc2c(cc1[C@H](c1ccc3c(c1)OCO3)N1CCCCC1)OCO2 5344579 HABRLAIPVWNRBF-FQEVSTJZSA-N 355.390 3.425 10 40 FGCB Cc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)c(C)n1-c1ccc(F)cc1 9235228 RSIYQFOQUWGZRI-FPYGCLRLSA-N 370.340 3.101 10 40 FGCB CCCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 409221224 MVRXGNLUSZHFQY-BOPFTXTBSA-N 368.393 3.305 10 40 FGCB O=C(O)c1cccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)c1 3353959 RGADPTDOEWIUCQ-ZSOIEALJSA-N 357.412 3.496 10 40 FGCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(N2CCOCC2)cc1 10113661 LMMQFZQZTLWZAG-UHFFFAOYSA-N 365.477 3.053 10 40 FGCB COc1cccc(C(=O)COC(=O)c2sc3nc(C)ccc3c2N)c1 13575249 JUFXMJYLOMCCPV-UHFFFAOYSA-N 356.403 3.235 10 40 FGCB CCCCC1=NN2C(=N)/C(=C/c3ccc(O)c(OC)c3)C(=O)N=C2S1 13897016 PHOMGOLIHZERGJ-CQWRCJHRSA-N 358.423 3.210 10 40 FGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1cccc(Cl)c1 12555936 BAHFNJSGXQOWNO-UHFFFAOYSA-N 374.868 3.214 10 40 FGCB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/C=C/c1ccccc1 2277053 CODHQAQCPIBXSG-UYQSWCAZSA-N 352.390 3.213 10 40 FGCB CCOc1cccc(N2C(=O)/C(=C/c3ccc(C)cc3)C(=O)NC2=S)c1 408741196 OKCHJQAYMXOLDT-GZTJUZNOSA-N 366.442 3.225 10 40 FGCB CN1CCN(c2ccc(CNC(=S)Nc3ccc(F)cc3)cc2)CC1 225776130 RSNJVIOWSYJBJP-UHFFFAOYSA-N 358.486 3.064 10 40 FGCB O=C1Nc2ccccc2/C1=C1\SC(=S)N(CCc2ccccc2)C1=O 16035740 DSYZKZQJNRTHKK-FOCLMDBBSA-N 366.467 3.453 10 40 FGCB COc1ccc(N2N=C(C)/C(=C/Nc3cccc(C(=O)O)c3)C2=O)cc1 16160820 YGBLGHPLTGTECW-BOPFTXTBSA-N 351.362 3.112 10 40 FGCB O=C1c2ccccc2C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc21 4809427 AWLVIKDUICGLMU-UHFFFAOYSA-N 363.394 3.263 10 40 FGCB CC(C)CN1C(=O)/C(=C\Nc2ccc3c(c2)OCCO3)SC1=S 9421980 PSFLTRBNUOQMBV-RIYZIHGNSA-N 350.465 3.227 10 40 FGCB COc1ccc(N2CCCN(C(=O)c3ncoc3-c3ccco3)CC2)cc1 74509235 HDCCHGMZXOSKHH-UHFFFAOYSA-N 367.405 3.296 10 40 FGCB COc1ccc(Br)c(C(=O)NCc2ccc(N(C)C)cc2)c1 18214927 PLDUORRUKTZKAZ-UHFFFAOYSA-N 363.255 3.454 10 40 FGCB O=C(Cc1ccccc1)NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S 5551865 NEKHJXULSQAYHQ-GDNBJRDFSA-N 372.446 3.301 10 40 FGCB CCCC(=O)NC[C@H](c1ccco1)N1CCN(c2ccc(OC)cc2)CC1 56946040 ZPBSIPIEMQHJNC-LJQANCHMSA-N 371.481 3.068 10 40 FGCB COC(=O)Cc1c(C)c2cc(CNC3CCCCC3)c(O)c(C)c2oc1=O 12390837 ISPNWFPFYKAITM-UHFFFAOYSA-N 373.449 3.253 10 40 FGCB COc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)cc1 1300972 XVLRPVRCGVMPQH-FSBNRTBOSA-N 351.449 3.006 10 40 FGCB O=C(N1CCCCC1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 26244725 OYMCQVKSSFNTAA-UHFFFAOYSA-N 353.466 3.269 10 40 FGCB O=C(O)CCCNC1=NC(=O)/C(=C/c2ccccc2C(F)(F)F)S1 6926819 LMQANTOWGZRIMT-FLIBITNWSA-N 358.341 3.130 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)cc(C)c3)CC2)cc1 7495748 NDKAROJNOBAUIT-SFHVURJKSA-N 368.477 3.428 10 40 FGCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1C 408997636 HOWXNGNCFXFFOC-NVNXTCNLSA-N 371.824 3.148 10 40 FGCB CC1(C)[C@@]2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC[C@@]1(C)C(=O)C2=O 100190235 UXMAFAYQPNMMER-IRXDYDNUSA-N 369.339 3.488 10 40 FGCB CCCCC1(C)OC(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)C(=O)O1 2120890 BCZQRDSNFSFBCH-UHFFFAOYSA-N 364.394 3.102 10 40 FGCB Cc1ccc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)cc1 41084830 MZMPZEKDGLQODA-JCOXHHPGSA-N 353.451 3.058 10 40 FGCB CNC(=S)N1N=C(c2cccc(OC)c2)C[C@H]1c1ccc(N(C)C)cc1 95116027 GKFMBGRUYOJDST-IBGZPJMESA-N 368.506 3.417 10 40 FGCB CCOC(=O)N1CCC(Nc2nc(-c3ccc(O)c(O)c3)cs2)CC1 47283019 FVLYEWFIMXQIKZ-UHFFFAOYSA-N 363.439 3.254 10 40 FGCB O=C(NC1(Cl)C(=O)c2ccccc2C1=O)c1ccc(C(F)(F)F)cc1 2387748 NJZAVXPRHZLOQE-UHFFFAOYSA-N 367.710 3.450 10 40 FGCB N=C1/C(=C\c2ccc(Cl)cc2)C(=O)N=C2SC(c3cccnc3)=NN12 13770879 WDEDMKKXINRYRO-RLKNNEGJSA-N 367.821 3.402 10 40 FGCB CCN(CC)c1ccc(CN(C)C(=O)c2n[nH]c(=O)c3ccccc23)cc1 9932420 CCKUEDKPPLKWEM-UHFFFAOYSA-N 364.449 3.042 10 40 FGCB COc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 13670611 XEZPGZWQFMVPKR-INIZCTEOSA-N 354.450 3.379 10 40 FGCB CC[C@H](C)Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 16610161 PJCFAZDZSSGHSB-ZDUSSCGKSA-N 353.422 3.121 10 40 FGCB O=C(O)CCCCCN1C(=O)/C(=C\c2ccccc2O)SC1=S 1908292 QRBSZNBHIQXSRW-JLHYYAGUSA-N 351.449 3.238 10 40 FGCB CCOC(=O)c1c(C)[nH]c2c1-c1cc(Br)ccc1C(=O)C2=O 2075115 VRVYSHCWFQTFQM-UHFFFAOYSA-N 362.179 3.308 10 40 FGCB COc1ccc(OC)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 13689619 OAGJKPIQYATPGU-GRRFOWRYSA-N 365.476 3.084 10 40 FGCB CC[C@@H](C)N1C(=O)/C(=C\Nc2ccc3c(c2)OCCO3)SC1=S 9422500 MFMONIRTFYOQNL-GMROUXNLSA-N 350.465 3.370 10 40 FGCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408796217 DUSLVIDOEUVJCU-FOWTUZBSSA-N 364.401 3.369 10 40 FGCB CCN(CC)c1ccc(CNC(=O)c2ccc(N3CCOCC3)cc2)cc1 224295155 HSHRWQPXOJGEKX-UHFFFAOYSA-N 367.493 3.299 10 40 FGCB CCn1c(C)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c1C 15013517 KBRZJGPGVUHDMD-UVTDQMKNSA-N 371.437 3.095 10 40 FGCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C(=O)O)cc1 59435440 ZVIYYTAYQVBHBZ-ATVHPVEESA-N 369.417 3.390 10 40 FGCB CCN1C(=O)C(=Cc2ccc(OCC(C)C)cc2)C(=O)N(CC)C1=S 408600577 DPYITZYRLYXVJY-UHFFFAOYSA-N 360.479 3.100 10 40 FGCB CCOc1cc(/C=C2\SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC 409026045 DMSKWGGBSAYSDY-JYRVWZFOSA-N 368.842 3.244 10 40 FGCB Cc1ncsc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 55531542 FXCLRFBRXXFFRC-VXGBXAGGSA-N 363.458 3.134 10 40 FGCB O=C(O)c1ccc(-n2cccc2/C=C2/N=C(O)N(c3ccccc3)C2=O)cc1 9014139 SSHMKHPXXGTLGA-QGOAFFKASA-N 373.368 3.477 10 40 FGCB CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC)C3=O)c2C)cc1 409234130 ZCQOAKNQDYIZDA-LDADJPATSA-N 353.422 3.405 10 40 FGCB COc1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408962431 RYAGCAZUKIPNMY-FKKWJZCKSA-N 362.385 3.226 10 40 FGCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 5373603 SCAGRUNJHCHNBC-WGQGCQLISA-N 365.476 3.396 10 40 FGCB CCOc1ccc(O)c([C@@H]2Nc3cc(OC)c(OC)cc3C(=O)N2C)c1 42185984 XXLUPUZDBWEJJM-GOSISDBHSA-N 358.394 3.004 10 40 FGCB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 27533588 VODYDPBUAABDHZ-SPCOFGNNSA-N 369.489 3.243 10 40 FGCB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCCC1 4263459 DOTFDZNQVPHSNE-UKTHLTGXSA-N 366.533 3.398 10 40 FGCB COc1ccc(-c2cnc(SCC(N)=O)n2Cc2ccccc2)cc1 44085444 HOWRPTCWRGLUFK-UHFFFAOYSA-N 353.447 3.184 10 40 FGCB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 6077277 KJFPHPYOAYAOMX-IBGZPJMESA-N 365.433 3.124 10 40 FGCB COC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)c(Cl)c1O 11906983 PJFUAVOJXJUCNE-UHFFFAOYSA-N 368.798 3.250 10 40 FGCB O=C1c2ccccc2C(=O)c2c1cccc2N1C(=O)c2ccccc2C1=O 4713982 KBLFCHZTXMGMCV-UHFFFAOYSA-N 353.333 3.263 10 40 FGCB CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc2c1CCC2 2486391 NUUBFQMTRMAPEL-MNOVXSKESA-N 363.435 3.019 10 40 FGCB CN(CCNC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 225571746 SQHMIOPFLVXFLF-UHFFFAOYSA-N 368.506 3.236 10 40 FGCB CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1O 58174858 HTUSXTQICBHDCR-UHFFFAOYSA-N 373.409 3.160 10 40 FGCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC[C@@H]1CCCO1 103918055 KXVKTXXEGXLCSP-FJSNCCPHSA-N 357.454 3.241 10 40 FGCB COc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)c(Cl)c3)C2=O)cc1 12420265 MOORPLHGYGULKX-JYRVWZFOSA-N 363.200 3.463 10 40 FGCB O=C1c2ccccc2N[C@H](c2cc(O)c(O)c(Cl)c2)N1C[C@H]1CCCO1 8720423 UYBIEFJWCNLVDH-XIKOKIGWSA-N 374.824 3.497 10 40 FGCB COc1ccc(CCN2C(=O)/C(=C/c3cccn3C)SC2=S)cc1 35040179 HWNVLGHVNXXYCQ-VBKFSLOCSA-N 358.488 3.478 10 40 FGCB O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1N1CCOCC1 10232816 LNIJUPLWGDWYKY-VBKFSLOCSA-N 372.471 3.395 10 40 FGCB COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cccc(Cl)c3)CC2)cc1 3642789 MKUCQFQRFXXLIB-OAHLLOKOSA-N 374.868 3.465 10 40 FGCB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/Nc1cccc(F)c1 9287926 FBQDZBJPPSSEAR-FOWTUZBSSA-N 373.453 3.255 10 40 FGCB CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3NC[C@H](C(=O)O)S3)c2C)cc1 408980396 WHHIQDUYCYGVDC-IAGOWNOFSA-N 374.462 3.059 10 40 FGCB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408788958 GSDPMEYTUCBBLR-RVDMUPIBSA-N 370.792 3.405 10 40 FGCB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OC 409404913 FIGDTKLKSFHYHB-ZROIWOOFSA-N 372.808 3.209 10 40 FGCB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cn1 36635234 LBCYVMPEAMTAQI-GFCCVEGCSA-N 361.810 3.332 10 40 FGCB COc1ccc(CN2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)c(O)c1 100140992 CHURFJISIMWOFF-YOEHRIQHSA-N 350.422 3.014 10 40 FGCB O=C(C1=CN(c2ccccc2)c2ccccc2S1(=O)=O)N1CCCC1 35527519 DNFNYTZGTQBZNT-UHFFFAOYSA-N 354.431 3.076 10 40 FGCB Cc1cc(C(=O)OCC(=O)NCc2ccco2)c(C)n1-c1ccccc1 3310031 AWNGYVUGNWOEDV-UHFFFAOYSA-N 352.390 3.160 10 40 FGCB COc1ccc(Cl)cc1N1C(=O)C/C(=C\c2ccc(O)c(O)c2)C1=O 9575737 ZBENBMAOBOUBLT-IZZDOVSWSA-N 359.765 3.107 10 40 FGCB CCOc1nc2sccn2c1/C=C1\SC(N2CCCCC2)=NC1=O 98063080 UCCSYKUYSMNYJE-BENRWUELSA-N 362.480 3.251 10 40 FGCB COc1cc(CN[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)cc(OC)c1 58330146 MUIQLADZWPDQOL-KRWDZBQOSA-N 369.509 3.306 10 40 FGCB Cc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)cn1 3555241 MFNCZKLGKFZXNC-UHFFFAOYSA-N 367.380 3.371 10 40 FGCB CCN1CCN(C2=NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)S2)CC1 19842512 BNCKVPWNOUOPGB-SDXDJHTJSA-N 372.538 3.141 10 40 FGCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Cl)s1 408968241 XNCRJVFLGYHSQI-YRNVUSSQSA-N 350.758 3.207 10 40 FGCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1coc2ccccc2c1=O 13564903 PROBHLUWQMBRQT-YVLHZVERSA-N 374.352 3.297 10 40 FGCB Cc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)o1 5372731 IIAPLLRNXINWET-GHRIWEEISA-N 353.447 3.381 10 40 FGCB CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 408752648 IXWFDXLNBZDYTA-BOPFTXTBSA-N 352.415 3.372 10 40 FGCB COC(=O)c1ccc(/C=C2\C=C(c3cc(OC)ccc3OC)OC2=O)cc1 32116354 JPMOCVHPIDATFT-XNTDXEJSSA-N 366.369 3.472 10 40 FGCB O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1CN1CCCCC1 35181645 VCBPNCFLAWVKPC-GXDHUFHOSA-N 363.464 3.239 10 40 FGCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1 857529 GATRTEBLRZYUDV-UHFFFAOYSA-N 368.341 3.399 10 40 FGCB O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2c(c1)OCO2 6344921 YSIVKVZDIQDPGQ-UHFFFAOYSA-N 371.348 3.443 10 40 FGCB O=C1NC(=S)S/C1=C/c1cc(Cl)cc(Br)c1O 3027610 PCXDHHTZCKUWJH-FARCUNLSSA-N 350.646 3.297 10 40 FGCB