smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1O 199426986 TYEUHBNBXXDMEK-SFHVURJKSA-N 338.451 3.234 10 40 EGCB CCOc1cc2c(cc1OCC)[C@H](c1cccc(OC)c1O)NCC2 34588 YLSVTPWSJHSAGE-IBGZPJMESA-N 343.423 3.433 10 40 EGCB biogenic,in-vitro COc1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 516046 GJFPBXNWZKIQDP-UHFFFAOYSA-N 330.815 3.311 10 40 EGCB Cc1ccc(S(=O)(=O)NNc2nc(-c3ccccc3)cs2)cc1 1415066 XPVLURRGHSHAGY-UHFFFAOYSA-N 345.449 3.424 10 40 EGCB CCCCNC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C 5660284 WKRZGAQWWSHQNH-UHFFFAOYSA-N 328.412 3.167 10 40 EGCB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc([N+](=O)[O-])ccc1O 4248211 QSJJHHWOQNOFAN-CYBMUJFWSA-N 331.353 3.060 10 40 EGCB COc1ccc2c(c1)CCCN2[C@H](C)c1nc2ccccc2c(=O)[nH]1 9220630 MOQVKLCQOPCDLH-CYBMUJFWSA-N 335.407 3.446 10 40 EGCB CCN1C(=O)/C(=C/c2ccc(N3CCOCC3)c(C)c2)SC1=S 409378569 QFQKCIUIPDOVNT-PTNGSMBKSA-N 348.493 3.053 10 40 EGCB CC[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1c(C)noc1C 195579148 XTNPIFVISJMVAO-HNNXBMFYSA-N 343.427 3.277 10 40 EGCB O=C1c2ccccc2C(=O)c2c(O)c(Cc3ccccc3)cc(O)c21 5327881 OFUVJHVCKUIANE-UHFFFAOYSA-N 330.339 3.464 10 40 EGCB CN(C)c1ccc(/C=C2\N=C(c3ccccc3Cl)NC2=O)cc1 6396113 FNPDSTZCDYLUDF-WJDWOHSUSA-N 325.799 3.324 10 40 EGCB Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC(=O)NC(C)(C)C 54131023 IVCPVKQWDUIRBV-UHFFFAOYSA-N 347.484 3.142 10 40 EGCB CC(C)(C)Oc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 95446613 ZWUUZHQQROKWKC-UHFFFAOYSA-N 329.396 3.248 10 40 EGCB Cc1cc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C 225645306 RCESLEULWPVAEQ-UHFFFAOYSA-N 338.451 3.378 10 40 EGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 5835140 FVLKKHRUPRHFJS-VNKGSWCUSA-N 339.413 3.136 10 40 EGCB Cc1nc(/C=C2\SC(N3CCCCC3)=NC2=O)c2ccccn12 32077596 NZMCIAXOPMNTMQ-PTNGSMBKSA-N 326.425 3.099 10 40 EGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccccc1C(=O)O 18996589 QGDMQNWVATZLIT-WJDWOHSUSA-N 335.363 3.412 10 40 EGCB CN(C)[C@@H]1CN(Cc2ccccc2O)C[C@H]1c1cn(C)c2ccccc12 72395131 ZCESEIFCDJDLFP-PZJWPPBQSA-N 349.478 3.414 10 40 EGCB CN(C)CCCN(Cc1ccccn1)Cc1cc(Cl)ccc1O 13990750 FJGQDLZMRBASGU-UHFFFAOYSA-N 333.863 3.395 10 40 EGCB CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 10056807 NUWXIXRYCSZXID-UHFFFAOYSA-N 331.441 3.045 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 2399970 RTQIHKNMLBAXSB-SBMLRHLQSA-N 327.452 3.203 10 40 EGCB CC(C)(C)Oc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 107823963 QBFSOJIOVVBNOS-LGMDPLHJSA-N 336.391 3.325 10 40 EGCB O=C(O)CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2)SC1=S 12017191 AHFDRXAXMGHASC-OQFOIZHKSA-N 348.232 3.279 10 40 EGCB Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)N1CCCC1)OCO2 5344583 NVESCVKOTAWAFE-LJQANCHMSA-N 341.363 3.035 10 40 EGCB biogenic O=C1OC[C@@H]2CCN(Cc3ccccc3O)Cc3ccc(F)cc3N12 225484675 CEQWNNJRIBUSBU-INIZCTEOSA-N 342.370 3.262 10 40 EGCB biogenic,in-vitro COc1ccc2c(c1)CCCN2CC(=O)N1c2ccccc2C[C@H]1C 27578646 UYPDGAOFBUXCNF-OAHLLOKOSA-N 336.435 3.426 10 40 EGCB CC(=O)NCCc1nc[nH]c1/N=N/c1ccc(Br)cc1 17043807 FJIBPEZMMFUECK-VHEBQXMUSA-N 336.193 3.266 10 40 EGCB O=C1/C(=C/c2ccco2)SC(=S)N1Cc1ccc2c(c1)OCO2 2252941 XHPILQCQSJNICC-AUWJEWJLSA-N 345.401 3.410 10 40 EGCB Nc1c(C(=O)Nc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 4184188 XQCSIOMENFYTFJ-UHFFFAOYSA-N 342.354 3.297 10 40 EGCB NS(=O)(=O)c1ccc(/N=N\c2ccc(O)c3ncccc23)cc1 18031283 JKGWEZMHRXGMLG-HNENSFHCSA-N 328.353 3.003 10 40 EGCB CCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2OC)C1=O 4675520 FHXXEOHJYKJDGM-XNTDXEJSSA-N 332.425 3.352 10 40 EGCB O=C(c1cc(Cl)ccn1)N(Cc1ccccc1O)C[C@H]1CCCO1 96410506 NPTWTQCDLPZTGC-OAHLLOKOSA-N 346.814 3.262 10 40 EGCB CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OC 6209264 YQTIXMHXMBSTDN-POHAHGRESA-N 329.830 3.236 10 40 EGCB CCN1/C(=C2/SC(=S)N(C)C2=O)C=Cc2cc(OC)ccc21 100498720 IIKKPFRAYYCJTJ-BUHFOSPRSA-N 332.450 3.250 10 40 EGCB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1C 7908274 VGVHAZMCBNFXCA-UHFFFAOYSA-N 346.496 3.465 10 40 EGCB COc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3C)CC2)cc1 65592697 ICEBJQWPBGOFEI-HNNXBMFYSA-N 331.460 3.248 10 40 EGCB CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 71819708 BPGWMITYFWOVTM-KBPBESRZSA-N 349.450 3.133 10 40 EGCB Cc1cc(C(=O)NCC2CC2)c(C)n1-c1ccc2c(c1)OCCO2 44696544 UJDAWKBJYXRVBC-UHFFFAOYSA-N 326.396 3.005 10 40 EGCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1276907 UCJWQBIUJFTZDP-XNYAHFKXSA-N 341.841 3.103 10 40 EGCB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCOc2ccccc21 32922895 WQZFEEMTXJUFIN-ZHACJKMWSA-N 331.375 3.311 10 40 EGCB COc1ccc(N[C@@H]2SC(=S)N(c3ccccc3)C2=O)cc1 4608462 AKRIKHBDVMUIBZ-CQSZACIVSA-N 330.434 3.498 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cl)C2=O)cc1 4704561 SLMUOXAFRDNXOD-GXDHUFHOSA-N 340.766 3.315 10 40 EGCB COc1cccc(CN[C@H](C)c2ccc(N3CCN(C)CC3)cc2)c1 71825382 GXHKGNBYDMALNE-QGZVFWFLSA-N 339.483 3.298 10 40 EGCB CC(=O)N1CC[C@@H](NCc2ccc(N3CCCCCC3)cc2)[C@@H](C)C1 89937498 WBEGZDSPKJZTFM-LAUBAEHRSA-N 343.515 3.414 10 40 EGCB Cc1cc(NC(=S)NCc2ccccn2)ccc1N1CCCC1=O 225330581 MSBBEAHDVJHROO-UHFFFAOYSA-N 340.452 3.003 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3cc(Cl)c[nH]3)CC2)cc1 69389452 TXARMVCGDNNKLO-UHFFFAOYSA-N 333.819 3.076 10 40 EGCB CC(=O)C(C(C)=O)[C@@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 101403580 QDGZWYLMBCKMGQ-GOSISDBHSA-N 334.371 3.260 10 40 EGCB CC[C@H](C)N1C(=O)/C(=C\Nc2ccc(C(C)C)cc2)C(=O)NC1=S 9245528 ZPLFBQVTNPVFLV-GQVHDAKQSA-N 345.468 3.148 10 40 EGCB O=C1/C(=C\c2ccco2)SC(=S)N1C(=O)c1ccc(F)cc1 33552190 HYSMXZWKGLXGHK-XYOKQWHBSA-N 333.365 3.460 10 40 EGCB CCc1ccc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 223105756 RDPFUSQOEGMTJE-UHFFFAOYSA-N 338.451 3.149 10 40 EGCB CCCc1ncc(CN2CCCN(c3ccc(OC)cc3)CC2)cn1 19525762 RFPGKGOWZJZPNI-UHFFFAOYSA-N 340.471 3.150 10 40 EGCB O=S(=O)(NNc1nc(-c2ccccc2)cs1)c1ccccc1 1415065 MUPDWPKHDCLGPJ-UHFFFAOYSA-N 331.422 3.116 10 40 EGCB COc1ccc(N2CCCC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 4998663 GDWAATRVTDFZJP-UHFFFAOYSA-N 331.328 3.049 10 40 EGCB O=C(C[C@@H]1C(=O)Nc2ccccc21)NCc1ccc(N2CCCC2)cc1 103705081 SDVGTYGDBOTQCP-SFHVURJKSA-N 349.434 3.029 10 40 EGCB NC(=O)[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1ccccc1 71792507 PPHHKRWBTWXSGY-FQEVSTJZSA-N 332.403 3.375 10 40 EGCB C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c1cnn2C(C)(C)C 96006325 OAMMWEMVPOFDFJ-NSHDSACASA-N 341.415 3.036 10 40 EGCB Cc1ccc(CNCc2ccc3c(c2)CCO3)c(O[C@@H]2CCOC2)c1 89623627 VNQLIHCASJXJNK-LJQANCHMSA-N 339.435 3.387 10 40 EGCB CCCN1C(=O)/C(=C/c2cc3ccccc3oc2=O)SC1=S 409347694 NBOLGLRQXIFFIK-LCYFTJDESA-N 331.418 3.404 10 40 EGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1 179593 NYQCRFFOZATJJX-UVTDQMKNSA-N 326.739 3.006 10 40 EGCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCCOCC 103917712 SIPYVLUPYZIAJR-SDXDJHTJSA-N 329.444 3.480 10 40 EGCB O=C(NCc1ccco1)c1nc(-c2ccc(-n3cccc3)cc2)no1 1432161 ZHLBLIQXJVNAEO-UHFFFAOYSA-N 334.335 3.050 10 40 EGCB Cc1ccc(NC(=O)Cn2cc(-n3c(C)ccc3C)cn2)cc1F 78991384 GAHVIZLHHLMWJG-UHFFFAOYSA-N 326.375 3.377 10 40 EGCB O=C1NC(=S)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 12634979 AQEZUPQHAAIZRW-GHXNOFRVSA-N 332.362 3.344 10 40 EGCB COC(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 2304788 KEWCCHXXBRJJEA-JLHYYAGUSA-N 335.450 3.149 10 40 EGCB CN(C)c1ccc(/C=C2/SC(=S)NC2=O)cc1Br 1022549 GPRQVVSDZSXVPY-UXBLZVDNSA-N 343.271 3.004 10 40 EGCB Cc1cn2c(/C=C3\SC(N4CCCCC4)=NC3=O)c(C)nc2s1 28625524 VTAAWUJWUUIMDH-JYRVWZFOSA-N 346.481 3.469 10 40 EGCB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc([N+](=O)[O-])cc1 3298612 ZGEFZNSRTIJCNV-GXDHUFHOSA-N 331.397 3.487 10 40 EGCB COc1ccc(N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 57350689 OGPPVMLHZPPSSI-HNNXBMFYSA-N 341.411 3.487 10 40 EGCB CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc([N+](=O)[O-])cc1O 9781645 FPEKMGJZMRNHLS-ZDUSSCGKSA-N 345.380 3.450 10 40 EGCB COc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1 1281105 SQDMRTKANANSSV-NTEUORMPSA-N 328.418 3.496 10 40 EGCB COc1ccc(N2CCN([C@@H](C)c3nc(C(C)(C)C)no3)CC2)cc1 58158580 XVRSSYDVQSRDDB-AWEZNQCLSA-N 344.459 3.259 10 40 EGCB CN(C)c1ccc(CNC(=O)Nc2cc(C(F)(F)F)no2)cc1 58251084 HZODVMIABAKNBK-UHFFFAOYSA-N 328.294 3.081 10 40 EGCB COc1ccccc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 1022075 MHMDNFUWYBZSGB-OJLMPMFISA-N 335.450 3.075 10 40 EGCB COc1ccc(N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)c(OC)c1 16789996 ABSFGPYFJSCHQT-RIYZIHGNSA-N 346.433 3.438 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C)o2)SC1=S 4745737 RGWSJDWDLVIHQF-VUBLIPMDSA-N 325.411 3.043 10 40 EGCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3/NC(=O)NC3=O)cc21 208244483 HXTOKHSCQIBPIJ-CVSYOPMASA-N 333.819 3.242 10 40 EGCB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccccn2)c1 225329809 SSZVEWUVIRAIKS-UHFFFAOYSA-N 335.816 3.008 10 40 EGCB COc1ccc(-c2cc3ccc(O)c(CN(C)C)c3oc2=O)cc1 1317654 KZCBOUHIFTXFEF-UHFFFAOYSA-N 325.364 3.236 10 40 EGCB biogenic O=C(O)c1cccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c1 1849299 DLELYCJOLSUSSN-LCYFTJDESA-N 342.401 3.186 10 40 EGCB Cc1ccc(OC2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1C 178430306 CVDPCWDIUYBTHQ-UHFFFAOYSA-N 338.451 3.498 10 40 EGCB Cc1ccc(N2C(=O)/C(=C/N=c3cc(C)o[nH]3)SC2=S)cc1 618254986 MDNNIXONSHRRSP-WQLSENKSSA-N 331.422 3.032 10 40 EGCB O=C(NCc1ccc(N2CCSCC2)cc1)c1ccccc1F 48368383 PQWABSLUBICLSY-UHFFFAOYSA-N 330.428 3.309 10 40 EGCB Oc1ccc(Cl)cc1CN1CCC(O)(c2cccnc2F)CC1 13265819 ACKIHHONIOJIAF-UHFFFAOYSA-N 336.794 3.063 10 40 EGCB C=Cn1cc(CN2CCCN(c3ccc(OC)cc3)CC2)c(C)n1 13995648 XBFWSUXZFOMIGP-UHFFFAOYSA-N 326.444 3.013 10 40 EGCB COc1ccc(N2C(=O)/C(=C/c3cccs3)C(O)=NC2=S)cc1 1247089 CHHLHFPUVAGRDH-UKTHLTGXSA-N 344.417 3.428 10 40 EGCB O=C(c1ccc(Cl)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 69653702 KDVSUOMHAFZJKK-HNNXBMFYSA-N 346.814 3.262 10 40 EGCB Cc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)s1 409141578 JABDGNHOILKFLV-LCYFTJDESA-N 328.418 3.457 10 40 EGCB COC(=O)[C@H](C)N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 4391963 XJYSNKHZUSTDPK-IOOWFGSGSA-N 333.434 3.006 10 40 EGCB COc1ccc(N2CCN(C[C@@H](O)c3cc(C)ccc3C)CC2)cc1 65255260 CUOIRRSPRPZDDM-OAQYLSRUSA-N 340.467 3.168 10 40 EGCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C)o2)SC1=S 5373829 IZDRRPFNECLQEI-KBKYEYNWSA-N 339.438 3.289 10 40 EGCB CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c1C 409104876 KOIUSUOAWKMNDE-YVLHZVERSA-N 341.386 3.357 10 40 EGCB COc1ccc(N2CCN(C(=O)c3ccnc4ccccc34)CC2)cc1 74715469 GMUFPYUHCGQAHH-UHFFFAOYSA-N 347.418 3.206 10 40 EGCB COc1ccc(N2CCC(NC(=O)[C@H]3C[C@@H]3c3ccco3)CC2)cc1 78979575 YPPNAQPTRVZBML-ROUUACIJSA-N 340.423 3.177 10 40 EGCB CCCCNC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 5374680 JBKFGBBXXMOEGF-RAXLEYEMSA-N 334.466 3.048 10 40 EGCB CCCc1cc(=O)oc2c(CN[C@@H](C(=O)O)[C@H](C)CC)c(O)ccc12 4041714 QUNCZWVRGYTLBS-PIGZYNQJSA-N 347.411 3.040 10 40 EGCB biogenic COC(=O)C1=C(C)NC(=O)/C1=C\c1ccccc1OCc1ccccc1 296173 IYIBEMCSMVSXOX-ATVHPVEESA-N 349.386 3.226 10 40 EGCB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1nc3ccccc3s1)C(=O)C2=O 27026533 VPRJPSCRCJIXOB-MSOLQXFVSA-N 342.420 3.199 10 40 EGCB C[C@H]1CNc2ncnc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2C1 41123998 FNRXYTRXAFNDOX-CYBMUJFWSA-N 346.438 3.251 10 40 EGCB Cc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)s1 13635328 WPWXNNZJNPSNSN-JYRVWZFOSA-N 332.812 3.480 10 40 EGCB Cc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)n1C 4689198 SRFWDZDDISILEY-IAOKNECISA-N 336.482 3.022 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)c1ccc(C(=O)OC)s1 58179974 QOSRULXQZXINJW-UHFFFAOYSA-N 333.409 3.293 10 40 EGCB O=C(NCc1ccc(N2CCCC2)cc1)NOCc1ccccc1 41405028 ZWFHXYQAZWFCFA-UHFFFAOYSA-N 325.412 3.218 10 40 EGCB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C)c(C)n1-c1ccccn1 24996201 NIWJHZMILJKLTI-KRWDZBQOSA-N 349.438 3.030 10 40 EGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cnn(-c2ccccc2)n1 100955118 WXEWLFPQFOWWMX-UAFUQJIBSA-N 345.366 3.142 10 40 EGCB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccccc1C(=O)O 4179583 GPDVZCLWJLZFGG-RVDMUPIBSA-N 335.363 3.412 10 40 EGCB CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(Br)o2)C(=O)O1 94222 YCEAFPQNLPKKAZ-UHFFFAOYSA-N 343.173 3.288 10 40 EGCB CC1(C)[C@@]2(C(=O)Oc3cccc4cccnc34)CC[C@@]1(C)C(=O)C2=O 101426498 JLGLQCSANJATHP-PMACEKPBSA-N 337.375 3.105 10 40 EGCB O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1ccccn1 35073480 GJCCEKOJZYXYHZ-RAXLEYEMSA-N 327.434 3.352 10 40 EGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2ccccc2[nH]1 16134767 GTONSUADEUELIS-UHFFFAOYSA-N 349.434 3.277 10 40 EGCB Fc1cc(CN[C@H]2CCc3ccccc32)ccc1N1CCOCC1 66970552 UTHRQDNUVKUVHN-IBGZPJMESA-N 326.415 3.439 10 40 EGCB O=C1N=C(NC(=O)c2ccc(F)cc2)S/C1=C\c1cccs1 5374386 UTLMWNZETPGRGN-WQLSENKSSA-N 332.381 3.288 10 40 EGCB CC1=NN(c2ccccc2)C(=O)[C@H]1/N=N/c1cc([N+](=O)[O-])ccc1O 102572102 ZAIHMYMWUJGVFK-HEWTWTGNSA-N 339.311 3.175 10 40 EGCB CC(C)Oc1ncccc1NCc1ccc(N2CCN(C)CC2)cc1 95983568 KDSMWYKPSDWYGU-UHFFFAOYSA-N 340.471 3.233 10 40 EGCB Fc1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 225420270 JEARLXGKGSXOHD-UHFFFAOYSA-N 345.443 3.149 10 40 EGCB CN(Cc1ccccc1O)C(=O)c1nnn(-c2ccccc2)c1C1CC1 58329897 KRMNFXQOVNYDAJ-UHFFFAOYSA-N 348.406 3.123 10 40 EGCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCc1cnc[nH]1 604406204 ZDHJEHIXROCNAQ-UHFFFAOYSA-N 341.370 3.179 10 40 EGCB biogenic O=C1N=C(N2CCOCC2)S/C1=C\C(Cl)=C\c1ccccc1 5371078 TWYAPYWPBNHIFC-WGYBXSNTSA-N 334.828 3.112 10 40 EGCB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 6823191 SNLSECHWCVRZKP-LGMDPLHJSA-N 337.448 3.357 10 40 EGCB O=C1N=C(O)/C(=C\c2cccs2)C(=O)N1CCc1ccc(F)cc1 4477878 UHFQJVBFNDHGCA-GXDHUFHOSA-N 344.367 3.432 10 40 EGCB C[C@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1 65560995 ZYVCNQNHZUZVTO-HNNXBMFYSA-N 349.434 3.496 10 40 EGCB CCOC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 5790881 WUDKRWKBGKVDAZ-JLHYYAGUSA-N 335.450 3.149 10 40 EGCB O=C(O)c1ccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)cc1 7166083 WYNSPLJVXOEJMR-JYRVWZFOSA-N 342.401 3.186 10 40 EGCB CCn1c(/C=C2\C(=O)Nc3ccc(C)cc32)nc2ccccc2c1=O 4598895 WNQYELGBZNJFOF-PTNGSMBKSA-N 331.375 3.218 10 40 EGCB Cc1cccc(N2C(=O)N=C(O)/C(=C/c3nc4ccccc4[nH]3)C2=O)c1 6813388 NKAZJVCYFQOEAJ-RAXLEYEMSA-N 346.346 3.378 10 40 EGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cl)C2=O)c1 408741309 OXWFMCPUESVINR-GXDHUFHOSA-N 340.766 3.315 10 40 EGCB C[C@@H]1C[C@H](N(C)Cc2cc(Br)ccc2O)CCN1C 93643630 UIHQMVVLLSKSJG-BXUZGUMPSA-N 327.266 3.069 10 40 EGCB O=C(NCc1ccc(N2CCCC2)cc1)c1cncn1-c1ccccc1 28329164 JWEIHWACYFTRJK-UHFFFAOYSA-N 346.434 3.403 10 40 EGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(F)cc1 59435754 NTQGMEKAGYZGRJ-YBEGLDIGSA-N 341.338 3.292 10 40 EGCB C#CCN1C(=O)S/C(=C\c2cc(F)c(N3CCCC3)cc2C)C1=O 107565984 IAPJVAILNUJQSK-WJDWOHSUSA-N 344.411 3.404 10 40 EGCB Cc1cc(O)c(CN2CCC(C(=O)Nc3ccccn3)CC2)cc1C 58162446 SATRMQHXDACXOO-UHFFFAOYSA-N 339.439 3.255 10 40 EGCB Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O 4284235 PODGVDRDSYZZDI-UHFFFAOYSA-N 342.760 3.063 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c[nH]c4ccccc34)C2=O)cc1 19797737 YDZYEUWRQZNLJF-YBEGLDIGSA-N 345.358 3.143 10 40 EGCB COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OC)c1O 103365678 IPQASVQJNAYICK-OQLLNIDSSA-N 338.363 3.216 10 40 EGCB Cc1nc(O)c2c(n1)CN(Cc1ccc(N3CCCCC3)cc1)CC2 19576603 HSDPKCDTQIMUAA-UHFFFAOYSA-N 338.455 3.039 10 40 EGCB CN(Cc1csc(Br)c1)C(=O)Cc1ccc(N)cc1 42359928 YXJFJWIUKPGZKK-UHFFFAOYSA-N 339.258 3.294 10 40 EGCB COc1cc(/C=C2/SC(N3CCCCCC3)=NC2=O)ccc1O 67581 RYEAJPWCDXUMNK-RVDMUPIBSA-N 332.425 3.247 10 40 EGCB O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1CCCO 4064187 PXZLHENVMRQADN-ZHACJKMWSA-N 345.402 3.431 10 40 EGCB biogenic CN1C(=O)/C(=C/c2ccc(C(=O)NC(C)(C)C)cc2)SC1=S 5374683 UTQOEPAOQPZHLU-XFXZXTDPSA-N 334.466 3.046 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 2399968 RTQIHKNMLBAXSB-CBFJXKFUSA-N 327.452 3.203 10 40 EGCB O=C1[C@@H](Cc2ccc(F)cc2)SC(=S)N1Cc1cccnc1 6970957 CRGBJANFCLHJDF-CQSZACIVSA-N 332.425 3.192 10 40 EGCB Cc1nc([C@@H](NCc2cc(Cl)ccc2O)c2ccccc2)n[nH]1 69168773 GUGMBOADANTIHY-INIZCTEOSA-N 328.803 3.351 10 40 EGCB COc1cccc(-c2cnc(NCc3ccc(O)c(O)c3)n2C)c1 199412832 JEFFPJWBDYJZRK-UHFFFAOYSA-N 325.368 3.119 10 40 EGCB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccco3)C2=O)nc1C 85534 SJJIRKNTBSRUTC-XYOKQWHBSA-N 345.380 3.027 10 40 EGCB CCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1 5002757 JYKAYOSFWFSCMM-QGZVFWFLSA-N 345.443 3.114 10 40 EGCB Cc1ccc(C)n1-c1ccc(CNc2c([N+](=O)[O-])ncn2C)cc1 40158218 XGYCUTDRSYXBHB-UHFFFAOYSA-N 325.372 3.348 10 40 EGCB Cc1ccc(Cl)c2c1NC(=O)[C@]21NN=C(c2ccccc2)S1 342229 CCTVDCCJJCULAV-INIZCTEOSA-N 329.812 3.452 10 40 EGCB Cc1noc(CCNC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 65475449 DKNUQLDIYJACFX-UHFFFAOYSA-N 338.411 3.066 10 40 EGCB Cc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(N(C)C)cc2)c1 72329142 JZHHEAPDIGMWNS-UHFFFAOYSA-N 334.423 3.381 10 40 EGCB Cc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)o1 270392 UIICAWPUTNYKGD-MDWZMJQESA-N 330.340 3.399 10 40 EGCB CN1CCCc2cc([C@H](CNC(=O)C3CC3)N3CCCCC3)ccc21 9137586 ISEWVAVXIPDWIT-FQEVSTJZSA-N 341.499 3.122 10 40 EGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1nccc2ccccc12 58433836 BXJWLJMLJWQDCV-UHFFFAOYSA-N 347.418 3.001 10 40 EGCB CCN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 2065643 YBPDCXMQUKPTKA-UKTHLTGXSA-N 344.754 3.082 10 40 EGCB CCN1c2cc(C)c(/C=C3/NC(=O)NC3=O)cc2[C@H](C)CC1(C)C 208319016 LVHJGCHQNKLBBC-KMHUVPDISA-N 327.428 3.287 10 40 EGCB CCc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1 3912303 MFAZBGBSJNSDCL-HXUWFJFHSA-N 339.484 3.420 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 5547572 RTQIHKNMLBAXSB-HZAKCSEPSA-N 327.452 3.203 10 40 EGCB COc1ccc(N2CCN(C(=S)c3ccccc3OC)CC2)cc1 9188026 LCJJYTCIJHSMPE-UHFFFAOYSA-N 342.464 3.202 10 40 EGCB CCCCCCN1C(=O)N=C(O)/C(=C/c2nc3ccccc3[nH]2)C1=O 8970985 SRPLRTFVDCRCPT-QXMHVHEDSA-N 340.383 3.445 10 40 EGCB O=c1cc(CN2CCC[C@@H]2c2ccco2)c2cc(O)c(O)cc2o1 97135203 UEQYJDRAIXYLAS-CYBMUJFWSA-N 327.336 3.134 10 40 EGCB Cc1noc(C(C)C)c1C(=O)NCc1ccc2c(c1)CCCN2C 58329862 HOXRMWOOYVDCIO-UHFFFAOYSA-N 327.428 3.419 10 40 EGCB CCOc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409398407 AKFDCAXULPCLSI-PTNGSMBKSA-N 342.782 3.200 10 40 EGCB Oc1ccccc1CNC1(Cc2cc(-c3ccccc3)on2)COC1 72321930 LWTYHORSFKGFEJ-UHFFFAOYSA-N 336.391 3.149 10 40 EGCB biogenic,in-vitro CN(C)c1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCCC2)cc1 45039 JKZKDGNTBFQFRY-HXUWFJFHSA-N 340.423 3.372 10 40 EGCB CN1CCCc2cc(/C=C/C(=O)NC[C@H]3Cc4ccccc4O3)ccc21 58245766 IRHMXBGOYHJSOB-SINXNMPMSA-N 348.446 3.202 10 40 EGCB CC[C@@H](NC(=O)c1cc(=O)[nH]c2cc(F)ccc12)c1ccccc1O 96417842 AYDALKFXJSWTEK-OAHLLOKOSA-N 340.354 3.254 10 40 EGCB CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)NC(=O)CCS2 53914709 VLOCYVXVZBOTOR-UHFFFAOYSA-N 342.420 3.099 10 40 EGCB CCN(CC[N+](C)(C)CC)c1ccc(OCC[N+](C)(C)CC)cc1 5322109 GSNGNTGQRSSCAH-UHFFFAOYSA-N 337.552 3.084 10 40 EGCB O=C1N=C(O)/C(=C\c2nc3ccccc3[nH]2)C(=O)N1C1CCCCC1 38183085 TXOBURLCYAVOGC-ZRDIBKRKSA-N 338.367 3.198 10 40 EGCB CCN(C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C1CC1 71819707 BPGWMITYFWOVTM-ZIAGYGMSSA-N 349.450 3.133 10 40 EGCB CN(C)CCCNc1ccc([N+](=O)[O-])c2nc3ccccc3c(N)c12 31852805 LCDONRWWUHTTBU-UHFFFAOYSA-N 339.399 3.242 10 40 EGCB CN1CCc2cc([C@@H](CNC(=O)C3CCCC3)N3CCCC3)ccc21 8963271 FYYAWGLTSCPWFX-HXUWFJFHSA-N 341.499 3.122 10 40 EGCB CC[C@H](NC(=O)c1cc(=O)[nH]c2cc(F)ccc12)c1ccccc1O 96417841 AYDALKFXJSWTEK-HNNXBMFYSA-N 340.354 3.254 10 40 EGCB Cn1ccnc1C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 15910910 NLIUCVUCTHBNMB-UHFFFAOYSA-N 329.359 3.405 10 40 EGCB O=C1/C(=C\c2ccncc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830582 BILUDTKTTDVOTC-UKTHLTGXSA-N 343.389 3.396 10 40 EGCB CCCCc1ccccc1NS(=O)(=O)c1cccc2nonc12 14256310 YYHGONWTQNKABG-UHFFFAOYSA-N 331.397 3.366 10 40 EGCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 409409994 YDMQYADCVNAETN-VVTMIQRTSA-N 336.391 3.325 10 40 EGCB COc1ccccc1CC1CCN(C(=O)Cc2ccc(N)cc2)CC1 237143377 VIUDJQJIKNNFPU-UHFFFAOYSA-N 338.451 3.301 10 40 EGCB COc1cc(N(C)Cc2c(C)nn(C)c2Cl)cc(OC)c1OC 78876640 OEXXTCLIGNJCFB-UHFFFAOYSA-N 339.823 3.044 10 40 EGCB Cc1ccc(N2NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)c(C)c1 59475176 CREDKCZVHJXYJP-MHWRWJLKSA-N 331.375 3.246 10 40 EGCB CN(C)c1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(Cl)cc2)cc1 203443 SAXJVFTTWMMNML-MRXNPFEDSA-N 346.814 3.352 10 40 EGCB COCCCNC(=S)Nc1ccccc1C(=O)c1ccccc1 2809107 ZPMLLYFIIBGCLP-UHFFFAOYSA-N 328.437 3.241 10 40 EGCB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC3)cc1 24093444 ZYEYJVNEBZJOFB-UHFFFAOYSA-N 344.480 3.062 10 40 EGCB Cc1nc([C@H](NCc2cc(Cl)ccc2O)c2ccccc2)n[nH]1 69168772 GUGMBOADANTIHY-MRXNPFEDSA-N 328.803 3.351 10 40 EGCB Cc1cc(C(=O)[C@H](C)OC(=O)c2cnccn2)c(C)n1-c1ccccc1 5398537 MJIMUQFWSHVEFC-HNNXBMFYSA-N 349.390 3.312 10 40 EGCB CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)C(=O)C2=O 100198380 XMIHXAYKKLPBME-QFYYESIMSA-N 339.313 3.218 10 40 EGCB CC1(C)OC(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)O1 139073 QPGLDOKUHAFDTA-UHFFFAOYSA-N 343.291 3.074 10 40 EGCB biogenic CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C)o2)SC1=S 5373837 IZDRRPFNECLQEI-RSBGCTCZSA-N 339.438 3.289 10 40 EGCB Cc1cccc(N2C[C@@](O)(c3cccs3)[N+]3=C2SCCC3)c1 425732 OZRQEVVJJMSTTH-QGZVFWFLSA-N 331.486 3.227 10 40 EGCB Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)o1 13799876 GIKMPSKYUKJENL-LCYFTJDESA-N 344.417 3.134 10 40 EGCB O=C1N=C(O)/C(=C\c2cccs2)C(=O)N1Cc1ccc(F)cc1 4821782 GYIGZACWAPWURC-MDWZMJQESA-N 330.340 3.390 10 40 EGCB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(O)c([N+](=O)[O-])c1 96669698 VMHZOSRNPIBYPX-NTEUORMPSA-N 347.396 3.193 10 40 EGCB Oc1ccc(CCNc2nc(-c3ccncc3)nc3c2CCC3)cc1O 95407822 SNLNKMAAVLYWHI-UHFFFAOYSA-N 348.406 3.093 10 40 EGCB CSc1cccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)c1 71775348 OIFISIOKOFCKIM-UHFFFAOYSA-N 338.436 3.488 10 40 EGCB O=C(O)CCCN1C(=O)/C(=C\c2c(F)cccc2F)SC1=S 6210106 CEXKSQFJFGYDMG-YRNVUSSQSA-N 343.376 3.031 10 40 EGCB Cc1cccc2nc(CSC(=S)NCc3cccnc3)cn12 564739 SHLBJLRRZKJCRW-UHFFFAOYSA-N 328.466 3.346 10 40 EGCB CCCCOC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 9444392 ULKJMIAQYBCZGH-DHZHZOJOSA-N 341.479 3.293 10 40 EGCB O=C1c2ccccc2C(=O)c2c(N=S3(=O)CCCC3)cccc21 66091787 WJBVRGDFNHCVCV-UHFFFAOYSA-N 325.389 3.355 10 40 EGCB CN(C)c1ccc(-n2cccc2/C=C2/SC(=S)NC2=O)cc1 4675256 SUEIHGZGINNOFI-GXDHUFHOSA-N 329.450 3.032 10 40 EGCB O=C1NC(=S)S/C1=C/c1cc(Cc2ccccc2)ccc1O 5774006 JVPGFWFHYFCALR-XNTDXEJSSA-N 327.430 3.472 10 40 EGCB CCCCc1cc(=O)oc2c(CN[C@@H](CCC)C(=O)O)c(O)ccc12 11866887 BIZSJKMJQGGFJH-HNNXBMFYSA-N 347.411 3.184 10 40 EGCB CCCCOC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 5374670 RZNQYBONSLLCQP-RAXLEYEMSA-N 335.450 3.475 10 40 EGCB Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097729 MPZCNFYWQVVPOQ-FQEVSTJZSA-N 339.483 3.402 10 40 EGCB CCOc1cc2c(cc1OCC)[C@@H](c1c(O)cccc1OC)NCC2 34593 STBWVSJNJBTCRE-FQEVSTJZSA-N 343.423 3.433 10 40 EGCB biogenic Cc1ccc(C)n1-c1ccsc1C(=O)NCc1nncn1C1CC1 89652272 ZVXYDXSRBIVGPU-UHFFFAOYSA-N 341.440 3.012 10 40 EGCB CCc1cccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccccc32)c1 64979134 SQMVVBFSEJAZQA-UHFFFAOYSA-N 343.404 3.189 10 40 EGCB CN(C)c1ccc(CNC(=O)CCOc2cccc(Cl)c2)cc1 32712277 TXZIMTYIRLKDHO-UHFFFAOYSA-N 332.831 3.491 10 40 EGCB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccccc1F 214341226 QAWRXOLTPMRESR-OVCLIPMQSA-N 345.351 3.473 10 40 EGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1OC 6395089 HMUKRGGROVONHO-VBKFSLOCSA-N 341.407 3.310 10 40 EGCB Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1ccccc1F 46394379 YUILYYUJBLXPSS-UHFFFAOYSA-N 340.402 3.239 10 40 EGCB Nc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 3280969 CDTNMMUXRATBRS-UHFFFAOYSA-N 333.303 3.131 10 40 EGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(F)cc(F)c1 12608338 UWFZJIKHNOOJLK-UHFFFAOYSA-N 346.377 3.074 10 40 EGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)C(=O)NC2=S)c(C)c1 409131839 PBFCDMTUZVYJOX-NTEUORMPSA-N 340.404 3.036 10 40 EGCB C[C@H](NC(=O)[C@H]1CCCN(C)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 216918140 GNEDOUFTIQJOBS-AOIWGVFYSA-N 343.515 3.442 10 40 EGCB COc1ccc(N(C)Cc2cc3cc(C)ccc3[nH]c2=O)c(OC)c1 13561580 PYJPQJUTMHPRCZ-UHFFFAOYSA-N 338.407 3.490 10 40 EGCB CCOc1ccc2nc(NC3=NC(C)(C)C=C(C)N3)nc(C)c2c1 5593104 LQJFOLOHSFCUQS-UHFFFAOYSA-N 325.416 3.390 10 40 EGCB aggregator CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 9190117 RCRPWEJUSTYDNB-QTNMRXCUSA-N 349.477 3.466 10 40 EGCB Cc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1 1276840 KBRYKIOWNJOYIU-JYRVWZFOSA-N 335.450 3.148 10 40 EGCB COc1ccc(/C=C2\SC(NC3CCCC3)=NC2=O)c(OC)c1 21313787 XMPSFVYFEWQWTJ-DHDCSXOGSA-N 332.425 3.206 10 40 EGCB CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)C1=O 408810395 JORLXIJFWRZULT-MDWZMJQESA-N 329.333 3.311 10 40 EGCB Cc1sc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] 28335921 NGDFXWAPLOKZLV-UHFFFAOYSA-N 345.424 3.495 10 40 EGCB COc1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)cc1C 223194305 MYFOIKBXZAIRHA-UHFFFAOYSA-N 338.451 3.463 10 40 EGCB Cc1ccc(N2NC(=O)/C(=C\c3ccccc3Cl)C2=O)cc1C 59475167 PCUOHSXBKMWVQN-XNTDXEJSSA-N 326.783 3.418 10 40 EGCB O=C1N=C(Nc2ccccc2)S/C1=C/c1cccc([N+](=O)[O-])c1O 33908401 BTBILZVRCPXJCK-UKTHLTGXSA-N 341.348 3.383 10 40 EGCB Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccccc1 19791869 QXYORBWBBMQBNT-HOTGVXAUSA-N 326.440 3.386 10 40 EGCB aggregator Cc1ccc(-c2ccc(/C=C3/SC(=O)NC3=O)o2)cc1C(=O)O 59105254 JOODSNDFNHZKPN-NTUHNPAUSA-N 329.333 3.277 10 40 EGCB Cc1ccc(CC(=O)N(Cc2ccc(N(C)C)cc2)CC2CC2)cn1 69807861 RTTXNSWPRRGCAN-UHFFFAOYSA-N 337.467 3.437 10 40 EGCB COc1ccc(N2CCN(C(=S)c3ccc(F)cc3)CC2)cc1 9188039 QVLAQPMGAGZIAD-UHFFFAOYSA-N 330.428 3.332 10 40 EGCB C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)C1 573410 ZJCPGYMEEDXTFE-SHLUWWQESA-N 330.409 3.118 10 40 EGCB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)OC(C)(C)C 8700311 LQKGPNIRNXMQCA-AWEZNQCLSA-N 336.432 3.046 10 40 EGCB in-vitro CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N\c1ccc(Cl)cc1 104204092 PVWSZUQCZGCZPJ-BVGIJJTOSA-N 341.758 3.246 10 40 EGCB Cc1ccsc1/C=C1/C(=O)NC(=S)N(c2ccccc2F)C1=O 4743347 CPAZBAPFTSFXLJ-NTMALXAHSA-N 346.408 3.027 10 40 EGCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 408776498 ZVVYOLRAQKVIMU-GZTJUZNOSA-N 334.375 3.278 10 40 EGCB CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Cl)N(C)C)cc1 5097665 UIXTYABQKFINLH-GOSISDBHSA-N 345.874 3.439 10 40 EGCB COc1ccccc1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O 409133784 RVSHHGICKUNGSM-PTNGSMBKSA-N 338.388 3.096 10 40 EGCB CC(C)[C@@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H]2c1ccccc1 136925599 LDYURYAXCISGAL-MRHSLFKSSA-N 334.379 3.092 10 40 EGCB O=C(CSc1nccs1)Nc1ccc(Br)cn1 48875524 VSUAYJDKNHAPGF-UHFFFAOYSA-N 330.232 3.031 10 40 EGCB Cc1cc(C(=O)CN2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1 12625286 QXYORBWBBMQBNT-IYBDPMFKSA-N 326.440 3.386 10 40 EGCB aggregator Cc1ccc(/C=C2/C(=O)N=C(O)N(c3ccc(C)c(Cl)c3)C2=O)o1 17181087 OHZRROPSBIGXIR-JYRVWZFOSA-N 344.754 3.421 10 40 EGCB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1 7146537 NMZUBQKFZFJDPF-UHFFFAOYSA-N 332.469 3.190 10 40 EGCB CN(C)c1ccc(CN2Cc3cc(Cl)ccc3OCC2=O)cc1 65184403 RMYHORQAHNNLOU-UHFFFAOYSA-N 330.815 3.327 10 40 EGCB O=c1oc2c(CNCc3cccnc3)c(O)ccc2c2c1CCCC2 5352956 NMKOVBDYYOIYNE-UHFFFAOYSA-N 336.391 3.062 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1N1CCOCC1 408904932 QRQTXRXNMGVOLF-CYVLTUHYSA-N 347.418 3.329 10 40 EGCB CCOc1cc2c(cc1/C=C1\C(=O)NN(c3ccccc3)C1=O)CCC2 95471140 XGVPLPSOELDLOP-LDADJPATSA-N 348.402 3.035 10 40 EGCB COc1ccc(CNCc2ccc(OC)c(OC)c2OC)cc1C 48747721 KHNFSVWONGGILI-UHFFFAOYSA-N 331.412 3.319 10 40 EGCB Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 408708603 RCGVAKQAKLAGAS-INIZCTEOSA-N 339.439 3.290 10 40 EGCB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2)C1=O 408871750 WZYZKUKYNHIDRR-NTEUORMPSA-N 340.766 3.315 10 40 EGCB Fc1ccc(CN2CCCN(c3ccc4c(c3)OCCO4)CC2)cc1 4935460 IIESTFHOHPSDIQ-UHFFFAOYSA-N 342.414 3.309 10 40 EGCB CCCCN1C(=O)N=C(O)/C(=C/c2cn(C)c3ccccc23)C1=O 8974283 QVFOXGYGUUVQFV-UVTDQMKNSA-N 325.368 3.281 10 40 EGCB CC[C@H](NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccccc1O 248572231 ROCXAIJDYGTRRQ-CMKODMSKSA-N 332.488 3.201 10 40 EGCB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] 13646512 MEPJYAWIQGVQQA-UHFFFAOYSA-N 339.395 3.433 10 40 EGCB Cn1cccc1/C=C1/SC(Nc2cc(Cl)ccc2O)=NC1=O 5374429 FHRZXBSUVGHCCY-MDWZMJQESA-N 333.800 3.467 10 40 EGCB Cc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097826 GMPWZZFHPQVAQY-LJQANCHMSA-N 325.456 3.094 10 40 EGCB COc1ccc(N2CCN(C(=O)c3ccc4ncccc4c3)CC2)cc1 71120146 GFVOCHORYJLYCC-UHFFFAOYSA-N 347.418 3.206 10 40 EGCB COC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 11648304 LNCBKOUZTYSDQP-UHFFFAOYSA-N 328.393 3.457 10 40 EGCB CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1ccc(C)cc1)O2 5902145 PSEFZTALOJAXRE-SVYNMNNPSA-N 334.379 3.360 10 40 EGCB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 73691 RLATVRWIMQNEFC-UHFFFAOYSA-N 349.408 3.189 10 40 EGCB Cc1cc(CN2CCN(Cc3c(O)ccc4ccccc34)CC2)on1 22243975 QXIHPEOMMDLWSL-UHFFFAOYSA-N 337.423 3.160 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 5965676 HVDIVKIUSAWTNZ-OYGDSYQHSA-N 339.413 3.280 10 40 EGCB CC1=CC2=NC(=O)/C(=C/C=C3/N(C)c4ccccc4C3(C)C)C(=N)N2O1 20517482 HQMCXWVHWKWFSM-XYYBGEGYSA-N 348.406 3.291 10 40 EGCB COc1c(CNCc2ccc(N3CCCC3)cc2)c(C(C)C)nn1C 58391837 YIJDFRHRCGUQPC-UHFFFAOYSA-N 342.487 3.442 10 40 EGCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(F)cc2F)SC1=S 69972885 VTSBRBZFKUKBDM-WDZFZDKYSA-N 343.376 3.031 10 40 EGCB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3O)C2)c(OC)c1 89930407 WCQGVODDLCMPBO-QGZVFWFLSA-N 340.379 3.107 10 40 EGCB COc1cc(N(C)Cc2cn3ccsc3n2)cc(OC)c1OC 78876534 LORHRJHNTKUPLR-UHFFFAOYSA-N 333.413 3.058 10 40 EGCB Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)OCC(C)C 19793995 QQKXFOUOJHCLGF-UHFFFAOYSA-N 347.411 3.092 10 40 EGCB Cc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 5097663 QNQXTQZRFNDLQN-IBGZPJMESA-N 325.456 3.094 10 40 EGCB Cc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)N(C)C2=S)cc1 5968496 GHSFYFUWORAKEU-GXDHUFHOSA-N 342.445 3.230 10 40 EGCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1O 4360842 DJZVPIFLCYKSPO-UHFFFAOYSA-N 343.338 3.420 10 40 EGCB CN(C)c1ccc(CNC(=O)C2(c3ccccc3)CCOCC2)cc1 32712266 JSTSKLZOGWZUEH-UHFFFAOYSA-N 338.451 3.117 10 40 EGCB CC(C)c1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n[nH]1 69696755 HYCZIFFAEGWKQZ-OAHLLOKOSA-N 343.427 3.060 10 40 EGCB COc1ccc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)cc1 58179138 HSWAFJODHDXJIF-CQSZACIVSA-N 330.432 3.085 10 40 EGCB Fc1cc(CNc2ncnc3sccc23)ccc1N1CCOCC1 44976921 XVANSQRWVGYZTB-UHFFFAOYSA-N 344.415 3.279 10 40 EGCB CN(C)/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 18192785 CJZBLACDLAMRMR-FPLPWBNLSA-N 340.330 3.007 10 40 EGCB CC(C)(O)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 4553227 YOUBLMCQVNQCEM-FOCLMDBBSA-N 326.150 3.017 10 40 EGCB CCOC(=O)N1CCN(Cc2cc(C)cc(C(C)(C)C)c2O)CC1 89984744 BSLPIKDXGKFCSZ-UHFFFAOYSA-N 334.460 3.272 10 40 EGCB [N-]=[N+]=NCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 72399388 ZIXZKDFJNXQQIR-UHFFFAOYSA-N 325.284 3.075 10 40 EGCB in-vitro CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc2nccnc2c1 60101642 PRZIEXZOCHOIJC-SFHVURJKSA-N 332.363 3.033 10 40 EGCB CC(=O)Nc1cccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)c1 12550127 RZABAWCPNSBBQB-PDGQHHTCSA-N 334.379 3.364 10 40 EGCB COC(=O)C1=CN(c2cccc(C)c2C)c2ccccc2S1(=O)=O 64979127 XZKWKZWXEFMXNF-UHFFFAOYSA-N 343.404 3.243 10 40 EGCB CCCCN1C(=O)N=C(O)/C(=C/c2ccc3c(c2)CCN3CC)C1=O 6240820 YWXKWAKLQXEUHP-QINSGFPZSA-N 341.411 3.171 10 40 EGCB O=[N+]([O-])c1ccc(O)c(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 89782870 QDYJQBCDOKCQII-ROUUACIJSA-N 346.358 3.449 10 40 EGCB O=C1NC(=S)S/C1=C/c1c(Cl)ccc([N+](=O)[O-])c1Cl 113830413 AXBYXXFHRYXDHJ-XVNBXDOJSA-N 335.193 3.390 10 40 EGCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NC1CC1 5714589 PUEXMMYTUDRXMG-ZRDIBKRKSA-N 326.425 3.435 10 40 EGCB CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)[C@H]2O 14688350 LCAZOMIGFDQMNC-MCNSXXNHSA-N 346.423 3.258 10 40 EGCB endogenous,in-man CCCC1=NN2C(=N)/C(=C\c3ccc(N(C)C)cc3)C(=O)N=C2S1 32109395 RZVWCRIFXQSQIA-ZMFARHBDSA-N 341.440 3.172 10 40 EGCB O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccco1 69591950 JCSGWGIJLWYGQE-UHFFFAOYSA-N 336.338 3.280 10 40 EGCB CN(C)c1ccc([C@@H]2CC(c3cc4ccccc4oc3=O)=NN2)cc1 5334399 LAGXFOQQVBTVPU-KRWDZBQOSA-N 333.391 3.298 10 40 EGCB Cc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)o1 1240600 DSCDAEBOHWEYQR-DHZHZOJOSA-N 330.340 3.399 10 40 EGCB O=c1oc2c(CNCc3ccncc3)c(O)ccc2c2ccccc12 5388817 HOSMIHPLHINGEC-UHFFFAOYSA-N 332.359 3.337 10 40 EGCB COc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Cl 409082247 INNDGEFQUFXFPV-BJMVGYQFSA-N 345.207 3.108 10 40 EGCB Cn1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c2ccccc21 92801 PRSKVINVJWYULV-UHFFFAOYSA-N 325.364 3.322 10 40 EGCB COCCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2)C1=O 409128880 LDWCGGBNSLFKNU-DTQAZKPQSA-N 346.452 3.360 10 40 EGCB COc1ccc([C@H]2CC(c3ccccc3O)=NN2C(C)=O)c(OC)c1 38493609 JEVHCNDRWVVDEM-QGZVFWFLSA-N 340.379 3.107 10 40 EGCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)s1 408844722 FDQMHRNREFRUCL-OQLLNIDSSA-N 340.404 3.340 10 40 EGCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=O)NC2=O)o1 4680649 QDSSPOBUWOXOBT-QPEQYQDCSA-N 329.333 3.277 10 40 EGCB O=C(O)c1cccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)c1 4834540 TWIPVBVDCIVKBB-NTUHNPAUSA-N 342.401 3.186 10 40 EGCB C[C@H](NC(=O)c1ccc(O)c(O)c1)c1nc(-c2cccnc2)cs1 95997797 NGHFFFIRMFRLJQ-JTQLQIEISA-N 341.392 3.107 10 40 EGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(C)cc2)C1=O 408526944 DNCLIFGGCJQAJF-FOWTUZBSSA-N 349.390 3.136 10 40 EGCB Cc1ccc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)o1 19891048 JNIMKNGJTLPZDR-ZWIPKHHJSA-N 339.438 3.289 10 40 EGCB CCc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccccc32)cc1 64979133 RTQWSJIPSPTESD-UHFFFAOYSA-N 343.404 3.189 10 40 EGCB O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccc2c(c1)OCO2 5484331 XETGANRTMYKHKP-AUWJEWJLSA-N 342.401 3.216 10 40 EGCB Cc1ccoc1C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 55530262 CDXRKNBXXRLVQL-OKILXGFUSA-N 346.402 3.271 10 40 EGCB COc1ccc(N2CCN(C(=S)c3cccc(OC)c3)CC2)cc1 7499883 UGBRWLPTIZFYLB-UHFFFAOYSA-N 342.464 3.202 10 40 EGCB CCN1C(=O)/C(=C/C2=Cc3ccc(OC)cc3OC2)SC1=S 96019446 RPBZHJBXIRVJNR-AUWJEWJLSA-N 333.434 3.235 10 40 EGCB CC(=O)Nc1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 18176480 QVEQGXSILYWOOR-PDGQHHTCSA-N 334.379 3.364 10 40 EGCB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)o1 409127235 CCJCWCVNUJYNPV-NTEUORMPSA-N 340.404 3.036 10 40 EGCB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 30419173 RPWPMQWQEKCCIY-UHFFFAOYSA-N 348.443 3.213 10 40 EGCB COc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1OC 225047709 QNTNEVWUYUNWNH-UHFFFAOYSA-N 340.423 3.234 10 40 EGCB Cn1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 5374021 VQPSRFMAWKTHBS-NTUHNPAUSA-N 344.417 3.129 10 40 EGCB O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(Cl)c[nH]1 54035527 BYCSYKWCXASBQV-UHFFFAOYSA-N 335.860 3.151 10 40 EGCB COc1ccc(N[C@H]2SC(=S)N(c3ccccc3)C2=O)cc1 4608461 AKRIKHBDVMUIBZ-AWEZNQCLSA-N 330.434 3.498 10 40 EGCB COc1ccc2c(c1)CCCN2[C@@H](C)c1nc2ccccc2c(=O)[nH]1 9220629 MOQVKLCQOPCDLH-ZDUSSCGKSA-N 335.407 3.446 10 40 EGCB CCCc1cc(=O)oc2c(CN[C@@H](C(=O)O)[C@@H](C)CC)c(O)ccc12 4041701 QUNCZWVRGYTLBS-APPDUMDISA-N 347.411 3.040 10 40 EGCB biogenic COc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cccc1[N+](=O)[O-] 408905061 SNXARSKESKKXQN-RVDMUPIBSA-N 337.335 3.410 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 2407254 HVDIVKIUSAWTNZ-HQQGHWSLSA-N 339.413 3.280 10 40 EGCB O=C(O)CCN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 3570673 WBWMFHLPCJCVFY-POHAHGRESA-N 345.804 3.155 10 40 EGCB Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 408708604 RCGVAKQAKLAGAS-MRXNPFEDSA-N 339.439 3.290 10 40 EGCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1C(F)(F)F 4501956 IUSFFNMADAHVQX-JLHYYAGUSA-N 332.281 3.167 10 40 EGCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(C)CC3)cc2)C1 260559673 NXGZOPXWNXWREE-DLBZAZTESA-N 343.515 3.442 10 40 EGCB Cc1nonc1/N=N/N(Cc1ccccc1Cl)c1nonc1C 4188563 RAEDXJQBTWEEEO-HMMYKYKNSA-N 333.739 3.428 10 40 EGCB COc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)C(O)=NC2=S)cc1 267905 QRZBWSAGQZLCSJ-NTEUORMPSA-N 342.376 3.268 10 40 EGCB CCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1CCC 103917652 VSWHOQPEXIWNNG-VBKFSLOCSA-N 330.388 3.371 10 40 EGCB CCOc1c(/N=N/c2ccccc2[N+](=O)[O-])c(C)nn1C(N)=S 104237542 CURVJQIBCLQSIX-FOCLMDBBSA-N 334.361 3.006 10 40 EGCB O=C(O)c1cc(N2C(=O)/C(=C\c3ccco3)SC2=S)ccc1O 4356920 POCZJMHZDYVIMR-KPKJPENVSA-N 347.373 3.089 10 40 EGCB CCOC(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S 5898035 HEJUAYRNNNXEMF-ACCUITESSA-N 335.450 3.231 10 40 EGCB CCOc1ccc2ccccc2c1/C=C1\SC(NC(C)=O)=NC1=O 409025825 XTRYYEXCERCSEO-YBEGLDIGSA-N 340.404 3.345 10 40 EGCB CC(C)c1nc2ccccc2n1C[C@@H](O)COc1ccc(N)cc1 13565511 HCYHXGBAWQBQAY-OAHLLOKOSA-N 325.412 3.182 10 40 EGCB CC(=O)C(C(C)=O)[C@H](c1ccccc1)C1C(=O)c2ccccc2C1=O 101403581 QDGZWYLMBCKMGQ-SFHVURJKSA-N 334.371 3.260 10 40 EGCB Oc1cc2c(cc1CN1CCN(Cc3cccs3)CC1)CCC2 22019079 ORJAJXNDAMAPCU-UHFFFAOYSA-N 328.481 3.260 10 40 EGCB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3ncccc13)C(=O)C2=O 6760202 FLMOPDSPNGCEHD-UXHICEINSA-N 336.391 3.138 10 40 EGCB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(F)F 20607882 XRVFEZFBWUYQRE-POHAHGRESA-N 331.365 3.176 10 40 EGCB CCCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 409069263 MFLTZINSLIQPAO-SSZFMOIBSA-N 346.452 3.360 10 40 EGCB COc1cc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)ccc1O 382563 MLYIUXBFWRIVTK-PDICVPPASA-N 332.425 3.103 10 40 EGCB O=C1c2ccccc2N[C@@H](c2ccc(O)c(O)c2)N1Cc1ccco1 7112592 ODVFFPFWZRQPKA-GOSISDBHSA-N 336.347 3.458 10 40 EGCB O=C(C1CCCC1)N1CC[C@@H](NCc2cc(Cl)cc(F)c2O)C1 1560395031 ZYHIYPPUZSJMFN-CQSZACIVSA-N 340.826 3.065 10 40 EGCB C[C@H](Sc1nccs1)C(=O)Nc1ccc2c(c1)OCCCO2 52914375 KOSDQNGBDTYDRU-JTQLQIEISA-N 336.438 3.424 10 40 EGCB COc1cc(/C=C2/SC(=S)N(c3cccnc3)C2=O)ccc1O 1269277 DZSDRLYMQDCAPC-RIYZIHGNSA-N 344.417 3.202 10 40 EGCB COc1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)c(OC)c1 18038195 RHNHVWBRQMXIHT-VBKFSLOCSA-N 337.379 3.422 10 40 EGCB CCO[C@H]1C[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C 93605244 QCQYPAWGPYOPNJ-OALUTQOASA-N 332.488 3.159 10 40 EGCB CCOC(=O)c1ccc(NC(=S)NCc2ccccn2)cc1Cl 225330278 VDTDTHDZWDINFX-UHFFFAOYSA-N 349.843 3.398 10 40 EGCB CCN(Cc1ccccc1)c1ccc(/C=C2\NC(=S)NC2=O)cc1 13146262 NSQFHEKUVDCOHL-ATVHPVEESA-N 337.448 3.058 10 40 EGCB Cc1ccc2c(N)c(C(=O)OCC(=O)c3ccc(F)cc3)sc2n1 13575236 KVZJQPHXGNXJTJ-UHFFFAOYSA-N 344.367 3.366 10 40 EGCB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccnc3)NC(=O)CCN21 4182665 SPXSHOYQYPZLDR-DJGBTNNQSA-N 333.435 3.417 10 40 EGCB COc1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 100943029 UORXJWAXSJWLBK-FOWTUZBSSA-N 337.379 3.422 10 40 EGCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc2c(c1)OCO2 15008525 IWCPXUMENRJUAF-VGOFMYFVSA-N 342.401 3.216 10 40 EGCB COc1ccc(N2CCN(Cc3cc(C)c(C)cc3O)CC2)cc1 5939806 RGFJXFFOGJOEMG-UHFFFAOYSA-N 326.440 3.340 10 40 EGCB Cn1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c1 35648643 VQPSRFMAWKTHBS-QPEQYQDCSA-N 344.417 3.129 10 40 EGCB CN(c1ccc(CNC(=O)C2CCNCC2)cc1)C1CCCCC1 195543770 OVBVSKPAWKLGPM-UHFFFAOYSA-N 329.488 3.071 10 40 EGCB O=C1N=C(O)/C(=C\c2cccc(O)c2)C(=O)N1Cc1ccc(F)cc1 33352204 KEOHDHMMVYEXNQ-OQLLNIDSSA-N 340.310 3.034 10 40 EGCB Cc1cc(O)c(CN2CCC(c3nnc4ccccn34)CC2)cc1C 58296662 OUFWBJBKESVXPI-UHFFFAOYSA-N 336.439 3.431 10 40 EGCB CC[C@@H](C)N1C(=O)/C(=C\Nc2ccc(C(C)C)cc2)C(=O)NC1=S 9245526 ZPLFBQVTNPVFLV-DYTQJMLRSA-N 345.468 3.148 10 40 EGCB COc1ccc2ccc(OC)c(C=C3C(=O)OC(C)(C)OC3=O)c2c1 409020397 OVKULZDYKRWJGO-UHFFFAOYSA-N 342.347 3.077 10 40 EGCB COCCCNc1ccc2c3c(cc(=O)n2C)-c2ccccc2C(=O)c13 2115296 WCDMXSHZYNAFCV-UHFFFAOYSA-N 348.402 3.198 10 40 EGCB biogenic CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)OCc1ccccc1 34383012 NNBVAZYHYUBQCU-KGLIPLIRSA-N 346.387 3.418 10 40 EGCB COc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 17068816 QKDQUVLMXAAHJY-UHFFFAOYSA-N 327.428 3.103 10 40 EGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(C)s3)C2=O)c1 408901771 ZXPDFMZONFYGCZ-OQLLNIDSSA-N 340.404 3.340 10 40 EGCB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 6211503 FVWRBOLXEVBVOX-LCYFTJDESA-N 344.417 3.134 10 40 EGCB CC(C)(C)OC(=O)N1CC[C@@H](Oc2ccc(N)cc2)C(F)(F)C1 504823580 ANHQHKVJIALXKL-CYBMUJFWSA-N 328.359 3.292 10 40 EGCB COC(=O)c1sc(NCc2ccc(N(C)C)cc2)nc1Cl 47255405 DHLQPHUDZCJLOW-UHFFFAOYSA-N 325.821 3.261 10 40 EGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1Cl 10906779 DIYSLAOZSLTVMJ-UHFFFAOYSA-N 344.842 3.449 10 40 EGCB CCCC1=NN2C(=N)/C(=C/c3ccccc3OC)C(=O)N=C2S1 4664738 PRADIUKGMBKSMK-HKIAKYDESA-N 328.397 3.114 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3ccccc3OC)CC2)cc1 69657428 IVKYCWNFLOVXFR-UHFFFAOYSA-N 340.423 3.103 10 40 EGCB O=C1Nc2ccccc2/C1=C1\SC(=S)N(Cc2ccco2)C1=O 12562300 UANAQGIEGOTVNF-OUKQBFOZSA-N 342.401 3.003 10 40 EGCB COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 208738408 GKVFGVXDPGVAAF-AQTBWJFISA-N 344.370 3.310 10 40 EGCB CN1C(=O)/C(=C/c2coc3ccc(Cl)cc3c2=O)SC1=S 2325027 ZELVBPDFQCCLQX-WCIBSUBMSA-N 337.809 3.277 10 40 EGCB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 97108729 ZAWXPWVFMYEOMI-NWDGAFQWSA-N 349.814 3.266 10 40 EGCB Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1cccc2ccccc12 408822273 LKCZWIFDCCDIET-BOPFTXTBSA-N 331.375 3.428 10 40 EGCB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 5374042 VSEKXUGNKDYGLQ-PVVKEOSYSA-N 341.479 3.449 10 40 EGCB CCN(CC)CCOc1ccc(/N=N\c2ccc(N)nc2N)cc1 104218827 BYPQUOPSIOBZHA-DQRAZIAOSA-N 328.420 3.382 10 40 EGCB O=C1N[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)Nc2ccccc21 5689672 WSTAFDWQRSVFRV-KRWDZBQOSA-N 338.367 3.049 10 40 EGCB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(C)cc3)CC2)cc1 42047308 SMYPUQYCKIYZCN-KPKJPENVSA-N 336.435 3.366 10 40 EGCB Cc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)n1C 4689199 SRFWDZDDISILEY-HRYODUOUSA-N 336.482 3.022 10 40 EGCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCCOC 103918534 QEXIEIWKJUOWHP-LGMDPLHJSA-N 333.407 3.229 10 40 EGCB Nc1nn2c(=O)c3c([nH]c2c1/N=N/c1ccc(Cl)cc1)CCC3 103674925 SKPKBKRKFUXBET-FMQUCBEESA-N 328.763 3.162 10 40 EGCB CCCN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2C)C1=O 409247418 HEIAPEBBSADDLV-GHRIWEEISA-N 327.428 3.288 10 40 EGCB Fc1cc(CN[C@H]2CCCc3occc32)ccc1N1CCOCC1 66972210 CVEHFHFMMJSRDN-KRWDZBQOSA-N 330.403 3.423 10 40 EGCB Cc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cccc1[N+](=O)[O-] 13670007 YAXHGTGDQOZQMW-UHFFFAOYSA-N 339.395 3.433 10 40 EGCB COc1ccc(CNCc2ccc(N(C)C)c(F)c2)c(OC)c1OC 58191477 KQEMEECIXMKFNT-UHFFFAOYSA-N 348.418 3.207 10 40 EGCB O=C1/C(=C/c2cnn3ccccc23)SC(=S)N1c1cccnc1 96034881 UIHKNJYHMWDDLR-ZSOIEALJSA-N 338.417 3.135 10 40 EGCB COc1ccc(N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 69457614 AVOFPXZWDLRXFE-UHFFFAOYSA-N 325.412 3.486 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)c1ccc(-n2cccn2)nc1 65564917 VZXSZFXZQPTWQI-UHFFFAOYSA-N 336.395 3.025 10 40 EGCB O=C(/C=C/c1cn(Cc2ccccc2)nn1)N1CCCc2ccccc21 14170256 NHQCZMBPWLHWLT-OUKQBFOZSA-N 344.418 3.319 10 40 EGCB COc1ccc(N(CCC(N)=O)Cc2ccc(F)cc2Cl)cc1 15554201 ULKMPNLTAPCLRK-UHFFFAOYSA-N 336.794 3.370 10 40 EGCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccoc2)C(=O)NC1=S 409070485 YKPXDCNBDMWIGA-YRNVUSSQSA-N 346.795 3.073 10 40 EGCB CCOC(=O)C1=C(C)N=C(SCC)N[C@H]1c1ccc(N(C)C)cc1 408990905 OWAPSGRYKCKEOM-INIZCTEOSA-N 347.484 3.343 10 40 EGCB CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@H](n3cccn3)C2)c1 102393265 YZZUSTGJGOYIEQ-INIZCTEOSA-N 329.444 3.429 10 40 EGCB COc1ccc(NC2=NC(=O)/C(=C\c3cccnc3)S2)c(OC)c1 35648048 PBLUREMWRPXSKF-OVCLIPMQSA-N 341.392 3.181 10 40 EGCB CN1CCS/C1=C\C=C1/SC(=S)N(c2ccccc2)C1=O 12417142 FKVQJBHJTZBGNW-AJDRMPRJSA-N 334.491 3.455 10 40 EGCB O=C(NCc1ccc(N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 10113475 NDOLXNOJQIHLNY-UHFFFAOYSA-N 325.368 3.125 10 40 EGCB Cc1ccccc1-n1c(C)cc(C(=O)COC(=O)c2cc[nH]n2)c1C 61218066 ZVPOZMDBYIDOIC-UHFFFAOYSA-N 337.379 3.165 10 40 EGCB CSc1nnc2c(n1)OC(C)=Nc1ccc(Br)cc1-2 15017047 HEIZRRJTCJBKRL-UHFFFAOYSA-N 337.202 3.465 10 40 EGCB O=C(O)c1cc(N2C(=O)/C(=C/c3ccco3)SC2=S)ccc1O 19891119 POCZJMHZDYVIMR-GHXNOFRVSA-N 347.373 3.089 10 40 EGCB Cc1n[nH]c(C)c1/C=C1/CCn2c1nc1cc(Cl)ccc1c2=O 65552644 LNPDSNVHBNOQGS-XFFZJAGNSA-N 326.787 3.334 10 40 EGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)c1 408743019 YNKBBEVSQCHLDR-XNTDXEJSSA-N 340.766 3.315 10 40 EGCB CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 5610779 XSUNEROZTJFDQB-UHFFFAOYSA-N 327.789 3.245 10 40 EGCB COc1ccc(N2CCC(NC(=O)N3CCC[C@H](C)C3)CC2)cc1 69776020 VCICBGRAZZBLFT-HNNXBMFYSA-N 331.460 3.106 10 40 EGCB CC(C)c1onc(C(F)(F)F)c1C(=O)NCc1ccc(O)c(O)c1 1615590256 KSVHYBNSOSCZGU-UHFFFAOYSA-N 344.289 3.158 10 40 EGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C1/C(=O)Nc2ccccc21 16694197 BYRLMLBXPPTGFN-FOCLMDBBSA-N 337.766 3.468 10 40 EGCB COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1O 9188439 MWSDELAWFMMSIR-JYRVWZFOSA-N 347.417 3.395 10 40 EGCB COc1ccccc1NN/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C 5414546 MWBVOARDQJNQOS-VBKFSLOCSA-N 336.395 3.227 10 40 EGCB COc1ccc(NC(=S)NCCN(C)c2ccc(C)cc2)cc1 225795198 TYTADGWOBDVXOT-UHFFFAOYSA-N 329.469 3.426 10 40 EGCB Nc1ccc(OCc2nc(N)nc(N)c2-c2ccc(Cl)cc2)cc1 13283469 IFJTZDLIBOFWRK-UHFFFAOYSA-N 341.802 3.123 10 40 EGCB CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N(C)C)cc1 5097787 RTEDNAIJCVBVPR-GOSISDBHSA-N 345.874 3.439 10 40 EGCB O=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccc(O)cc1 1236450 QOWKVWKLDKVTBD-ZSOIEALJSA-N 329.333 3.044 10 40 EGCB O=C1CCC(=O)c2c1c(O)c(O)c1c2-c2ccc(O)c3c(O)ccc-1c23 14441468 HSKHNTITGMOIAJ-UHFFFAOYSA-N 348.310 3.469 10 40 EGCB biogenic CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(F)cc3)C2=O)cc1 408987901 PICSENSVAKWUBR-WJDWOHSUSA-N 338.338 3.055 10 40 EGCB O=C1C/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1cccc(Cl)c1 9052718 JEFJGTVOIMRNCE-IZZDOVSWSA-N 329.739 3.098 10 40 EGCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCCN(C)C3)cc2)C1 216918065 GNEDOUFTIQJOBS-ZHALLVOQSA-N 343.515 3.442 10 40 EGCB Cc1ccc(CN[C@@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)o1 71825363 UJHZCIPBAINJKB-HNNXBMFYSA-N 331.435 3.330 10 40 EGCB COc1ccc(C2=C/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)O2)cc1OC 200000 LVRDRMWLTHHRPC-XFFZJAGNSA-N 343.291 3.186 10 40 EGCB Cc1cc2cc(NS(=O)(=O)c3cccc4nsnc34)ccc2[nH]1 31721905 DTCAHAMRWUMQGJ-UHFFFAOYSA-N 344.421 3.282 10 40 EGCB Cc1cccc(C)c1NC(=O)CSCC(=O)c1ccc(O)c(O)c1 523032 GMGJJCWFPWBEMW-UHFFFAOYSA-N 345.420 3.269 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3cccc(F)c3)CC2)cc1 69709682 JKSRDXMYDCGHKL-UHFFFAOYSA-N 328.387 3.233 10 40 EGCB COc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc1OC 4247919 BRJHFSUBEVXWDJ-QGZVFWFLSA-N 340.379 3.107 10 40 EGCB COc1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1 96438003 USNJKHGEMYQAGG-UHFFFAOYSA-N 348.450 3.203 10 40 EGCB O=c1c(-c2ccc3c(c2)OCCCO3)coc2c(O)c(O)ccc12 5997832 NJIPHPGCHIGNDN-UHFFFAOYSA-N 326.304 3.033 10 40 EGCB biogenic CC[C@@H](C)NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 5374681 SVEDZMPIVYJCDJ-PEHNMLCRSA-N 334.466 3.046 10 40 EGCB CC1=NN(c2ccccc2)C(=O)[C@H]1Sc1ccc([N+](=O)[O-])cc1 100998478 BOAITPAMGJWPKA-HNNXBMFYSA-N 327.365 3.478 10 40 EGCB COc1ccc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)cc1OC 545865 NGDCZBHYYMIMHJ-YUSFRKCESA-N 346.452 3.406 10 40 EGCB Cc1cc(C(=O)N2CCC[C@@H](n3cccn3)C2)c(C)n1-c1ccccn1 65625671 USVSQVLGKVOOPV-QGZVFWFLSA-N 349.438 3.163 10 40 EGCB Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc1 100702 DENKAGNNYVMEJL-XYOKQWHBSA-N 341.279 3.003 10 40 EGCB CCN1CCN(C(=S)c2ccc(-c3ccc(OC)cc3)o2)CC1 4724017 WUXQFRYIGQWAQI-UHFFFAOYSA-N 330.453 3.268 10 40 EGCB O=C(c1cccc(O)c1O)N1CCC(c2cccc(F)c2F)CC1 225734354 PDRFVYGNHKJZQV-UHFFFAOYSA-N 333.334 3.396 10 40 EGCB CN1CCN([C@H](c2cccs2)c2ccc3cccnc3c2O)CC1 20507277 LZYJKFBBEIHIIQ-SFHVURJKSA-N 339.464 3.339 10 40 EGCB Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(CCC(=O)O)C1=O 16735722 RNYZKMZCWJTBMF-JYRVWZFOSA-N 346.433 3.152 10 40 EGCB CCCN1C(=O)/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)SC1=S 409328743 AOPZVUQLQHMLOM-WQLSENKSSA-N 338.410 3.215 10 40 EGCB O=C(C=C1CCCCC1)NCc1ccc(N2CCC(CO)CC2)cc1 75142358 XSZDZKFXHZUBTM-UHFFFAOYSA-N 342.483 3.402 10 40 EGCB CC(C)(C)/C=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 96454412 DTMDNWCHMJCVDD-RMKNXTFCSA-N 334.435 3.005 10 40 EGCB CN(C)c1ccc(/C=C/C=c2\sc3nc4ccccc4n3c2=O)cc1 185438 KWQJZYFOXOSVDT-FFKCORAPSA-N 347.443 3.188 10 40 EGCB O=C1NN=C(c2ccccc2)/C1=C\Nc1ccc(OC(F)(F)F)cc1 100409154 OYRDRKKJTKIXAX-GXDHUFHOSA-N 347.296 3.415 10 40 EGCB CCOc1c(OC)cc(CNCc2ccc(N(C)C)cc2)cc1OC 64616538 MZFPZQUWVGHVOE-UHFFFAOYSA-N 344.455 3.458 10 40 EGCB O=C1CC2(CCCC2)C(=O)N1c1ccc(O)c(CN2CCCCC2)c1 1568798 WTSAPITVHZANSZ-UHFFFAOYSA-N 342.439 3.202 10 40 EGCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)cc1 1406983 KUEJADYSPIXLLC-XNTDXEJSSA-N 340.404 3.234 10 40 EGCB COC(=O)c1cc2ccccc2c(CN(C)Cc2cscn2)c1O 63127468 BQGIJHVFVVPUNA-UHFFFAOYSA-N 342.420 3.421 10 40 EGCB CCCCN1C(=O)/C(=C\c2cn(C)c3ccccc23)C(=O)N=C1S 6783102 LDVMZYSCILTYLH-UVTDQMKNSA-N 341.436 3.016 10 40 EGCB CC(=O)N1CC[C@H](NCc2ccc(N3CCCCCC3)cc2)[C@@H](C)C1 89937494 WBEGZDSPKJZTFM-UWJYYQICSA-N 343.515 3.414 10 40 EGCB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)NC1=S 9188237 JWZWJVRLTSWLMI-VBKFSLOCSA-N 337.448 3.323 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3ccc(F)cc3F)CC2)cc1 69699023 SEGJEDKLKZXJJS-UHFFFAOYSA-N 346.377 3.372 10 40 EGCB CCN1CCN([C@@H](c2ccccn2)c2ccc3cccnc3c2O)CC1 20192745 KLDOSYORDWQGFL-HXUWFJFHSA-N 348.450 3.062 10 40 EGCB Cc1cc(CNCc2cn(C)nc2-c2ccncc2)ccc1N(C)C 72289940 LEYBSDJNFQBJNJ-UHFFFAOYSA-N 335.455 3.146 10 40 EGCB COc1cccc(/C=C2\Sc3sc(C(C)=O)c(C)[n+]3C2=O)c1O 1637233 NIERRLMMIRCAGA-UHFFFAOYSA-O 348.425 3.048 10 40 EGCB CCN1/C(=C/C=C/C=C2/C(=O)NC(=O)N=C2O)Sc2ccccc21 32703940 ZOQGKXRACSDRCP-RAHVQBMYSA-N 341.392 3.149 10 40 EGCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccco3)SC2=S)c1 19792092 VRPQUHSRDPZSRE-WQLSENKSSA-N 331.374 3.384 10 40 EGCB O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccn1 69485139 CZEPSHYFUAOLEK-UHFFFAOYSA-N 347.365 3.082 10 40 EGCB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(O)cc3)C(=O)N=C2S1 9434343 RCQDZUDSTBAXDU-OTDRQLNTSA-N 328.397 3.057 10 40 EGCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H]3CCCN(C)C3)cc2)CC1 216917733 MNYGSQGRBNXNKG-MJGOQNOKSA-N 343.515 3.442 10 40 EGCB CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccc2)N(C)C)cc1 5097740 KTZHIIYRAKTQQG-HXUWFJFHSA-N 339.483 3.104 10 40 EGCB CCc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)cc1 107971549 QEJWSCIFTAAFQH-GXDHUFHOSA-N 342.445 3.142 10 40 EGCB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N=C3O)c[nH]c12 33899430 URSOZQXCJLVBHE-MDWZMJQESA-N 327.409 3.217 10 40 EGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1 18222337 LINRAJUOEYMHRS-RGEXLXHISA-N 349.390 3.338 10 40 EGCB CCOC(=O)C1=C(C)N=C(SCC)N[C@@H]1c1ccc(N(C)C)cc1 408990907 OWAPSGRYKCKEOM-MRXNPFEDSA-N 347.484 3.343 10 40 EGCB COc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1 41571890 XUTKFLADILEPAU-UHFFFAOYSA-N 347.421 3.015 10 40 EGCB CCOC(=O)c1cn[nH]c1/N=N/c1c(OC)cc(OC)cc1OC 4817977 RZSAJLBHHJNVML-HTXNQAPBSA-N 334.332 3.028 10 40 EGCB O=C(NCCCSc1nccs1)c1cc(F)c(F)c(O)c1F 97112806 SWJVANQKHZULFR-UHFFFAOYSA-N 348.371 3.178 10 40 EGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(O)c1 33752223 XVHVVOHRAXFBBF-WJDWOHSUSA-N 327.380 3.007 10 40 EGCB Oc1ccc(Cl)cc1[C@@H]1C[C@@H](c2ccc(F)cc2)n2nnnc2N1 6669661 IKFLIAGZJDIMMG-KBPBESRZSA-N 345.765 3.318 10 40 EGCB Cc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)s1 71825303 FYAPVCJSNAECRG-UHFFFAOYSA-N 334.460 3.447 10 40 EGCB Cc1ccc(-c2cnc(SCC(N)=O)n2Cc2ccco2)cc1 44085396 ZEAMBNBJKICWNR-UHFFFAOYSA-N 327.409 3.077 10 40 EGCB Cc1cc(O)c(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1C 54471302 OTTDFBODUGTISW-OAHLLOKOSA-N 344.499 3.480 10 40 EGCB COc1cccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)c1 2261515 SZASBUVITJIUMH-ZROIWOOFSA-N 328.418 3.496 10 40 EGCB O=C1/C(=C/c2ccc[nH]2)C(O)=NC(=S)N1c1ccc(Cl)cc1 1301998 TZIACVAYKVLEBG-XYOKQWHBSA-N 331.784 3.340 10 40 EGCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 67979360 SSURBKJORZUFDX-ZIPFOMIPSA-N 343.408 3.475 10 40 EGCB CC1=CC2=NC(=O)/C(=C/c3ccc(OCC(C)C)cc3)C(=N)N2O1 41078306 JLRNGRGVHMVJJZ-OXHXXULQSA-N 325.368 3.172 10 40 EGCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1 224858597 TZXJPTYHLCAVJM-GXDHUFHOSA-N 342.807 3.171 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1cc([N+](=O)[O-])ccc1O 100024393 XCNGWDFBCWBPSX-GXDHUFHOSA-N 338.323 3.019 10 40 EGCB Cc1ccc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 54179232 MORKYXGHGTYMOH-INIZCTEOSA-N 343.496 3.048 10 40 EGCB COc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 4154735 UKRKFKNNCLWIGR-GZTJUZNOSA-N 337.335 3.410 10 40 EGCB COC(=O)C1=CN(c2ccccc2C)c2ccc(F)cc2S1(=O)=O 64979222 OFCTXOYWOQZSNV-UHFFFAOYSA-N 347.367 3.074 10 40 EGCB CC(=O)Nc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1 96288893 LAHAUORNAOYWNO-XNTDXEJSSA-N 329.425 3.148 10 40 EGCB O=C(CN1CCC[C@H](O)C1)Nc1ccc(/N=N/c2ccccc2)cc1 23991883 SJXBVUBZSDINOF-VEGAHXMMSA-N 338.411 3.497 10 40 EGCB Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 20815893 HCDOOJXIFKVWIX-KBPBESRZSA-N 330.403 3.483 10 40 EGCB Cc1cc(C(=O)OCc2cn3ccccc3n2)c(C)n1-c1ccccn1 95949077 KNGGVPMBEWBQMM-UHFFFAOYSA-N 346.390 3.494 10 40 EGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3F)C2=O)c1 408898021 KNZPSWZFSXOUSC-XNTDXEJSSA-N 338.338 3.109 10 40 EGCB COc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)O2)c(OC)c1 4854496 JMATZNKITZWQLY-JXMROGBWSA-N 343.291 3.186 10 40 EGCB COc1ccc(N2N=C(C)/C(=C(\C)NCCCOC(C)C)C2=O)cc1 103916164 BRZIAESLUGQIRJ-JXAWBTAJSA-N 345.443 3.096 10 40 EGCB O=C1NC(=S)S/C1=C/C=C/c1ccc(Br)cc1 983815 PZXQZLCVMLFUIP-XZMAOYBGSA-N 326.240 3.494 10 40 EGCB Oc1ccc(Cl)cc1C1=NN[C@H](c2ccc3c(c2)OCCO3)C1 1463795 YCFLNCCUABHORO-ZDUSSCGKSA-N 330.771 3.256 10 40 EGCB biogenic C[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)C1 309609 NLZMFOJBQKDOBV-RERGGYADSA-N 329.469 3.455 10 40 EGCB O=C1/C(=C/c2cccc(O)c2O)SC(=S)N1Cc1ccco1 16939822 NEERWEXPCFLRSM-GHXNOFRVSA-N 333.390 3.092 10 40 EGCB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 5374048 VSEKXUGNKDYGLQ-IAFAVEBVSA-N 341.479 3.449 10 40 EGCB CC[C@@H](NCc1ccccc1O)c1ccccc1OCC(=O)N(C)C 71792543 ITIOFDVDPLAISX-QGZVFWFLSA-N 342.439 3.100 10 40 EGCB CCO[C@@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C 93605245 QCQYPAWGPYOPNJ-RTBURBONSA-N 332.488 3.159 10 40 EGCB CCN(Cc1cnc(C)nc1)c1ccc(OCCN2CCCC2)cc1 12364722 HKFURFBFIPOQEM-UHFFFAOYSA-N 340.471 3.286 10 40 EGCB COc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 71825308 NWMIDBFFNXULIV-UHFFFAOYSA-N 344.430 3.085 10 40 EGCB COc1ccc(NC2=NC(=O)/C(=C/c3cccc(O)c3)S2)cc1 96663346 WBFNZWYWRXCNCS-GDNBJRDFSA-N 326.377 3.483 10 40 EGCB COc1ccc(N2CCN(C(=O)c3cccc4c3ccn4C)CC2)cc1 36360235 GJCDYXLWIDGLLE-UHFFFAOYSA-N 349.434 3.149 10 40 EGCB CCOC(=O)c1cc(NC(=S)NCc2ccccn2)ccc1Cl 225330228 GFEPQLZNJFUTOX-UHFFFAOYSA-N 349.843 3.398 10 40 EGCB CCOc1ccccc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O 13547136 PLPFUUPGKQVIHW-NWFCWYBLSA-N 349.477 3.466 10 40 EGCB Cc1cccc(-n2cccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 33722103 CSXYFXJPYTZHDB-RGEXLXHISA-N 343.386 3.247 10 40 EGCB CCN(CC)CCOc1ccc(N=Nc2ccc(N)nc2N)cc1 4579037 BYPQUOPSIOBZHA-UHFFFAOYSA-N 328.420 3.382 10 40 EGCB COc1ccc2[nH]c3c(=O)n(Cc4ccc(N(C)C)cc4)cnc3c2c1 502015 BAKWADWOEXXVAN-UHFFFAOYSA-N 348.406 3.001 10 40 EGCB Cc1ccc(C)c(N2C(=O)NC(=O)/C(=C/c3cccs3)C2=O)c1 6167723 MWNNJIZVIVFQCF-LCYFTJDESA-N 326.377 3.031 10 40 EGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2c(s1)CCC2 56198797 VREDAVCJVQPAAJ-UHFFFAOYSA-N 342.464 3.003 10 40 EGCB O=C1c2ccccc2C(=O)c2c1cccc2-n1nnc2ccccc21 4896472 ZRQAKHIGSFKUOK-UHFFFAOYSA-N 325.327 3.196 10 40 EGCB CN1CCCc2cc(CNC(=O)CNc3ccccc3Cl)ccc21 60457218 MNDNEOYSWAXFAU-UHFFFAOYSA-N 343.858 3.451 10 40 EGCB COc1ccc(N2CCCN(C(=O)c3cc(Cl)cn3C)CC2)cc1 65523623 BNODLISOXHUCHA-UHFFFAOYSA-N 347.846 3.040 10 40 EGCB C[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 216924234 CVLMQUMKCAXTFI-MRXNPFEDSA-N 329.488 3.196 10 40 EGCB COc1ccccc1/C=C1/SC(=S)N(CN2CCCCC2)C1=O 27439233 KZPLIZQVFHESMW-RVDMUPIBSA-N 348.493 3.340 10 40 EGCB O=C(O)CN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=S 2414424 DEVMXEUEEMYLLB-NAKBGQTNSA-N 339.825 3.095 10 40 EGCB COc1ccccc1CCNC(=O)c1cc(C)n(-c2ccccn2)c1C 23192390 JVKGDJFALMTADT-UHFFFAOYSA-N 349.434 3.470 10 40 EGCB O=C1N=C(Nc2ccccn2)S/C1=C/c1cnc2ccccc2n1 13687854 GMUFBSKXWFWRFP-NTEUORMPSA-N 333.376 3.107 10 40 EGCB COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc1 33323988 IKKQHDRQBXWMCL-PTNGSMBKSA-N 338.388 3.367 10 40 EGCB Cc1cc(C)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 225957049 LIRNCOMIUNLVGE-UHFFFAOYSA-N 341.484 3.180 10 40 EGCB C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)C[C@@H](C)O1 96346685 VLXIBVNWZXDCMT-RIYDGGSQSA-N 342.873 3.481 10 40 EGCB COc1ccc(CCC(=O)NCc2ccc(N(C)C)cc2)cc1OC 8171275 VWUIHEHIFDDSOC-UHFFFAOYSA-N 342.439 3.019 10 40 EGCB COc1ccc(N(C)CCNC(=S)Nc2cccc(F)c2)cc1 225798112 LOYDTWGGFWMPQX-UHFFFAOYSA-N 333.432 3.257 10 40 EGCB CN(C)c1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 12414024 HAKYJFVGDFGUFB-QTNMRXCUSA-N 348.493 3.133 10 40 EGCB CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2CC)c2ccccc21 18069423 XOPPTERTDOHIPO-SSZFMOIBSA-N 345.402 3.324 10 40 EGCB Oc1ccc(Cl)cc1[C@@H]1C[C@H](c2ccc(F)cc2)n2nnnc2N1 6669662 IKFLIAGZJDIMMG-UONOGXRCSA-N 345.765 3.318 10 40 EGCB O=C1N=C(O)/C(=C/c2nc3ccccc3[nH]2)C(=O)N1C1CCCCC1 8973119 TXOBURLCYAVOGC-BENRWUELSA-N 338.367 3.198 10 40 EGCB Cc1cc(O)c(CN2CCC[C@@H](C(=O)NC3CC3)C2)cc1C(C)C 50900630 OTRCGAJHPXJTBE-OAHLLOKOSA-N 330.472 3.315 10 40 EGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc[nH]2)S1 20226984 ZMCYBNIYTSBNIS-MDWZMJQESA-N 327.365 3.104 10 40 EGCB Cc1ccccc1N1C[C@](O)(c2ccccc2)[N+]2=C1SCCC2 2966065 SQCGQFVETFEGQE-IBGZPJMESA-N 325.457 3.166 10 40 EGCB O=C1N=C(N2CCN3CCC[C@H]3C2)S/C1=C/c1ccc(Cl)cc1 20607844 DNQNEKWKCMCXMI-GWQWUEFDSA-N 347.871 3.090 10 40 EGCB COc1ccc(N2CCC(NC(=O)N3CCC(C)CC3)CC2)cc1 69739869 UQUHYEAOVUDLJZ-UHFFFAOYSA-N 331.460 3.106 10 40 EGCB CC[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)C 66382867 QVAKKGZROJAVNJ-LJQANCHMSA-N 347.503 3.129 10 40 EGCB CN(C)c1ccc(CNC(=O)Cc2coc(-c3ccccc3)n2)cc1 32210453 LJWIXKXHEIOBBI-UHFFFAOYSA-N 335.407 3.267 10 40 EGCB Cn1cccc1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O 2333405 SIPBRPUXOIRLKJ-UKTHLTGXSA-N 344.417 3.129 10 40 EGCB COc1ccc(N/C=C2/C(=O)N(c3nc4ccccc4[nH]3)N=C2C)cc1 100178968 MKYPAGXMARIHSB-RVDMUPIBSA-N 347.378 3.290 10 40 EGCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Cl)cc(Cl)c1O 58865900 NJKFLJAAMGFTDV-UHFFFAOYSA-N 343.162 3.453 10 40 EGCB Cc1cc(C(=O)N2CCC[C@H](n3cccn3)C2)c(C)n1-c1ccccn1 65625668 USVSQVLGKVOOPV-KRWDZBQOSA-N 349.438 3.163 10 40 EGCB CC[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(C)C 66382865 QVAKKGZROJAVNJ-IBGZPJMESA-N 347.503 3.129 10 40 EGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 15930668 SUQOJSLVGPDZOH-YBEGLDIGSA-N 339.326 3.242 10 40 EGCB Cc1cc(O)c(CN2CCCc3c2cccc3S(C)(=O)=O)cc1C 58403904 KLLRPYBSSUHOHR-UHFFFAOYSA-N 345.464 3.365 10 40 EGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cccc(Cl)c1 408893967 PCTHKDAQKBBUQR-PTNGSMBKSA-N 349.814 3.049 10 40 EGCB COc1ccccc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 71825310 TUYCZMZKGGGNQR-UHFFFAOYSA-N 344.430 3.085 10 40 EGCB O=C(O)CN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 1013868 YYRLVKBVJKUTJD-YWEYNIOJSA-N 348.232 3.279 10 40 EGCB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1ccc(N(C)C)cc1 5979535 AAQLSAZERGAYCC-INIZCTEOSA-N 347.484 3.295 10 40 EGCB Oc1cc2c(cc1[C@H](Nc1ncccn1)c1ccc(F)cc1)OCO2 1586978 KSLFZSPCZHXEAP-QGZVFWFLSA-N 339.326 3.252 10 40 EGCB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N1 59105559 UIFKRBZWNMXGKO-UHFFFAOYSA-N 334.690 3.329 10 40 EGCB Cc1cc(C)cc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c1 409020346 OGLZFUJXDOQFFJ-NTEUORMPSA-N 342.445 3.196 10 40 EGCB Cc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)on1 12422532 LEDQJNLTWYUFED-UHFFFAOYSA-N 332.315 3.011 10 40 EGCB Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc(N2CC=CC2)cc1 101236052 PEGWMPURIUOSMG-ZDUSSCGKSA-N 325.412 3.088 10 40 EGCB COc1cccc(-n2c(C)cc(C(=O)NC[C@@H]3CCCOC3)c2C)c1 58425993 OZIBLMHGKGJMCE-INIZCTEOSA-N 342.439 3.259 10 40 EGCB CC1=C[C@H](OC(C)(C)C)[C@@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@@H]2C1 4568175 KQBFSZVDTUWIAF-DDTOSNHZSA-N 330.380 3.243 10 40 EGCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H]3CCCN(C)C3)cc2)CC1 216917757 MNYGSQGRBNXNKG-HKUYNNGSSA-N 343.515 3.442 10 40 EGCB CCN(CC)c1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)c(O)c1 7365674 QRUIWBBOIUIYEF-ZSOIEALJSA-N 349.412 3.148 10 40 EGCB Cc1ccc(C)c(N2C[C@@](O)(c3ccccc3)[N+]3=C2SCCC3)c1 3912336 NGNXHSSXHPSNIQ-HXUWFJFHSA-N 339.484 3.474 10 40 EGCB O=C(NC1CCCC1)C1CCN(Cc2cc(Cl)ccc2O)CC1 819226 KMECYVFMELEMPW-UHFFFAOYSA-N 336.863 3.316 10 40 EGCB COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)ccc1O 1214774 UJKIOYKLTHUNKL-RIYZIHGNSA-N 347.417 3.395 10 40 EGCB Cc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)c(C)n1C 409139957 CNDNZTPCQGBXSE-GDNBJRDFSA-N 339.420 3.042 10 40 EGCB Cc1ccc(/N=N/c2c(N)nn(C(=O)c3ccccc3N)c2N)cc1 100643959 IUJCAOAQQYTIAT-QURGRASLSA-N 335.371 3.042 10 40 EGCB CN1C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3)o2)C(=O)N(C)C1=O 4372465 CBODRIABFROOBV-UHFFFAOYSA-N 344.754 3.034 10 40 EGCB CC(C)(C)c1ccccc1NS(=O)(=O)c1cccc2nonc12 14256384 JRNYPCQYKURTLI-UHFFFAOYSA-N 331.397 3.321 10 40 EGCB CCc1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3O)C2=O)cc1 38162706 VFESEMDEAOKQDR-PTNGSMBKSA-N 336.347 3.461 10 40 EGCB COc1ccc(N2CCN(c3nnc(C(C)(C)C)s3)CC2)cc1 301709587 DAUIPRDCRRZNIY-UHFFFAOYSA-N 332.473 3.171 10 40 EGCB CN(C)[C@@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O 101090824 FVMHJJLLSITNQV-JHBCHSCWSA-N 340.383 3.445 10 40 EGCB COc1ccc(N2CCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102412102 GNIJOPCTUDBYPX-YESZJQIVSA-N 328.456 3.170 10 40 EGCB Cc1cccc(C(C)C)c1NS(=O)(=O)c1cccc2nonc12 14257184 WMKBMGUCLLIACT-UHFFFAOYSA-N 331.397 3.455 10 40 EGCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3CCN(C)CC3)cc2)C1 216924280 NXGZOPXWNXWREE-IAGOWNOFSA-N 343.515 3.442 10 40 EGCB CN1CCCc2cc(CNC(=O)CSCc3ccccn3)ccc21 58289346 ODDGKEITHHXZAM-UHFFFAOYSA-N 341.480 3.014 10 40 EGCB C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)o1 13036141 IDHAZNBHSYMWNT-UWYHPKGXSA-N 337.422 3.079 10 40 EGCB O=C(COC(=O)c1cc(O)cs1)Nc1cc(Cl)ccc1F 69592186 DGOZZCKZUMRFJV-UHFFFAOYSA-N 329.736 3.042 10 40 EGCB CC[C@H](NCc1cnn(C)c1C)c1cc(Br)ccc1O 156955387 GDSYGQJFIQGBDD-AWEZNQCLSA-N 338.249 3.438 10 40 EGCB Cn1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)c2ccccc21 544583 VDMRKNPVMNMRBV-UHFFFAOYSA-N 333.343 3.361 10 40 EGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(O)c1 409002400 UKHZQTBPUPICMU-ATVHPVEESA-N 335.359 3.269 10 40 EGCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccc(Cl)cc1Cl 112865 KSIFCLGHKPHRCR-WDZFZDKYSA-N 326.179 3.296 10 40 EGCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S 8558448 PZOLGRSYIDNJCY-RIYZIHGNSA-N 346.433 3.054 10 40 EGCB Cn1cccc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccc(N)cc1 18194745 MYYXUGSAJXPPBF-XMHGGMMESA-N 342.402 3.442 10 40 EGCB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(N3CCCCC3)cc2)N1 7127085 QRJWICZIBWXUCM-GOSISDBHSA-N 346.438 3.123 10 40 EGCB COc1ccccc1N1C(=O)/C(=C\c2ccc(C)o2)C(O)=NC1=S 1261212 SKUYXXUCHQCAJL-XFXZXTDPSA-N 342.376 3.268 10 40 EGCB Fc1ccccc1NC(=S)NCc1ccc(N2CCOCC2)cc1 53535769 YPMXRKUBSZPITQ-UHFFFAOYSA-N 345.443 3.149 10 40 EGCB COc1ccc(N2CCN(C[C@H](O)c3ccc(C)cc3C)CC2)cc1 65255259 AJHMJOYIXVDZAP-NRFANRHFSA-N 340.467 3.168 10 40 EGCB Cc1ccc(CN(C)Cc2cc(=O)oc3cc(O)c(O)cc23)c(C)c1 95385609 ZBTSULZGINGVHN-UHFFFAOYSA-N 339.391 3.453 10 40 EGCB COc1ccc(N2CCC(NC(=O)CCc3cccs3)CC2)cc1 69950430 XFJNEYIHDJJDKX-UHFFFAOYSA-N 344.480 3.475 10 40 EGCB COc1ccc(N2CCN(CC(=O)c3ccccc3Cl)CC2)cc1 67206145 JKDIJZQKLJSBDT-UHFFFAOYSA-N 344.842 3.354 10 40 EGCB CCOC(=O)C(=O)Nc1ccc2nc3ccc4ccccc4c3nc2c1 408975503 MHSYDUFFMIDJJR-UHFFFAOYSA-N 345.358 3.438 10 40 EGCB O=C(Nc1cccnc1)N(Cc1ccccc1O)C[C@H]1CCCO1 44972853 UOLMTRIJKPTIPA-MRXNPFEDSA-N 327.384 3.000 10 40 EGCB Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 4113193 BLCYPFMIQDFJGV-UHFFFAOYSA-N 343.299 3.291 10 40 EGCB Cc1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1C 199180 DYTIONWLDVSGHI-CXUHLZMHSA-N 325.437 3.056 10 40 EGCB CN(C)c1ccc(CNC(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1 48310878 LDXHXTLICYLYDV-UHFFFAOYSA-N 348.397 3.419 10 40 EGCB COCCNCc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1O 8765216 KECXQWXLJJPVCH-UHFFFAOYSA-N 339.391 3.210 10 40 EGCB biogenic CCn1cc(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)cn1 66252999 TYIIRJZRWQAQPT-UHFFFAOYSA-N 348.453 3.136 10 40 EGCB CCOc1cccc(CN[C@H](c2ccccc2)c2nccn2C)c1O 71792511 LNNPDHALDGLKMA-GOSISDBHSA-N 337.423 3.404 10 40 EGCB CCCN1C(=O)/C(=C\c2coc3ccccc3c2=O)SC1=S 409375415 KLSVICSNLLOBSQ-MDWZMJQESA-N 331.418 3.404 10 40 EGCB O=C1/C(=C\N2CCCCC2)SC(=S)N1CCc1ccccc1 36613130 YNOYDMNKBRWZKN-FYWRMAATSA-N 332.494 3.417 10 40 EGCB COc1ccccc1NC1=NC(=O)/C(=C\c2ccc(O)cc2)S1 35644245 WXHGRJQLNMRIAB-XNTDXEJSSA-N 326.377 3.483 10 40 EGCB CCOc1ccccc1NC(=S)NNc1nc2ccccc2[nH]1 3357029 SVMTZKFPTCBYHQ-UHFFFAOYSA-N 327.413 3.275 10 40 EGCB O=S(=O)(Nc1ccc(O)cc1)c1ccccc1OC(F)(F)F 95348661 PFEJRXCOBZJCRY-UHFFFAOYSA-N 333.287 3.092 10 40 EGCB CC(=O)Oc1cccc2c(C(=O)C=[N+]=[N-])cc(-c3ccccc3)nc12 5014790 DJYYBYAPZYVREF-UHFFFAOYSA-N 331.331 3.310 10 40 EGCB Cc1ccc([C@]2(O)CN(c3ccccc3C)C3=[N+]2CCCS3)cc1 2966054 UUYARAHJJRZQGN-HXUWFJFHSA-N 339.484 3.474 10 40 EGCB COc1ccccc1N[C@@H]1SC(=S)N(c2ccccc2)C1=O 4598786 QIUDXBWKAKGLJH-CQSZACIVSA-N 330.434 3.498 10 40 EGCB CC(C)CNC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 95480872 IWMPTBPUBISZJR-UHFFFAOYSA-N 346.386 3.101 10 40 EGCB COc1cc(/C=C2\SC(Nc3ccccc3O)=NC2=O)ccc1O 12338871 NIIMCGPWLIQTOH-DHDCSXOGSA-N 342.376 3.189 10 40 EGCB CCCOC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1809426 UWKYAEWKSOALJA-NHZNEZGNSA-N 347.461 3.397 10 40 EGCB O=C1N=C(NC2CCCCC2)S/C1=C\c1ccc(C(=O)O)cc1 8342183 UGRQQQOUUPOAHQ-UVTDQMKNSA-N 330.409 3.277 10 40 EGCB CN1CCCc2cc([C@@H](CNC(=O)C3CC3)N3CCCCC3)ccc21 9137582 ISEWVAVXIPDWIT-HXUWFJFHSA-N 341.499 3.122 10 40 EGCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc2ncccc2c1 409195015 SHJHECYUSWFCLS-WOJGMQOQSA-N 346.390 3.165 10 40 EGCB CCOc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2CCOC)c1 45793946 XVUIZLKXWZIDRT-GOSISDBHSA-N 342.395 3.004 10 40 EGCB O=C1N=C2SC=C(c3ccccc3)N2C(=O)/C1=C\c1ccccc1O 522583 DGUSZDPDIRFPKO-UVTDQMKNSA-N 348.383 3.246 10 40 EGCB COc1cccc(/C=C2\SC(NC3CCCC3)=NC2=O)c1OC 21313772 RVCLAFZRIDFLSU-UVTDQMKNSA-N 332.425 3.206 10 40 EGCB CC[C@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccccc1O 71898373 DSYCMCSZZGGBSF-INIZCTEOSA-N 349.390 3.146 10 40 EGCB C[C@@H](NCc1cccc2c1OCO2)c1ccc(N2CCOCC2)cc1 71831073 DJYXVPWTQNELJF-OAHLLOKOSA-N 340.423 3.103 10 40 EGCB CCc1nc(C)ncc1C(=O)N(CC)Cc1ccc(N(C)C)cc1 95450281 HBHSLGIBMDZRQE-UHFFFAOYSA-N 326.444 3.076 10 40 EGCB O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccc(F)cc1 57690207 RGXQZONTCCLTKD-UHFFFAOYSA-N 335.385 3.145 10 40 EGCB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccc2nonc12 215298 AOWLNMZJZUDSOM-UHFFFAOYSA-N 343.286 3.042 10 40 EGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1OC 106134927 JJUVOGANLSGWHB-WJDWOHSUSA-N 343.423 3.414 10 40 EGCB COc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1OC 3375708 JANKKHPQCFCXKN-XNTDXEJSSA-N 332.425 3.206 10 40 EGCB CCN(CC)c1ccc(CNC(=O)COc2ccc(OC)cc2)cc1 225131124 VTOXFUJYEKKONT-UHFFFAOYSA-N 342.439 3.237 10 40 EGCB CCN1CCN(CC(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 22461921 WZTCSVBVYOCSFB-UHFFFAOYSA-N 343.446 3.053 10 40 EGCB CCCc1ccc(S(=O)(=O)Nc2ccc(O)c(NC(C)=O)c2)cc1 12536096 DUMLZRKUFJYNDO-UHFFFAOYSA-N 348.424 3.104 10 40 EGCB COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1 71835027 XFCUYSHTBIFYJM-ZWKOTPCHSA-N 340.423 3.131 10 40 EGCB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S 1107592 PZOLGRSYIDNJCY-ZSOIEALJSA-N 346.433 3.054 10 40 EGCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccco1 16161002 MTLSFNWXJWBOOF-WQLSENKSSA-N 330.727 3.437 10 40 EGCB COC(=O)c1ccc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc1 96669691 MQWIVMFUBYLIOK-RVDMUPIBSA-N 344.436 3.366 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)NCc1ccc2c(c1)OCO2 69700684 JOGCHYSYWYHHLT-UHFFFAOYSA-N 342.395 3.243 10 40 EGCB COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1cc(Cl)ccc1O)N2 30539547 SCEBSEYGUWITFN-MRXNPFEDSA-N 348.786 3.259 10 40 EGCB Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)on1 11693214 MQCGDNMGHLFLFQ-UHFFFAOYSA-N 332.315 3.011 10 40 EGCB O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccccc2)o1 264052 JCTXGDLONGMRBV-FOWTUZBSSA-N 340.404 3.249 10 40 EGCB COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](C)O[C@H](C)C3)c2C)cc1 23055397 XQMYCOOIKMMUBA-GASCZTMLSA-N 342.439 3.352 10 40 EGCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1277063 CTXDNVNQCLJPHB-XFFZJAGNSA-N 341.841 3.104 10 40 EGCB Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc2c(c1)OCO2)C3 2117748 BLFQIHQYYQJTKG-UHFFFAOYSA-N 337.331 3.187 10 40 EGCB biogenic CN(C)c1ccc(CNC(=O)c2cncn2-c2ccccc2)cc1F 58731786 ICKICTHCJZKWDL-UHFFFAOYSA-N 338.386 3.007 10 40 EGCB CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC1=S 16405002 SJZHVMQOFSHBKO-UXBLZVDNSA-N 328.802 3.469 10 40 EGCB C[C@@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 216917950 OWHXCSLWVHSXHX-SJLPKXTDSA-N 329.488 3.196 10 40 EGCB COc1ccc(C(=O)c2coc3ccc(O)c(CN(C)C)c23)cc1 105837 HCVIRQAHQORRAA-UHFFFAOYSA-N 325.364 3.440 10 40 EGCB Nc1ccc(NC(=O)c2cccc(I)c2)cc1 290814 DMEWXUVINQOZAX-UHFFFAOYSA-N 338.148 3.126 10 40 EGCB CN1CCN(C(=O)/C=C/c2ccc(N(C)C)cc2)[C@@H](c2ccccc2)C1 32841687 JDBOOFIAJSWWPF-QGFLDLQWSA-N 349.478 3.281 10 40 EGCB CCOc1ccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OC)cc1 58883803 YHINYTIECVRXKU-BOPFTXTBSA-N 343.423 3.414 10 40 EGCB O=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1c[nH]cn1 78824668 SHXKLRZYQOHYGX-UHFFFAOYSA-N 346.846 3.049 10 40 EGCB COc1ccc2nc(C(=O)NCc3ccc(N(C)C)cc3)ccc2c1 26073642 KWLYQVPRCWIVNK-UHFFFAOYSA-N 335.407 3.239 10 40 EGCB CCCC[C@H](NCc1c(O)ccc2c(CCC)cc(=O)oc12)C(=O)O 35686313 SWCREEAZBGSOCD-HNNXBMFYSA-N 347.411 3.184 10 40 EGCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1 1465864 OBQPPMYJVOKFAX-UKTHLTGXSA-N 342.401 3.186 10 40 EGCB O=C(NCc1ccccc1)c1nc(-c2ccc(-n3cccc3)cc2)no1 4623115 ZFSLIHOIBNUWIM-UHFFFAOYSA-N 344.374 3.457 10 40 EGCB CCO[C@@H]1C[C@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C 93605243 QCQYPAWGPYOPNJ-RBUKOAKNSA-N 332.488 3.159 10 40 EGCB Cc1ccc(/C=C2/SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)o1 4291540 JNIMKNGJTLPZDR-LAPSENCUSA-N 339.438 3.289 10 40 EGCB CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@H](n3cccn3)C2)c1 102393267 YZZUSTGJGOYIEQ-MRXNPFEDSA-N 329.444 3.429 10 40 EGCB O=C(c1ccccc1)c1ccccc1NC(=S)NC[C@H]1CCCO1 2779584 DSGWOIWUPVBSNM-OAHLLOKOSA-N 340.448 3.383 10 40 EGCB Cc1cc(C)nc(NNC(=S)Nc2ccc(OC(F)F)cc2)n1 3277861 JWCMRJHQUXURRE-UHFFFAOYSA-N 339.371 3.008 10 40 EGCB CN(C)c1nc2sc(C(=O)NCc3ccccc3O)cc2s1 83855431 YJTRKJFJSNSAIB-UHFFFAOYSA-N 333.438 3.059 10 40 EGCB Cc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)s1 409080690 JCJKHNPOXYFUOI-BZPKPHBRSA-N 325.480 3.437 10 40 EGCB CCc1nnc(S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)O)[nH]1 7342618 DMFYDMRBYHGLBH-SDNWHVSQSA-N 344.440 3.185 10 40 EGCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c1 13343543 VATYYYGHBSIZSQ-LCYFTJDESA-N 335.450 3.369 10 40 EGCB Cc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097825 GMPWZZFHPQVAQY-IBGZPJMESA-N 325.456 3.094 10 40 EGCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O 33395913 FDHWBIOMJMFEHN-MDWZMJQESA-N 349.173 3.160 10 40 EGCB CC(=O)N1CC[C@@H](NCc2ccc(N3CCCCCC3)cc2)[C@H](C)C1 89937496 WBEGZDSPKJZTFM-DYESRHJHSA-N 343.515 3.414 10 40 EGCB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1O 409328614 YTXURQAAKJOJBA-UXBLZVDNSA-N 329.830 3.275 10 40 EGCB Cc1ccc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)c(C)c1 409128743 GQEVJRRFUHONHV-MDWZMJQESA-N 342.445 3.196 10 40 EGCB CCc1cccc(CC)c1NS(=O)(=O)c1cccc2nonc12 14255593 ZGIPPACKSWTMOS-UHFFFAOYSA-N 331.397 3.148 10 40 EGCB COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1[N+](=O)[O-] 4808656 JQZATGHGFCWJRP-GDNBJRDFSA-N 337.335 3.410 10 40 EGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)cc1F 21963235 WGMALVNPSYSUJB-UHFFFAOYSA-N 346.377 3.074 10 40 EGCB CN(Cc1ccccc1O)C(=O)c1c[nH]nc1-c1ccc(F)cc1 42117135 MPAHFIAUMCNRMD-UHFFFAOYSA-N 325.343 3.194 10 40 EGCB Cc1cc(C(=O)Nc2ccc(N(C)C)nc2)c(C)n1-c1ccccn1 78585926 AGEFKJZHMUZKSO-UHFFFAOYSA-N 335.411 3.202 10 40 EGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3cccnc3)S2)cc1 35648161 JSYXBJDYVZOQTO-OQLLNIDSSA-N 338.392 3.122 10 40 EGCB CN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S 5127502 VVQFMDVUUZPVCW-UKTHLTGXSA-N 345.405 3.217 10 40 EGCB CN1C(=O)C(=Cc2ccc(SC3CCCCC3)o2)C(=O)N(C)C1=O 13574568 DUHFFCYDLWNYJY-UHFFFAOYSA-N 348.424 3.138 10 40 EGCB Fc1cccc2c1CC[C@@H]2NCc1ccc(N2CCOCC2)cc1 71837173 RSMCYYCHPHMNKP-FQEVSTJZSA-N 326.415 3.439 10 40 EGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc(F)c1 21871265 GHSFSVONYYNSRY-UHFFFAOYSA-N 336.432 3.103 10 40 EGCB CCN1C(=O)/C(=C2\C=Cc3cc(OC)ccc3N2C)SC1=S 973254 NMZABWNMJRUGQG-YPKPFQOOSA-N 332.450 3.250 10 40 EGCB COc1ccc(N2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)cc1 9341161 WEESLLSTBPGZAH-UHFFFAOYSA-N 335.407 3.139 10 40 EGCB CC(=O)N1CC[C@@H](NCc2ccc(N3CCCCC3)cc2)[C@H](C)C1 84714884 PLEWMJQRXFZMCP-OXQOHEQNSA-N 329.488 3.023 10 40 EGCB CC(=O)N1C[C@@H](C)CN(C(=O)/C=C/c2cccnc2)c2ccccc21 78935502 PANVGWZYGSZEDH-BOLDSZDNSA-N 335.407 3.131 10 40 EGCB COc1cccc(NC(=S)NCCN(C)c2ccc(C)cc2)c1 225795165 ZENHHQQUDFYZRF-UHFFFAOYSA-N 329.469 3.426 10 40 EGCB O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1ccccn1 19118593 GJCCEKOJZYXYHZ-JLHYYAGUSA-N 327.434 3.352 10 40 EGCB Cn1cccc1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O 13776945 SIPBRPUXOIRLKJ-LCYFTJDESA-N 344.417 3.129 10 40 EGCB C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)C[C@@H](C)O1 4676785 JBFRKTYSNJDQCQ-QOWMEECXSA-N 336.844 3.420 10 40 EGCB COc1ccc(N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)cc1 35898243 XNBVNOVLRKSDAJ-UHFFFAOYSA-N 349.434 3.181 10 40 EGCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Cl)cc1Cl 12436991 CUHFGIODLPWTBZ-GHXNOFRVSA-N 343.235 3.296 10 40 EGCB COc1ccc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1 72331349 UOSKHUVQJLBDQW-UHFFFAOYSA-N 328.387 3.105 10 40 EGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(C)cc1 59435750 YEIZHUOYJWDNFM-BOPFTXTBSA-N 337.375 3.461 10 40 EGCB O=C1NC(=S)S/C1=C/C(Br)=C/c1ccccc1 100927255 VAKJLUDZHDMEAC-PCCLLEMOSA-N 326.240 3.454 10 40 EGCB CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc(O)c(O)c4oc23)O1 14560090 FSTNFJKGRSHPBO-UHFFFAOYSA-N 326.304 3.247 10 40 EGCB biogenic,in-vitro Cc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)cc1Cl 409228049 SWSKNLOATFHFGH-XYOKQWHBSA-N 346.795 3.073 10 40 EGCB CNC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccccc1 44086276 JFFQBTFMCPCSGS-UHFFFAOYSA-N 337.448 3.437 10 40 EGCB CCOc1cccc(CN[C@H](C)c2ccc(-n3cncn3)cc2)c1O 69518085 XYHADIVLDJYWLO-CQSZACIVSA-N 338.411 3.222 10 40 EGCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)C)cc2)NC1=S 101400653 JWZWJVRLTSWLMI-FOWTUZBSSA-N 337.448 3.323 10 40 EGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)NC1=S 409008264 XKXJDSVPRXYVND-YBEGLDIGSA-N 343.427 3.311 10 40 EGCB Cc1cccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2SCCC3)c1C 425726 BEWKYCOQFMWOKQ-HXUWFJFHSA-N 339.484 3.474 10 40 EGCB COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2C)cc1 23055399 XQMYCOOIKMMUBA-HUUCEWRRSA-N 342.439 3.352 10 40 EGCB O=C(CC1CCCCC1)NCc1ccc(N2CCOCC2)c(F)c1 55522515 FDVKSQXFPBYZDZ-UHFFFAOYSA-N 334.435 3.249 10 40 EGCB O=C(/C=C/c1ccncc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 95434336 UKKFJUORNIFKEG-DVBCCOPCSA-N 338.407 3.008 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc(F)ccc1F 78521313 KKFLBBBXEMLEKG-UHFFFAOYSA-N 333.382 3.372 10 40 EGCB Cc1ccc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 41084259 JCDCQDDVTURYMW-PYDVBCTCSA-N 347.403 3.057 10 40 EGCB CCOc1cc2c(cc1OCC)[C@@H](c1cccc(OC)c1O)NCC2 34587 YLSVTPWSJHSAGE-LJQANCHMSA-N 343.423 3.433 10 40 EGCB biogenic,in-vitro CN1CCN(C2=NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)CC1 306540 KLTPZWVHSBTYCU-SSZFMOIBSA-N 343.496 3.202 10 40 EGCB CCS(=O)(=O)c1ccc2oc(CSc3nccs3)nc2c1 89274622 VGTAOLDCMUNCDY-UHFFFAOYSA-N 340.451 3.370 10 40 EGCB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1C 33385770 RWICPLCUBBCTFF-XNTDXEJSSA-N 329.400 3.277 10 40 EGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cl)s2)C1=O 4739700 JNVLKLWJXUKIFC-DHZHZOJOSA-N 346.795 3.376 10 40 EGCB COc1ccc(N(C)Cc2nnc(-c3ccccc3)n2C)c(OC)c1 95434279 NBNSUSBYLKAAMK-UHFFFAOYSA-N 338.411 3.136 10 40 EGCB Cc1cccc(-n2c(C)cc(C(=O)OCc3nc(C)no3)c2C)c1 22743176 PNEGGHWPSMWWHN-UHFFFAOYSA-N 325.368 3.451 10 40 EGCB CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 10963262 LFJYBBSDHOPXJC-UHFFFAOYSA-N 339.439 3.480 10 40 EGCB Cc1cc(/N=N/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c(N)cc1N 16268085 ZQOQTVZVXAHHAW-WUKNDPDISA-N 332.276 3.097 10 40 EGCB O=C(CSc1nccn1Cc1ccccc1)c1ccc(O)c(O)c1 26042844 OBRAOSGJSQKITO-UHFFFAOYSA-N 340.404 3.318 10 40 EGCB CN1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)C(=O)NC1=S 408913192 UBZLDNNNVWWAKY-GZTJUZNOSA-N 346.411 3.250 10 40 EGCB COc1ccc(OC)c(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)c1 457555 HIWNNXHGUUWDCK-KPENOIPVSA-N 346.452 3.406 10 40 EGCB O=C1N=C(NC2CCCC2)S/C1=C\c1cnn(-c2ccccc2)c1 26762510 HQLXAISYYUNQJQ-YBEGLDIGSA-N 338.436 3.375 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)c1cnn2c(C)cc(C)nc12 66096494 NADRONNQWLPAME-UHFFFAOYSA-N 338.411 3.104 10 40 EGCB COc1ccc(NC(=S)NCCN(C)c2ccc(OC)cc2)cc1 225797617 SLWWRLORCIOUIH-UHFFFAOYSA-N 345.468 3.127 10 40 EGCB COc1ccc([C@H](CN(C)C)NCc2ccc3c(c2)CCO3)cc1 330031986 GWZYXRIRDNFKOD-IBGZPJMESA-N 326.440 3.023 10 40 EGCB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=S)NC2=O)o1 1180460 OYNKFXBZEGBQQM-NTUHNPAUSA-N 345.401 3.442 10 40 EGCB COC(=O)C1=CN(c2ccc(Cl)cc2)c2ccccc2S1(=O)=O 64979157 IFROLOMGZSCDQQ-UHFFFAOYSA-N 349.795 3.280 10 40 EGCB COc1ccccc1N1C(=O)N=C(O)/C(=C\c2ccsc2)C1=O 17029050 ZUVYDHBNOGOQSK-DHZHZOJOSA-N 328.349 3.263 10 40 EGCB CC[n+]1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 6711266 KKROMADDWWBTNM-UFSNDUKISA-O 348.470 3.021 10 40 EGCB COc1cc2c(cc1/C=C1\C(=O)N(c3ccccc3)N=C1C)OCO2 408965334 KHSRSSMHRGUDJZ-NVNXTCNLSA-N 336.347 3.230 10 40 EGCB Cc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cn1 3509864 GAXXLLLEPGGBLZ-UHFFFAOYSA-N 349.390 3.232 10 40 EGCB Cc1cc(C(=O)NCCc2ccc(O)cc2)c(C)n1-c1ccccn1 65102468 GQGOEOIWLXMVSK-UHFFFAOYSA-N 335.407 3.167 10 40 EGCB O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc(O)cc1 5348694 YZVUEWHNJVXMMY-RIYZIHGNSA-N 345.401 3.209 10 40 EGCB O=C1NC(=S)S/C1=C\c1ccc(-c2cccc(C(=O)O)c2)o1 13475931 BHFPIPOWNHCUDR-GHXNOFRVSA-N 331.374 3.134 10 40 EGCB C[C@H]1C[C@H](N(C)Cc2cc(Br)ccc2O)CCN1C 93643631 UIHQMVVLLSKSJG-SMDDNHRTSA-N 327.266 3.069 10 40 EGCB CCc1ccc(N2C[C@](O)(c3cccs3)[N+]3=C2SCCC3)cc1 15953399 NIGARXRJMKQBDE-SFHVURJKSA-N 345.513 3.481 10 40 EGCB COc1ccc(N2CCC(NC(=O)Cc3ccc(C)s3)CC2)cc1 65530802 AWLQYJGAGJANDN-UHFFFAOYSA-N 344.480 3.393 10 40 EGCB Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1-c1cccc(Cl)c1 5710354 UMTOQHGYPHFWHP-UHFFFAOYSA-N 344.798 3.079 10 40 EGCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 1276905 UCJWQBIUJFTZDP-CLUBXZQOSA-N 341.841 3.103 10 40 EGCB O=C1N=C(O)/C(=C\c2ccccc2O)C(=O)N1c1ccc(F)cc1 59106204 XSDWXOQPDSUIAY-UKTHLTGXSA-N 326.283 3.038 10 40 EGCB CC(=O)Nc1ccc(Br)c2c1C(=O)c1ccccc1C2=O 5553296 IEFIRFASAAHCOS-UHFFFAOYSA-N 344.164 3.183 10 40 EGCB COc1ccc(NC(=S)NCCN(C)c2ccccc2)cc1OC 225570549 APQXQKLYQLDSDW-UHFFFAOYSA-N 345.468 3.127 10 40 EGCB O=C1c2ccccc2C(=O)c2c3c(cc(O)c21)N[C@H]1CCCC[C@H]1N3 104075916 QCJPFQXXMJWVLU-QWHCGFSZSA-N 334.375 3.316 10 40 EGCB Cc1ccc([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c(O)c1 5962321 IKMHRJJFTHORTP-HNNXBMFYSA-N 329.425 3.179 10 40 EGCB Cc1cccc(-n2c(C)cc([C@@H]3NC[C@@H](C(=O)O)S3)c2C)c1C 408975674 BZVGACCHQHAJFE-DLBZAZTESA-N 330.453 3.499 10 40 EGCB CC1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C1 39563642 PWLQBSICUPNNSI-GOSISDBHSA-N 343.452 3.264 10 40 EGCB COc1ccc(N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)cc1 69518357 WIANOSRPKTVQHG-UHFFFAOYSA-N 342.414 3.162 10 40 EGCB CC1(C)OC(=O)C(=CNc2nc(-c3ccc(F)cc3)cs2)C(=O)O1 35592624 AQXIJAPOBNNFSY-UHFFFAOYSA-N 348.355 3.081 10 40 EGCB OCC1CCN(c2ccc(CNc3cnc4ccccc4n3)cc2)CC1 48368503 QTGNRKFFIJYBSA-UHFFFAOYSA-N 348.450 3.451 10 40 EGCB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc2c(c1)OCCO2 48342913 SSRIQRFHNBFQRZ-LFIBNONCSA-N 344.436 3.350 10 40 EGCB COc1ccc(Br)cc1/C=C1/SC(=S)N(C)C1=O 13389095 ABFHLWOYDRMSRZ-UXBLZVDNSA-N 344.255 3.289 10 40 EGCB COc1ccccc1/C=C1\SC(Nc2cccc(O)c2)=NC1=O 17196045 SPVHMWDGHSCCIT-DHDCSXOGSA-N 326.377 3.483 10 40 EGCB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3O)=NN12 10213901 MTSXDFSNLZCSJN-GOSISDBHSA-N 349.434 3.358 10 40 EGCB Cc1c(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccco2)cnn1C 6527481 DGDKCPYKOGCXMB-LFIBNONCSA-N 332.363 3.156 10 40 EGCB NCCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 3309642 NZAKVZYHPOTPFW-POHAHGRESA-N 333.265 3.153 10 40 EGCB Nc1c(C(=O)NC2CCCCC2)ccc2c1C(=O)c1ccccc1C2=O 4184177 QUIVFXGOEUAQDH-UHFFFAOYSA-N 348.402 3.107 10 40 EGCB Cc1nonc1/N=N/N(Cc1ccc(Cl)cc1)c1nonc1C 12372693 UWPCJJNRIJBRJF-HMMYKYKNSA-N 333.739 3.428 10 40 EGCB CC[C@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCO1 108443961 NLECRUCVEWAAFC-IBGZPJMESA-N 345.487 3.243 10 40 EGCB Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1 216931368 RYXIMVSBXZOHLK-FMIVXFBMSA-N 349.478 3.076 10 40 EGCB O=C1c2ccccc2C(=O)c2c3c(cc(O)c21)N[C@H]1CCCC[C@@H]1N3 104075922 QCJPFQXXMJWVLU-STQMWFEESA-N 334.375 3.316 10 40 EGCB O=C1c2ccccc2C(=O)c2c3c(cc(O)c21)N[C@@H]1CCCC[C@H]1N3 104075925 QCJPFQXXMJWVLU-CHWSQXEVSA-N 334.375 3.316 10 40 EGCB CNC(=O)COC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1 6319959 PNILDLSROAAXNW-QZQOTICOSA-N 340.383 3.071 10 40 EGCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3C[C@@H]3C)c2C)cc1 2642876 OWDRZYOENKSCLB-YVEFUNNKSA-N 341.407 3.485 10 40 EGCB Cn1nccc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 6827491 RXXOHVZAJWXITD-NBVRZTHBSA-N 328.375 3.255 10 40 EGCB COc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(OC)c1C 21935435 GFZDIMONCRPADF-UHFFFAOYSA-N 328.412 3.008 10 40 EGCB CCN(CC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc1 32099428 BCJIEYZMVXAMKO-RGEXLXHISA-N 349.434 3.303 10 40 EGCB COc1ccc(/C=C2/SC(Nc3cccnc3)=NC2=O)cc1OC 4134987 WTYAYASEROULGA-OQLLNIDSSA-N 341.392 3.181 10 40 EGCB Oc1cc2c(cc1[C@H](c1ccc(Cl)cc1)N1CCOCC1)OCO2 20726978 ZVYDMWFVIVJDTC-SFHVURJKSA-N 347.798 3.196 10 40 EGCB CCOc1c(Cl)cc(C(=O)NCc2ccccc2O)cc1OC 58245720 AVUWADRMIYLMNW-UHFFFAOYSA-N 335.787 3.383 10 40 EGCB CCN1CCc2cc(CN3CCC[C@H](Cn4ccnc4C)C3)ccc21 72399287 LUHRMNXSJBBFAP-IBGZPJMESA-N 338.499 3.486 10 40 EGCB O=C1NN=C(c2ccccc2)/C1=C/Nc1ccc(OC(F)(F)F)cc1 100409157 OYRDRKKJTKIXAX-UVTDQMKNSA-N 347.296 3.415 10 40 EGCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Oc1cccc3cccnc13)C(=O)C2=O 6760242 JLGLQCSANJATHP-VQTJNVASSA-N 337.375 3.105 10 40 EGCB CC(C)n1ncc2cc(C(=O)NCc3ccc(N(C)C)cc3)cnc21 12635147 ZOHVSJFLJRQERT-UHFFFAOYSA-N 337.427 3.008 10 40 EGCB CCCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1Cl 409025688 YOFMACBUFABCBS-JYRVWZFOSA-N 338.816 3.235 10 40 EGCB CN1C(=O)/C(=C/c2ccc(C(=O)NC3CCCC3)cc2)SC1=S 5374690 XCECUJDQNXBRFJ-UVTDQMKNSA-N 346.477 3.190 10 40 EGCB O=C1OC2(CCCCC2)OC(=O)C1=CNc1nc2ccccc2s1 100873958 UBKVONOIODYZOQ-UHFFFAOYSA-N 344.392 3.353 10 40 EGCB O=C1N=C(O)/C(=C\c2cccc(F)c2)C(=O)N1c1ccc(F)cc1 59135080 NQDWSIAFWIQNHC-NTEUORMPSA-N 328.274 3.472 10 40 EGCB O=[N+]([O-])c1ccc(O)c(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 89782872 QDYJQBCDOKCQII-ZWKOTPCHSA-N 346.358 3.449 10 40 EGCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 409409991 YDMQYADCVNAETN-RVAQLADHSA-N 336.391 3.325 10 40 EGCB COc1ccc(/C=C2/SC(=S)N(CN3CCCCC3)C2=O)cc1 24716554 IQBDSEFFRGVQTG-RVDMUPIBSA-N 348.493 3.340 10 40 EGCB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)[nH]1 32109988 UYVOOYFFZYIDGX-NVNXTCNLSA-N 329.787 3.378 10 40 EGCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc2c(c1)OCO2 1297539 QHJCOLYLMPBKLP-NSIKDUERSA-N 342.401 3.216 10 40 EGCB COc1ccc(/C=C2\SC(Nc3cccnc3)=NC2=O)cc1OC 16917204 WTYAYASEROULGA-DHDCSXOGSA-N 341.392 3.181 10 40 EGCB O=C(NCc1cc([N+](=O)[O-])ccc1O)C1(c2ccc(Cl)cc2)CC1 35310684 WNYJGRXYOUIBID-UHFFFAOYSA-N 346.770 3.302 10 40 EGCB Nc1nn2c(=O)c3c([nH]c2c1/N=N/c1cccc(Cl)c1)CCC3 4649609 AANGHPAJPMERSQ-FMQUCBEESA-N 328.763 3.162 10 40 EGCB Fc1ccc2c(C3=CCN(c4ncnc5[nH]ncc45)CC3)c[nH]c2c1 41123934 WZBWWQHRAJENEE-UHFFFAOYSA-N 334.358 3.267 10 40 EGCB CC[C@@H]1Oc2cc([C@H](C)NCc3cccc(F)c3O)ccc2NC1=O 1615587605 NRMIOJAZHHDOMW-ZBEGNZNMSA-N 344.386 3.492 10 40 EGCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1276891 BKGPFKLPSMIHOR-XNYAHFKXSA-N 341.841 3.103 10 40 EGCB O=C(O)CCN1C(=O)/C(=C\c2ccc(Cl)s2)SC1=S 14177034 NWWZXKUZQCIQIT-FNORWQNLSA-N 333.843 3.077 10 40 EGCB C[C@@H](CC(=O)NCc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 58152220 SKOJIQQLNUEKDT-NSHDSACASA-N 332.331 3.250 10 40 EGCB O=C1N=C(N2CCc3ccccc3C2)S/C1=C/c1ccc(O)cc1 15276387 QICNHAKVGSJKIJ-GZTJUZNOSA-N 336.416 3.421 10 40 EGCB Cc1cc(C(=O)OCC(=O)NCC(C)C)c(C)n1-c1ccccc1 3460584 PMYAWAHDIMIECP-UHFFFAOYSA-N 328.412 3.023 10 40 EGCB COc1ccc([C@H]2OCC[C@@H]2N[C@H](C)c2cc(F)ccc2O)cn1 585090397 JCQIKWPIXCORTD-DJCROIMJSA-N 332.375 3.116 10 40 EGCB Oc1ccc(-c2nc3cnccn3c2NCc2ccccc2)cc1O 12113846 HVFDRTWXKUYMKY-UHFFFAOYSA-N 332.363 3.420 10 40 EGCB O=C1c2ccccc2N[C@H](c2ccc(O)c(O)c2)N1Cc1ccco1 7112595 ODVFFPFWZRQPKA-SFHVURJKSA-N 336.347 3.458 10 40 EGCB COc1ccc(N2N=C(C)/C(=C(\C)NCc3ccccc3)C2=O)cc1 103916259 GXKHFNUJNYRWJR-RGEXLXHISA-N 335.407 3.482 10 40 EGCB CN(C)c1ccc(CNC(=O)CSc2nc3ccccc3o2)cc1 7883819 DPJPMEBSNWEAKF-UHFFFAOYSA-N 341.436 3.302 10 40 EGCB COc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3F)CC2)cc1 7850464 NBIKXKDVWHQDNY-UHFFFAOYSA-N 348.805 3.450 10 40 EGCB COc1cc(Br)cc(CN[C@@H](C)c2cccnc2)c1O 69536779 MRLFVACIHOVHLY-JTQLQIEISA-N 337.217 3.409 10 40 EGCB CN(Cc1ccccc1O)C(=O)NCc1ccc(Br)cc1 72270254 VBMQHPSGGSMVAF-UHFFFAOYSA-N 349.228 3.496 10 40 EGCB CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)C(O)=NC1=S 33323688 AXMUDWARPFOUQA-LCYFTJDESA-N 327.409 3.148 10 40 EGCB Cc1ccc([C@@]2(O)CN(c3ccccc3C)C3=[N+]2CCCS3)cc1 2966052 UUYARAHJJRZQGN-FQEVSTJZSA-N 339.484 3.474 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)Nc1cc(C(N)=O)ccc1C 71911821 LYYIHHPVYLRXHA-UHFFFAOYSA-N 341.411 3.244 10 40 EGCB O=C(NCc1ccc(N2CC=CC2)cc1)Nc1nnc(C2CC2)s1 101225451 ILIGWILYUGWHAQ-UHFFFAOYSA-N 341.440 3.113 10 40 EGCB C[C@@H](NC(=O)c1cc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1 68512876 ZYVCNQNHZUZVTO-OAHLLOKOSA-N 349.434 3.496 10 40 EGCB COc1cc(CNCc2ccc(N(C)C)c(F)c2)cc(OC)c1OC 58208815 JEXDISNTEVLSGE-UHFFFAOYSA-N 348.418 3.207 10 40 EGCB CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 19119025 JHEMIWBYLBYJGU-LFIBNONCSA-N 335.363 3.412 10 40 EGCB CSc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 212967 GJDJRNVJAUXPCN-UHFFFAOYSA-N 337.451 3.214 10 40 EGCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 59417985 HIJQGXLZWJSOLL-QPEQYQDCSA-N 343.389 3.396 10 40 EGCB Cc1cc(O)c(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1C 26641562 FEWHMHYZVVFUNQ-UHFFFAOYSA-N 342.414 3.106 10 40 EGCB Cn1cccc1/C=C1\SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 13769121 OIALTMSAJCBCKD-LCYFTJDESA-N 344.417 3.129 10 40 EGCB Cc1ccc2c(N)c(C(=O)OCC(=O)c3ccccc3)sc2n1 13575276 RLDMAYKINNCLGU-UHFFFAOYSA-N 326.377 3.227 10 40 EGCB CCOC(=O)c1nocc1-c1ccc2c(c1)C(=O)c1ccccc1C2=O 5473870 FKRDZJPQVXPOQJ-UHFFFAOYSA-N 347.326 3.294 10 40 EGCB CCc1ccc(N2C=C(C(=O)O)S(=O)(=O)c3cc(F)ccc32)cc1 67340722 VPQBECIZVDBOFW-UHFFFAOYSA-N 347.367 3.240 10 40 EGCB CC[C@H](NCc1ccccc1O)c1ccccc1OCC(=O)N(C)C 71792542 ITIOFDVDPLAISX-KRWDZBQOSA-N 342.439 3.100 10 40 EGCB CCc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)CC)cc3)C2=O)cc1 5586100 WHLBGXOVNWKTHX-RGEXLXHISA-N 349.434 3.167 10 40 EGCB Oc1ccc(Cl)cc1[C@H]1C[C@@H](c2ccc(F)cc2)n2nnnc2N1 6669659 IKFLIAGZJDIMMG-KGLIPLIRSA-N 345.765 3.318 10 40 EGCB CCOC(=O)[C@H](/N=N/c1ccc(Br)c(C)c1)C(C)=O 104243178 MRGKSZSPFMDFKI-IUDBQGPFSA-N 327.178 3.362 10 40 EGCB CCc1nc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cs1 71825300 CRGBNFQLIBSLQX-UHFFFAOYSA-N 349.475 3.096 10 40 EGCB CCCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OC)SC1=S 409349116 UMVCXSNAZUHSDB-WQLSENKSSA-N 338.410 3.215 10 40 EGCB CN(CCO)c1ccc(CN[C@H]2CCSc3ccccc32)cc1 12542034 KHXQPHFVQACZNX-SFHVURJKSA-N 328.481 3.442 10 40 EGCB Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1-c1ccccc1 12543338 CEWLQUHKDOJODL-UHFFFAOYSA-N 345.406 3.067 10 40 EGCB Oc1ccc2ccccc2c1CN1CCN(c2nccs2)CC1 12885989 SZGCGRALHDVXPY-UHFFFAOYSA-N 325.437 3.324 10 40 EGCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccsc2)C1=O 409242105 LXUZJVTWEZUGCU-YRNVUSSQSA-N 346.795 3.376 10 40 EGCB CC(C)OCc1ccc(NC(=O)NCc2c(O)cccc2O)cc1 1615572538 XCGVARQFKFVART-UHFFFAOYSA-N 330.384 3.345 10 40 EGCB Cc1cccc(N2C[C@@](O)(c3ccc(F)cc3)[N+]3=C2SCCC3)c1 2966103 POKZFMGEFGVZBX-LJQANCHMSA-N 343.447 3.305 10 40 EGCB O=C(O)CN1C(=O)/C(=C/c2ccc3ccccc3c2)SC1=S 1214918 HSUGOEFDHKSPDR-JYRVWZFOSA-N 329.402 3.126 10 40 EGCB CCCCc1cc(=O)oc2c(CN[C@@H](C(=O)O)C(C)C)c(O)ccc12 2121641 CBPWFNJOVAQVIC-QGZVFWFLSA-N 347.411 3.040 10 40 EGCB biogenic COC(=O)c1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1 5371709 NAXOMNUEFOKXMY-XFXZXTDPSA-N 335.450 3.473 10 40 EGCB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(N3CCCCC3)cc2)N1 7127092 QRJWICZIBWXUCM-SFHVURJKSA-N 346.438 3.123 10 40 EGCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 67979361 SSURBKJORZUFDX-XEXOPBTESA-N 343.408 3.475 10 40 EGCB O=C1N=C(N2CCCCC2)S/C1=C\C1=Cc2ccccc2OC1 80595 OXAGHNGPSNFWKA-WJDWOHSUSA-N 326.421 3.462 10 40 EGCB CN(C)c1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1 367358 ANCIYSVAHZBPLI-ATVHPVEESA-N 337.448 3.010 10 40 EGCB aggregator Nc1nn2c(C(F)(F)F)cc(O)nc2c1/N=N/c1ccc(O)cc1 3849090 NAGOLPLWWYUVIR-FMQUCBEESA-N 338.249 3.157 10 40 EGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/NCc1cccs1 100149125 LAIBYLOOLVVBTK-XNTDXEJSSA-N 342.380 3.053 10 40 EGCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC[C@H]1CCCO1 103918050 PHCDYNINYHYXSC-VVZNPABPSA-N 327.428 3.232 10 40 EGCB O=C1/C(=C/c2ccc(O)cc2O)SC(=S)N1Cc1ccccc1 59417951 WCTRRHUUAGUBRJ-NVNXTCNLSA-N 343.429 3.499 10 40 EGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc1 5374648 STTURDIGRMJKLS-WQLSENKSSA-N 330.390 3.119 10 40 EGCB Cc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 5097664 QNQXTQZRFNDLQN-LJQANCHMSA-N 325.456 3.094 10 40 EGCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc2c(c1)OCO2 5590595 DZYKVLRTMOSPDD-NVNXTCNLSA-N 340.360 3.203 10 40 EGCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccncc2)cc1 71799917 PTSKNAXENOOYNJ-UHFFFAOYSA-N 337.345 3.352 10 40 EGCB CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=S 1318758 VSDCHMHNRORSMN-QBFSEMIESA-N 338.479 3.286 10 40 EGCB Cn1cccc1/C=C1/SC(=S)N(c2ccc(C(=O)O)cc2)C1=O 2415686 OIALTMSAJCBCKD-UKTHLTGXSA-N 344.417 3.129 10 40 EGCB COc1cccc(Oc2coc3c(CN(C)C)c(O)ccc3c2=O)c1 20533514 CVDYIFXCDANERD-UHFFFAOYSA-N 341.363 3.361 10 40 EGCB C=CCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 33388476 HKUPXRQMBZETSS-AQTBWJFISA-N 343.386 3.289 10 40 EGCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CNc1ccccn1 18996453 RYQKLSVLMBZIHJ-UKTHLTGXSA-N 345.424 3.492 10 40 EGCB O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1 408962670 ZWONNGAFJFLODU-RGEXLXHISA-N 347.418 3.380 10 40 EGCB CN(C)c1ccc(CN2CCC3(CC2)CN(c2ccccc2)C3=O)cc1 96202923 SSEBQOXRBWWTMB-UHFFFAOYSA-N 349.478 3.382 10 40 EGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1cccc(C(=O)O)c1 100040997 COIGNWCPPHUXBG-GZTJUZNOSA-N 335.363 3.412 10 40 EGCB Nc1ccc(NC(=O)c2ccccc2I)cc1 21954399 GPYUULOPLFNAJD-UHFFFAOYSA-N 338.148 3.126 10 40 EGCB COCCCN1C(=O)/C(=C/c2ccc3c(c2)C[C@@H](C)O3)SC1=S 2440187 IGAJOHDYEJNJIX-MKVLZVNKSA-N 349.477 3.248 10 40 EGCB CCc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2SCCC3)cc1 2684424 SQUKBJZMXNIGLC-HXUWFJFHSA-N 339.484 3.420 10 40 EGCB CN(C)c1ccc(CN2CCOC[C@H]2c2nc(C(C)(C)C)c[nH]2)cc1 72322151 YRHLAHJVPDGAMM-KRWDZBQOSA-N 342.487 3.347 10 40 EGCB biogenic,in-vitro CN1C=CC=C/C1=C1\SC(=S)N(CCc2ccccc2)C1=O 6179287 VBVHPJDCBSPXIM-CCEZHUSRSA-N 328.462 3.316 10 40 EGCB CN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 3044361 RQVQFTISUPZPGU-JYRVWZFOSA-N 345.401 3.476 10 40 EGCB Cc1ccc2c(C3=CCN(c4ncnc5c4cnn5C)CC3)c[nH]c2c1 65410898 JABCNJNMJBUXLF-UHFFFAOYSA-N 344.422 3.447 10 40 EGCB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 564540 WGZNNIRRKLUDIY-LDADJPATSA-N 335.407 3.154 10 40 EGCB Cc1cc(C(=O)N2CCCN(C3CC3)CC2)c(C)n1-c1ccccc1 61605833 AAPXVKOXPHSPER-UHFFFAOYSA-N 337.467 3.404 10 40 EGCB CCc1cc2c(oc(=O)c3ccccc32)c(CN2CCOCC2)c1O 19790605 UCSWEPKHZVLRCQ-UHFFFAOYSA-N 339.391 3.046 10 40 EGCB Cc1ccc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)O)C2=O)o1 19891051 JNIMKNGJTLPZDR-HBZGRHIISA-N 339.438 3.289 10 40 EGCB COc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1OC 12371168 LLWTVMUXDKOSCA-PTNGSMBKSA-N 332.425 3.160 10 40 EGCB Cc1noc(-c2cccnc2NCCCSc2nccs2)n1 96483210 SFVMYKTYHDJKQQ-UHFFFAOYSA-N 333.442 3.491 10 40 EGCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 8371575 VRDXJLTTYAVUHT-OQLLNIDSSA-N 340.766 3.315 10 40 EGCB CCOc1ccccc1/C=C1\C(=O)NN(c2cccc(Cl)c2)C1=O 356232 ZCFDUTNUSDZTEX-XNTDXEJSSA-N 342.782 3.200 10 40 EGCB C[C@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)o1 13036142 IDHAZNBHSYMWNT-LUYNMEMESA-N 337.422 3.079 10 40 EGCB Cc1noc(C)c1CN(C)C(=O)NCc1ccc2c(c1)CCCN2C 57661455 VREHGZKJYIJDHU-UHFFFAOYSA-N 342.443 3.015 10 40 EGCB COc1cccc(OC)c1C(=O)NCc1ccc(N2CCCC2)cc1 10113500 CZHBTOWIMPISSP-UHFFFAOYSA-N 340.423 3.234 10 40 EGCB O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)C1CCC1 65585936 JASCZLHQGXZAJL-GFCCVEGCSA-N 342.361 3.328 10 40 EGCB CN(C)c1ccc(CNC(=O)CCC(=O)c2ccc(F)cc2)cc1 8170785 IHAMZSCFKXMOMD-UHFFFAOYSA-N 328.387 3.171 10 40 EGCB COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)NC(C)C 44085904 XAAWBDSUZNDLCW-UHFFFAOYSA-N 347.484 3.122 10 40 EGCB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/c1ccco1 341559 OYEWLNGOGRNHKM-RVDMUPIBSA-N 332.315 3.099 10 40 EGCB O=C(NCCCSc1nccs1)c1ccc(O)c(Cl)c1 96413353 MMPSVRHIPNUHME-UHFFFAOYSA-N 328.846 3.414 10 40 EGCB O=C(NC1=NN(c2ccccc2)C(=O)C1)Nc1ccc(Cl)cc1 6927531 DEDSKRGBBXDWQI-UHFFFAOYSA-N 328.759 3.212 10 40 EGCB O=C(Oc1ccccc1)c1ccc2c(c1O)C(=O)c1ccccc1C2=O 4891437 CZYBUEBKDCSDDZ-UHFFFAOYSA-N 344.322 3.387 10 40 EGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)cc1 12554938 FFBNWTLGXJHRQK-UHFFFAOYSA-N 344.842 3.449 10 40 EGCB Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)NC(C)(C)C)c1C 4270287 XGAYCCWDVPYCKW-UHFFFAOYSA-N 342.439 3.474 10 40 EGCB COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 4491537 XKNIWNIEUYEFJN-LFIBNONCSA-N 337.335 3.410 10 40 EGCB Cc1ccc(/C=C2\SC(Nc3ccccc3C(=O)O)=NC2=O)o1 19891074 HLYYKJOXRGSKMF-JYRVWZFOSA-N 328.349 3.369 10 40 EGCB Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccc(C(N)=O)cc2)cc1 36728227 WOOJBUBJMJUMLU-UHFFFAOYSA-N 347.418 3.123 10 40 EGCB COc1ccc(N2CCCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 71820052 YDZVXXLVEDLNEP-UHFFFAOYSA-N 333.819 3.029 10 40 EGCB CC(C)(C)NC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1O 199427004 TYEUHBNBXXDMEK-GOSISDBHSA-N 338.451 3.234 10 40 EGCB CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(O)c1 100807859 ZYAUVKJDEMGGOP-MHWRWJLKSA-N 340.766 3.488 10 40 EGCB COc1ccc(N2CCN(C(=S)Cc3ccccc3)CC2)cc1 3348931 PSJUHIBHLNFPCZ-UHFFFAOYSA-N 326.465 3.387 10 40 EGCB CCCCN1C(=O)/C(=C\c2cccc(OC)c2)C(C(=O)OC)=C1C 6428037 HJTKIBBSOMDKPI-VBKFSLOCSA-N 329.396 3.168 10 40 EGCB COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)cc1 78979572 YPPNAQPTRVZBML-ZWKOTPCHSA-N 340.423 3.177 10 40 EGCB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc(Cl)c(O)c(Cl)c1 92789 IOGZNWGDOIDTMB-UHFFFAOYSA-N 343.162 3.453 10 40 EGCB COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc(OC)c1C 23744298 YVCGQMQLSDIHJR-UHFFFAOYSA-N 342.439 3.350 10 40 EGCB CN(Cc1ccccc1O)C(=O)Nc1ccnc(Cc2ccccc2)n1 95460723 PGBGZCMHIRQBTI-UHFFFAOYSA-N 348.406 3.437 10 40 EGCB Cc1cnc([C@@H](C)NC(=O)NCCCSc2nccs2)s1 89702362 ZIRSEOMXDRSCGY-SNVBAGLBSA-N 342.515 3.451 10 40 EGCB O=S(=O)(Nc1ccccc1C(F)(F)F)c1cccc2nonc12 14256070 NEJLSZGJCSYPPP-UHFFFAOYSA-N 343.286 3.042 10 40 EGCB COCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 5878998 QLXQXKCMPZYOMR-QGOAFFKASA-N 335.407 3.185 10 40 EGCB CCc1nnsc1C(=O)N(Cc1ccc(N(C)C)cc1)CC1CC1 69702331 RBFRDLRGQULVFA-UHFFFAOYSA-N 344.484 3.219 10 40 EGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 14099538 IHVOEUXBDDZZRV-UHFFFAOYSA-N 336.432 3.103 10 40 EGCB O=C(NCCCSc1nccs1)c1ccc(N2CCCC2)nc1 79310593 NEVKOIVDAYPBOI-UHFFFAOYSA-N 348.497 3.051 10 40 EGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(F)c1 33615517 SBYMVYMQBNRXGX-WJDWOHSUSA-N 329.371 3.441 10 40 EGCB CCN1C(=O)/C(=C/c2cc3c(cc2Cl)OCO3)SC1=S 1023122 HFSTZIBNCNSJIS-WCIBSUBMSA-N 327.814 3.290 10 40 EGCB Cc1ccc(N2C(=O)/C(=C\c3ccc[nH]3)C(O)=NC2=S)c(C)c1 20462237 CDGKDRDUEKWNBS-LCYFTJDESA-N 325.393 3.303 10 40 EGCB Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1-c1ccccn1 48272145 NRZVBRLDCVDFGI-UHFFFAOYSA-N 339.420 3.098 10 40 EGCB CN(C)c1ccc(CNC(=O)[C@H]2COc3ccc(Cl)cc3C2)cc1 7243595 LLXDBFFWXMFKHC-OAHLLOKOSA-N 344.842 3.274 10 40 EGCB CCOc1ccc(-c2nnc3n2N[C@H](c2ccccc2O)S3)cc1 3843255 SFVQMJOLRKAVFG-INIZCTEOSA-N 340.408 3.397 10 40 EGCB biogenic O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cccc3ccccc23)o1 96193577 IIXBMZLLIXFZON-UHFFFAOYSA-N 348.383 3.014 10 40 EGCB CC[C@H]1Oc2cc([C@@H](C)NCc3cc(F)ccc3O)ccc2NC1=O 1615588193 YSUOEVFSOKFRSE-PIGZYNQJSA-N 344.386 3.492 10 40 EGCB O=C1N=C(O)/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 1225738 CTTXWYHQYXTDOY-GXDHUFHOSA-N 337.291 3.102 10 40 EGCB O=C1/C(=C/c2ccncc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 59417984 JRAASGABKZHPKX-JYRVWZFOSA-N 343.389 3.396 10 40 EGCB Cc1nc([C@H](C)NC(=O)NCCCSc2nccs2)cs1 89709059 YZUCPMYSDOTUDS-VIFPVBQESA-N 342.515 3.451 10 40 EGCB COc1cc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)ccc1O 33314797 MYJYNGIQDJFHMW-XNTDXEJSSA-N 332.425 3.103 10 40 EGCB CC[C@H](C)NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 5374682 SVEDZMPIVYJCDJ-AVMBBCFPSA-N 334.466 3.046 10 40 EGCB Cc1csc(N2N=C(c3ccccc3O)C[C@]2(O)C(F)(F)F)n1 4478275 QWHXMEJHBDLSIA-ZDUSSCGKSA-N 343.330 3.022 10 40 EGCB Cc1cccc(/C=C2\SC(=S)N([C@@H](C(=O)O)C(C)C)C2=O)c1 5373460 YANYQNRCYWCESP-LLBKUYECSA-N 335.450 3.305 10 40 EGCB Cc1ccc(O)c(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1 91686408 QSORAKJYUGOKCT-INIZCTEOSA-N 339.439 3.255 10 40 EGCB Cc1nc(CN[C@@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)cs1 65519383 ZOKILEOXROLBSD-ZDUSSCGKSA-N 348.491 3.193 10 40 EGCB C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cnn(C)c2)SC1=S 6521970 BLLIELLGLFCNMZ-KYJZABPNSA-N 329.450 3.383 10 40 EGCB CCN1CCN(C(=S)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 4724015 BXDPQPILCARDMD-UHFFFAOYSA-N 345.424 3.168 10 40 EGCB CCN(CC)c1ccc(/C=C2/SC(=S)N(C(C)=O)C2=O)cc1 408822753 VOCHUEGSODXBTM-GXDHUFHOSA-N 334.466 3.281 10 40 EGCB O=c1cc2c(=O)c3ccccc3c3c4ccc(O)c(O)c4oc(c1O)c23 95869944 FAVCQGOMARIMEY-UHFFFAOYSA-N 346.294 3.167 10 40 EGCB CN1CCCc2cc(/C=C/C(=O)Nc3nnc(C4CC4)s3)ccc21 61111561 AHWWOTSIZHQZBS-WEVVVXLNSA-N 340.452 3.450 10 40 EGCB Cc1cc(C)c2c(N)c(C(=O)OCc3nc(C(C)C)no3)sc2n1 22751491 LQXIWCHDRVFSGX-UHFFFAOYSA-N 346.412 3.359 10 40 EGCB C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1nnc2n1CCCC2 89913860 IXWUVNYZKYXVRP-MRXNPFEDSA-N 339.487 3.456 10 40 EGCB C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2F)C[C@@H](C)O1 48354843 BSOJTLGTRJEYFZ-UXLLHSPISA-N 346.446 3.412 10 40 EGCB CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2=O 4727499 HDRBYMPWWLJACJ-BZNIZROVSA-N 339.313 3.218 10 40 EGCB Cc1ccc(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2SCCC3)cc1 3912316 QNHHNEQVPUQQFA-HXUWFJFHSA-N 339.484 3.474 10 40 EGCB COc1ccc(CN[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1 71825379 DQIINXNHBWIGNH-KRWDZBQOSA-N 339.483 3.298 10 40 EGCB Cc1cnc([C@H](C)NC(=O)NCCCSc2nccs2)s1 89702363 ZIRSEOMXDRSCGY-JTQLQIEISA-N 342.515 3.451 10 40 EGCB CC[C@@H]1Oc2cc([C@@H](C)NCc3cccc(F)c3O)ccc2NC1=O 1615587603 NRMIOJAZHHDOMW-BZNIZROVSA-N 344.386 3.492 10 40 EGCB COC(=O)c1sccc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 100278037 ISDHQEHLQZTKRX-JLHYYAGUSA-N 341.392 3.253 10 40 EGCB Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c(C)n1-c1ccccc1 24994975 RDGMHNBODMZWLL-UHFFFAOYSA-N 340.423 3.073 10 40 EGCB COc1ccc(N2CCN(C[C@H](O)c3cccc(Cl)c3)CC2)cc1 25571730 FQSUPHIWRQXYKD-IBGZPJMESA-N 346.858 3.204 10 40 EGCB COc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(C)C1=O 409229476 PPUJZQGGFCISMW-XNTDXEJSSA-N 332.425 3.352 10 40 EGCB CC(C)OC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 4070700 GBKHAXRTXDLKBD-RAXLEYEMSA-N 335.450 3.230 10 40 EGCB O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc2c(c1)OCO2 1281032 IWCPXUMENRJUAF-AUWJEWJLSA-N 342.401 3.216 10 40 EGCB CC(=O)N(/C=C/C=C/C=C1/SC(=S)NC1=O)c1ccccc1 16102001 PMHHNHPLHIUGHN-RTXGMDRESA-N 330.434 3.141 10 40 EGCB Cc1ccc(CC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 48375184 BPAJGEWRDYUJEK-UHFFFAOYSA-N 340.492 3.407 10 40 EGCB COP(=O)(OC)[C@H](Nc1nccs1)c1ccc(O)c(O)c1 16194420 ZCYGRGZWKBUSNB-NSHDSACASA-N 330.302 3.151 10 40 EGCB O=C(CN1CCCc2cc(OC(F)F)ccc21)Nc1ccc(O)cc1 55026510 GPBPEGHLWCWYMT-UHFFFAOYSA-N 348.349 3.385 10 40 EGCB CCN1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 20478215 YCBRIMHJFAHOKS-UHFFFAOYSA-N 343.446 3.053 10 40 EGCB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccccc1[N+](=O)[O-] 5164868 RZFRYVCSAPZFCQ-SGWGQVFISA-N 349.390 3.232 10 40 EGCB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3cccnc13)C(=O)C2=O 6759396 ISEZCPGSEAIFJM-UXHICEINSA-N 336.391 3.138 10 40 EGCB CC(C)OC(=O)c1sc2nc3cc4c(cc3cc2c1N)OCO4 35311060 AXHNSJXYKHLZRU-UHFFFAOYSA-N 330.365 3.326 10 40 EGCB CN(C)c1ccc(CN2CC[C@H](c3nnc(-c4ccco4)o3)C2)cc1 49169483 SYWPKPSZJFPHLC-HNNXBMFYSA-N 338.411 3.385 10 40 EGCB biogenic,in-vitro Cc1cc(C(=O)Nc2ccccc2CC(N)=O)c(C)n1-c1ccccc1 47256328 XFHUCMPDBGHKOG-UHFFFAOYSA-N 347.418 3.374 10 40 EGCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccnc1S 58265519 MUMXFMLXVAEXPO-UHFFFAOYSA-N 327.453 3.291 10 40 EGCB CC1(C)[C@H]2CC[C@]1(C(=O)Nc1ccccc1C(F)(F)F)C(=O)C2=O 4727496 XMIHXAYKKLPBME-MGPLVRAMSA-N 339.313 3.218 10 40 EGCB CC(C)(C)c1cc(C=C2C(=O)NC(=O)NC2=O)cc(C(C)(C)C)c1 11027287 TWHNQIWOJFIUGW-UHFFFAOYSA-N 328.412 3.031 10 40 EGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/C=C/c1ccco1 188904 SRULBCQLTDESEP-GSPDUGTFSA-N 342.738 3.156 10 40 EGCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409352667 YHMNFZINOGQNJZ-MDWZMJQESA-N 343.389 3.396 10 40 EGCB CCN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)c2ccccc21 4703705 XGAYGMHXFXTUED-GZTJUZNOSA-N 345.402 3.034 10 40 EGCB O=C1c2ccccc2N[C@@H](c2ccc(O)c(O)c2)N1CC(F)(F)F 7113304 IROBBSVJNCMEOE-CQSZACIVSA-N 338.285 3.227 10 40 EGCB CC(C)c1ccc(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)cc1 409235265 ZHCUOBGLANZRPD-OQLLNIDSSA-N 340.404 3.234 10 40 EGCB COc1cccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1 71825309 OZHDKGFBDUDYBA-UHFFFAOYSA-N 344.430 3.085 10 40 EGCB COC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5236329 CEXBQIDYSYLZJH-MWEMGACCSA-N 347.461 3.397 10 40 EGCB COc1ccc(N2CCN(CCOc3cccc(C)c3)CC2)cc1 39561394 VRQOUUDOSMBSTL-UHFFFAOYSA-N 326.440 3.205 10 40 EGCB COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1O 4690094 MVZXSOLGRQCTHY-ZSOIEALJSA-N 347.417 3.395 10 40 EGCB O=c1cc(CN2CCC[C@H]2c2ccco2)c2cc(O)c(O)cc2o1 97135201 UEQYJDRAIXYLAS-ZDUSSCGKSA-N 327.336 3.134 10 40 EGCB CCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1 5002758 JYKAYOSFWFSCMM-KRWDZBQOSA-N 345.443 3.114 10 40 EGCB COc1ccc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)c(OC)c1 85703 LJVUOLOTIYCBAX-DZZSIBQASA-N 346.452 3.406 10 40 EGCB Cc1cc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccccc1 19791868 QXYORBWBBMQBNT-HZPDHXFCSA-N 326.440 3.386 10 40 EGCB aggregator O=C(Nc1nncs1)N(Cc1ccco1)Cc1ccccc1O 44972411 JPXVPTRGUSMOHL-UHFFFAOYSA-N 330.369 3.071 10 40 EGCB O=C1C/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccc(F)c(Cl)c1 9047266 VQSKMTCXMBQJMN-BJMVGYQFSA-N 347.729 3.237 10 40 EGCB O=C(N1CCOCC1)[n+]1ccc(/C=C/c2ccc(Cl)cc2)cc1 173476 COQMUUWOEFQIHY-OWOJBTEDSA-N 329.807 3.098 10 40 EGCB Cc1ccccc1N1C(=O)/C(=C/c2cccn2C)C(O)=NC1=S 1298893 YJEUTESYFJHDIU-JLHYYAGUSA-N 325.393 3.005 10 40 EGCB Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1O 3075641 BZHVYSIQIOTABY-UHFFFAOYSA-N 342.214 3.264 10 40 EGCB C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 65606792 UYQQXWVMVYWDFN-XUJVJEKNSA-N 342.361 3.184 10 40 EGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(C)s2)C1=O 16162427 QDMWSJDQJAZDAH-GXDHUFHOSA-N 340.404 3.285 10 40 EGCB C[C@@H]1CN(c2ccc(CNC(=O)NC3CCCC3)cc2F)C[C@@H](C)O1 56332465 WCZXFEODUQZFQP-ZIAGYGMSSA-N 349.450 3.181 10 40 EGCB COc1ccccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 58417798 RIFPDVGAVIBOLB-OAHLLOKOSA-N 340.423 3.023 10 40 EGCB Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccoc1 69350044 BNSJWYDDUVXHKZ-UHFFFAOYSA-N 327.409 3.089 10 40 EGCB O=[N+]([O-])c1ccccc1CNCc1ccc(N2CCSCC2)cc1 78394119 CPDMUXJPPLLBGB-UHFFFAOYSA-N 343.452 3.438 10 40 EGCB CCCCN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S 36613136 IISMGYREHHSVFI-XYOKQWHBSA-N 338.410 3.302 10 40 EGCB O=C1c2ccccc2-c2nc3[nH]nc(O)c3c(-c3ccc([N+](=O)[O-])o3)c21 18196258 HQENNOQCIIWUTR-UHFFFAOYSA-N 348.274 3.043 10 40 EGCB CCOC(=O)c1nc[nH]c1/N=N/c1c(OC)cc(OC)cc1OC 6564682 RPHHQZJRVDABAA-VHEBQXMUSA-N 334.332 3.028 10 40 EGCB Cc1ccc(O)c([C@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1 9008375 OKLWAQPBPBEIIL-HNNXBMFYSA-N 329.425 3.179 10 40 EGCB CCOc1cccc(CN[C@H](c2ccccc2)c2nc(C)n[nH]2)c1O 69168837 IMJLYAXRMNVTBG-QGZVFWFLSA-N 338.411 3.097 10 40 EGCB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1CCc1ccccc1 409216183 INNRAADRRLZOHF-LFIBNONCSA-N 341.388 3.377 10 40 EGCB C[C@H](NC(=O)C1CCN(C)CC1)c1ccc(N2CCC[C@@H](C)C2)cc1 216924305 NXGZOPXWNXWREE-SJORKVTESA-N 343.515 3.442 10 40 EGCB Cc1nc(CNCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)cs1 48234802 FCZZWEQGTCIFMG-BETUJISGSA-N 349.475 3.494 10 40 EGCB Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(F)cc2)C1=O 4602966 BYDVMGPNGDVLLR-XYOKQWHBSA-N 346.408 3.027 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3F)C2=O)cc1C 408852127 INFWEUOLYFEXOJ-XNTDXEJSSA-N 338.338 3.109 10 40 EGCB Cc1ccc(N2C[C@@](O)(c3ccc(F)cc3)[N+]3=C2SCCC3)cc1 3912318 AUUCPZJZXVDVKV-LJQANCHMSA-N 343.447 3.305 10 40 EGCB O=S(=O)(Nc1ccc(O)cc1)c1ccc2c3c(cccc13)CC2 226861735 NHKRQGJEJKXVIO-UHFFFAOYSA-N 325.389 3.445 10 40 EGCB O=C(CSc1nccs1)N1CCCc2cc([N+](=O)[O-])ccc21 52914194 PVYMNCWJYXVMAO-UHFFFAOYSA-N 335.410 3.123 10 40 EGCB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccco2)cc1 28231986 QBQPFRRCLXSJOJ-KRWDZBQOSA-N 328.412 3.167 10 40 EGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\C=C\c1ccccc1 13546450 NBUFXEWVULAYRF-QSJINSDNSA-N 336.322 3.048 10 40 EGCB CCn1nccc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccco1 6490094 NLIZDNDSXZDNPD-DTQAZKPQSA-N 332.363 3.331 10 40 EGCB COc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2O)c(OC)c1 71792519 KZSMEDIWALHQKD-NSHDSACASA-N 332.356 3.168 10 40 EGCB FC(F)Oc1ccc(N2CCC(NCc3cccnc3)CC2)cc1 71924614 WHUXNXNHAOWGSR-UHFFFAOYSA-N 333.382 3.442 10 40 EGCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cscn2)cc1 103413517 CTCQAXPQUKGQBM-UHFFFAOYSA-N 343.374 3.414 10 40 EGCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NC1CCCC1 100150636 IUQKOCUZPLAARM-JLHYYAGUSA-N 326.425 3.435 10 40 EGCB CC(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 9140523 KNVSZPWKSFAUMW-UHFFFAOYSA-N 332.812 3.404 10 40 EGCB Cc1ccc(-c2cnc(SCC(=O)NCC(F)(F)F)n2C)cc1 24939613 KVTIPWCNHHXNKJ-UHFFFAOYSA-N 343.374 3.166 10 40 EGCB O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cccnc3)nc21 28643904 IOBRUMYBBWCOCR-UHFFFAOYSA-N 325.327 3.400 10 40 EGCB Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2nc3ccccc3[nH]2)C1=O 6813450 DQUSSVYMEIBKGH-BENRWUELSA-N 346.346 3.378 10 40 EGCB Cc1cccc(-n2c(C)cc([C@@H]3NC[C@H](C(=O)O)S3)c2C)c1C 408975675 BZVGACCHQHAJFE-IAGOWNOFSA-N 330.453 3.499 10 40 EGCB CC1=CN2C(=N)/C(=C/c3ccc(Br)o3)C(=O)N=C2S1 41083741 BDQNTQDWBXYDIM-DORBXEORSA-N 338.186 3.209 10 40 EGCB CCOC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(OC)cc1 100249967 BRTPKPGANQCNFO-LGMDPLHJSA-N 337.379 3.388 10 40 EGCB CCOC(=O)[C@H](/N=N\c1ccc(C)cc1Br)C(C)=O 104243195 TWURBUNOBXNZFQ-KXEGMRRWSA-N 327.178 3.362 10 40 EGCB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 97108732 ZAWXPWVFMYEOMI-NEPJUHHUSA-N 349.814 3.266 10 40 EGCB COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1C 409080103 HUKPGFXRLRFKOB-MLJKTZRHSA-N 349.477 3.384 10 40 EGCB Cc1cccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097776 QEKSLESZMKODPP-FQEVSTJZSA-N 339.483 3.023 10 40 EGCB Cc1cc(/C=C2/SC(=S)N(CCN(C)C)C2=O)c(C)n1C1CC1 32873863 JTBZCUNNMPFQMU-XNTDXEJSSA-N 349.525 3.203 10 40 EGCB Cc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c(C)c1 409137786 YTOVAAOUDXFVLM-UKTHLTGXSA-N 342.445 3.196 10 40 EGCB Oc1ccc([C@H]2Nc3cc(Cl)ccc3C3=NCCCN32)cc1O 12188576 MTXVFUZVZDDGTK-INIZCTEOSA-N 329.787 3.328 10 40 EGCB O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc2cn[nH]c12 58430592 OHOIBBVAAWBPMU-UHFFFAOYSA-N 334.423 3.483 10 40 EGCB COC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 5214847 NSZKXMKURGVFLK-DHZHZOJOSA-N 341.841 3.104 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2C)SC1=S 5373414 MZEINPMWVLULSZ-FNWMBBJUSA-N 335.450 3.450 10 40 EGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(OC)cc1 6272761 USWAQUZDNQTMNK-ATVHPVEESA-N 341.407 3.310 10 40 EGCB O=C(O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1O 73687 MYNBJQNUBOQTKB-UHFFFAOYSA-N 343.360 3.044 10 40 EGCB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)c(OC)c1 89930406 WCQGVODDLCMPBO-KRWDZBQOSA-N 340.379 3.107 10 40 EGCB COc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 8657388 MZAFAMFMIWTLTC-UVTDQMKNSA-N 328.418 3.496 10 40 EGCB O=c1[nH]n2c(=O)c3c([nH]c2c1/N=N/c1cccc(Cl)c1)CCCC3 103674869 PUAFLNVMPYKYQF-FMQUCBEESA-N 343.774 3.264 10 40 EGCB Cc1ccc(C)c(N(C)S(=O)(=O)c2cccc3nsnc23)c1 212998 PLEKKJCSEZQOQM-UHFFFAOYSA-N 333.438 3.133 10 40 EGCB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1 95956830 PYWRJJILAQUFHH-SFHVURJKSA-N 340.423 3.192 10 40 EGCB COc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1=O)C2(C)C 100868458 FYHCKNAQYIYBKZ-QZTJIDSGSA-N 349.814 3.252 10 40 EGCB CCCN1C(=O)c2ccccc2N[C@@H]1c1cc(O)c(O)c(OC)c1 7886619 IIJRKKYVOZRBKN-KRWDZBQOSA-N 328.368 3.083 10 40 EGCB CC(C)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 71185869 WJDKRZKTCJLJBP-UHFFFAOYSA-N 326.387 3.419 10 40 EGCB CN1CCc2cc([C@H](CNC(=O)C3CCCC3)N3CCCC3)ccc21 8963272 FYYAWGLTSCPWFX-FQEVSTJZSA-N 341.499 3.122 10 40 EGCB CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccccc2O)CC1 299316 MCGVPIBAWMASDR-UHFFFAOYSA-N 338.451 3.263 10 40 EGCB NS(=O)(=O)c1ccc(/N=N/c2ccc(O)c3ncccc23)cc1 96425650 JKGWEZMHRXGMLG-VHEBQXMUSA-N 328.353 3.003 10 40 EGCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1O 438918 VEVOKWHOABPPCT-NTUHNPAUSA-N 349.173 3.160 10 40 EGCB Cc1[nH]c2ccccc2c1/C=C1\NC(=S)N(Cc2ccco2)C1=O 14199386 BZSKLWFYLGFPMR-SXGWCWSVSA-N 337.404 3.327 10 40 EGCB CN(C)c1ccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)cc1 51315992 NAORFXDXNFSYIV-UHFFFAOYSA-N 326.425 3.134 10 40 EGCB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1N1CCCC1 33450419 GWPGADOBERVGBH-JXAWBTAJSA-N 347.418 3.057 10 40 EGCB Cc1cccc(-n2c(C)cc([C@H]3NC[C@@H](C(=O)O)S3)c2C)c1C 408975676 BZVGACCHQHAJFE-IRXDYDNUSA-N 330.453 3.499 10 40 EGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 5835639 FVLKKHRUPRHFJS-YTRUQHMWSA-N 339.413 3.136 10 40 EGCB CC1(C)[C@H]2CC[C@@]1(C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2=O 100198385 HDRBYMPWWLJACJ-ZBEGNZNMSA-N 339.313 3.218 10 40 EGCB Cc1csc(CNC(=O)NCc2ccc(N3CCCC3)cc2)n1 44953009 XNRDNPIXVXTYEN-UHFFFAOYSA-N 330.457 3.051 10 40 EGCB CCN1C(=O)/C(=C\c2cc(Cl)cc(OC)c2O)SC1=S 113830443 IQLPDPNGHXWRRD-BJMVGYQFSA-N 329.830 3.275 10 40 EGCB COc1ccc(N2CCN(CC(=O)c3cc(C)ccc3C)CC2)cc1 67206139 ZTCTYVQSXYMRKO-UHFFFAOYSA-N 338.451 3.317 10 40 EGCB COc1ccc(N2CCC(N(C)C(=O)c3occc3C)CC2)cc1 79335664 FCTXSZBYKCAOTB-UHFFFAOYSA-N 328.412 3.338 10 40 EGCB CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](O)[C@@H]2OC3=O 31157843 UXVPWKDITRJELA-XLSPSMHOSA-N 346.423 3.258 10 40 EGCB endogenous,in-man Cc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2SCCC3)cc1 3912321 COBRWQAILDJETR-IBGZPJMESA-N 325.457 3.166 10 40 EGCB COc1cccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 17070045 DEQXABZPBKYGRQ-UHFFFAOYSA-N 327.428 3.103 10 40 EGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1 54285200 IBSHZQLXEVEPDQ-UHFFFAOYSA-N 336.391 3.199 10 40 EGCB Nc1nc(Cl)c(/N=N/c2ccc(Cl)cc2)c(NCCO)n1 18178340 BCIQIIHTZDKMTR-FMQUCBEESA-N 327.175 3.185 10 40 EGCB CC[C@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1O 156764215 ROCXAIJDYGTRRQ-BJLQDIEVSA-N 332.488 3.201 10 40 EGCB O=C1/C(=C\c2cccc(O)c2O)SC(=S)N1Cc1ccco1 1579923 NEERWEXPCFLRSM-KPKJPENVSA-N 333.390 3.092 10 40 EGCB COc1ccccc1N1C(=O)/C(=C\c2ccncc2)SC1=S 5845834 KQWACWDMZMAVBC-GXDHUFHOSA-N 328.418 3.496 10 40 EGCB CCOC(=O)CCCCCCNC(=O)NCc1ccc(N(C)C)cc1 40139489 HYCPAEIOQGTRGP-UHFFFAOYSA-N 349.475 3.065 10 40 EGCB CCN(CC)c1ccc(CNC(=O)NCc2c(C)noc2C)cc1F 66928600 CYIIUPKLVASOGT-UHFFFAOYSA-N 348.422 3.276 10 40 EGCB CN(CCCNC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 107040430 GNFPPJWGKDJZTN-UHFFFAOYSA-N 343.452 3.228 10 40 EGCB CCOc1ccccc1OCCC(=O)NCc1ccc(N(C)C)cc1 18215158 OKSQAXDJYMFLFJ-UHFFFAOYSA-N 342.439 3.237 10 40 EGCB CN(C)CCNC(=O)c1cccc2nc3c(ccc4ccccc43)nc12 5808506 TYTLWVIJHWWGIZ-UHFFFAOYSA-N 344.418 3.228 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 2407252 HVDIVKIUSAWTNZ-LCFDYFRESA-N 339.413 3.280 10 40 EGCB O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1Cc1ccco1 35038851 DYMSKBAEOCREQH-NTUHNPAUSA-N 333.390 3.092 10 40 EGCB O=C(c1cc(C2CC2)on1)N(Cc1ccccc1O)C[C@@H]1CCCO1 95434350 STQKYXMRLUZSGZ-HNNXBMFYSA-N 342.395 3.079 10 40 EGCB O=C1/C(=C/c2cccc(O)c2O)SC(=S)N1Cc1ccccc1 1093649 ONAZKRHHQUOXCZ-ZROIWOOFSA-N 343.429 3.499 10 40 EGCB CC(C)Cn1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)c2ccccc21 33316376 YRMJJPSZSLNNKP-ZSOIEALJSA-N 341.436 3.394 10 40 EGCB COc1ccc(N2CCN(C(=O)Cc3ccc(C)c(C)c3)CC2)cc1 5094416 OACQPPAZXZECAL-UHFFFAOYSA-N 338.451 3.203 10 40 EGCB COc1cccc(-n2c(C)cc(C(=O)N3CCC(OC)CC3)c2C)c1 46325261 OCPOPIMMNUVCEE-UHFFFAOYSA-N 342.439 3.354 10 40 EGCB Cc1oc2c(c1C(=O)NCCC(C)C)C(=O)c1ccccc1C2=O 82235 MAGQAHBJKOFODL-UHFFFAOYSA-N 325.364 3.139 10 40 EGCB CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 56105671 GXZFINJKUHXYQZ-UHFFFAOYSA-N 332.469 3.152 10 40 EGCB Cc1cc(C(=O)COC(=O)c2cccnc2N)c(C)n1-c1ccccc1 24757907 MLENYAGUXFSZEA-UHFFFAOYSA-N 349.390 3.111 10 40 EGCB CC(C)c1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n[nH]1 69696752 HYCZIFFAEGWKQZ-HNNXBMFYSA-N 343.427 3.060 10 40 EGCB Cc1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c(C)n1-c1ccccn1 69967593 LGQRDNFIKJPFOC-QGZVFWFLSA-N 349.438 3.163 10 40 EGCB C[C@H](NC(=O)Nc1cccs1)c1ccc(N2CCN(C)CC2)cc1 69393056 IKPHOURPLHDKST-AWEZNQCLSA-N 344.484 3.383 10 40 EGCB CN(C)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 28461321 FYGFCQLVSPTQEJ-UHFFFAOYSA-N 332.403 3.165 10 40 EGCB biogenic N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 33145040 CTDNYFUVTGMEON-PVKCIBLZSA-N 342.277 3.007 10 40 EGCB CCOc1c(/N=N\c2ccccc2[N+](=O)[O-])c(C)nn1C(N)=S 17141898 CURVJQIBCLQSIX-NXVVXOECSA-N 334.361 3.006 10 40 EGCB CCOC1=NN(c2ccccc2)C(=O)/C1=C\NCc1cccs1 100249998 QFNJJBDVUALULM-QINSGFPZSA-N 327.409 3.118 10 40 EGCB CN(Cc1ccc(N2CCCCC2)cc1)c1cn[nH]c(=O)c1Cl 32806467 WEOGAVJEZWEZDO-UHFFFAOYSA-N 332.835 3.050 10 40 EGCB COc1ncccc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 46544344 ANVJXGIQKDGJGG-UHFFFAOYSA-N 339.439 3.353 10 40 EGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccc(Cl)c2)C1=O 408868506 MUCLZJFFCWIIRS-GXDHUFHOSA-N 340.766 3.315 10 40 EGCB Cc1cccc(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c1C 409138382 AWVRMOZRQNOTNU-UKTHLTGXSA-N 342.445 3.196 10 40 EGCB Oc1ccc2ccncc2c1CN1CCN(Cc2ccsc2)CC1 21998144 YHDDRYZFEQIHKK-UHFFFAOYSA-N 339.464 3.320 10 40 EGCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 185536 HZKYZJVWCQCBIB-IZZDOVSWSA-N 349.173 3.160 10 40 EGCB Cc1cc(C(=O)OCC(=O)NC(C)(C)C)c(C)n1-c1ccc(F)cc1 3349701 QNTJAFRUZTXOLJ-UHFFFAOYSA-N 346.402 3.305 10 40 EGCB C=CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2C)SC1=S 33736384 KETLLRSSYQMAJD-ZROIWOOFSA-N 335.450 3.399 10 40 EGCB CC1CCN(C2=NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)CC1 4480311 WNQFZDISXWGGGH-OQLLNIDSSA-N 330.409 3.118 10 40 EGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\Nc3cc(C)ccc3C)C2=O)c1 95471554 OXVUGIMZSFYUGL-LFIBNONCSA-N 349.390 3.191 10 40 EGCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCc1cccnc1 100111189 YSCVXXTZFRXHCK-GHRIWEEISA-N 338.386 3.397 10 40 EGCB COc1ccc(C(=O)OCC2(C)COC2)cc1-n1c(C)ccc1C 97230545 XVGWOUFTRHSQCP-UHFFFAOYSA-N 329.396 3.296 10 40 EGCB CCOC(=O)CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 33326966 NTKKKOKZERQNRI-DEKJKZHBSA-N 333.434 3.007 10 40 EGCB Cc1cc(C(=O)NC2CCC(O)CC2)c(C)n1-c1ccc(F)cc1 78260141 DWQYLTOJMZRNBS-UHFFFAOYSA-N 330.403 3.267 10 40 EGCB CN1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 22038760 AWPWKYKUKZMFHZ-UHFFFAOYSA-N 335.245 3.055 10 40 EGCB CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc([N+](=O)[O-])cc1O 9781646 FPEKMGJZMRNHLS-CYBMUJFWSA-N 345.380 3.450 10 40 EGCB CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)SC1=S 4596654 SAARDBICRTYIIQ-MDWZMJQESA-N 345.401 3.476 10 40 EGCB CC(=O)N1CC[C@H](NCc2ccc(N3CCCCC3)cc2)[C@H](C)C1 84714879 PLEWMJQRXFZMCP-UZLBHIALSA-N 329.488 3.023 10 40 EGCB c1cncc(-c2nnc3n2C[C@@H](CSc2nccs2)S3)c1 95465696 XKADCGLMYXWUMR-JTQLQIEISA-N 333.467 3.063 10 40 EGCB CCOC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1238352 RWUWJYADZAGEST-NHZNEZGNSA-N 347.461 3.397 10 40 EGCB CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(C)o3)C2=O)cc1 6784051 XTTXRENTONFBIU-GDNBJRDFSA-N 340.335 3.493 10 40 EGCB C[C@H](Cc1ccc(O)c(O)c1)Nc1ncnc2c1cnn2C(C)(C)C 96006326 OAMMWEMVPOFDFJ-LLVKDONJSA-N 341.415 3.036 10 40 EGCB CCOc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1 20507190 NQLTZCAYAOFPBJ-UHFFFAOYSA-N 342.439 3.008 10 40 EGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 27533572 VXDQDIVHBFUZKI-UGKVZGJGSA-N 337.422 3.146 10 40 EGCB COc1ccc(N2CCN(C(=O)Cc3cccc(Cl)c3)CC2)cc1 67789714 XLZRLOQHIRPUJG-UHFFFAOYSA-N 344.842 3.240 10 40 EGCB CN(C)c1ccc(CNC(=O)[C@@H]2COc3ccc(Cl)cc3C2)cc1 7243598 LLXDBFFWXMFKHC-HNNXBMFYSA-N 344.842 3.274 10 40 EGCB CCn1c(/C=C2\C(=O)N(C)c3ccc(C)cc32)nc2ccccc2c1=O 18009734 CYFOORLDVGLXGN-VBKFSLOCSA-N 345.402 3.242 10 40 EGCB Cc1cc(C(=O)CN2C(=O)CSC2=O)c(C)n1-c1ccc(F)cc1 7462952 FMFJASMIUHECIQ-UHFFFAOYSA-N 346.383 3.111 10 40 EGCB COc1ccc(N2CCN(C(=O)/C=C/c3ccsc3)CC2)cc1 7150218 ZHHZMSMACSXPRX-FARCUNLSSA-N 328.437 3.119 10 40 EGCB CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@H]2O 138881175 LCAZOMIGFDQMNC-VERUCKTNSA-N 346.423 3.258 10 40 EGCB endogenous,in-man Cc1nnc(S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)O)o1 7365758 DSWUGGXOBCFFJK-GXDHUFHOSA-N 331.397 3.196 10 40 EGCB C[C@H]1CN(c2ccc(CNC(=O)C[C@H]3C=CCC3)cc2F)C[C@@H](C)O1 48354818 PTLVNNLSWSSNMN-XHSDSOJGSA-N 346.446 3.412 10 40 EGCB N=C1/C(=C\c2ccc(F)cc2)C(=O)N=C2SC(C(F)(F)F)=NN12 5478153 CTDNYFUVTGMEON-REBVZNNKSA-N 342.277 3.007 10 40 EGCB CC(C)(C)N1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)SC1=S 5552097 FCJXQVMIEZDAMX-KHPPLWFESA-N 336.413 3.148 10 40 EGCB COc1ccc2nc3cc(Cl)ccc3c(NCCOCCO)c2c1 5374329 PWCFEJNYNHLMPH-UHFFFAOYSA-N 346.814 3.471 10 40 EGCB O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 18101285 IBQPVPAYKGKVEE-UHFFFAOYSA-N 332.768 3.355 10 40 EGCB COc1ccc2c(c1)CCN2CC(=O)Nc1ccnn1C1CCCC1 58943644 SMQCUKSWFATMRF-UHFFFAOYSA-N 340.427 3.008 10 40 EGCB COc1ccc(CN[C@H](C)c2ccc(N3CCN(C)CC3)cc2)cc1 71825380 DQIINXNHBWIGNH-QGZVFWFLSA-N 339.483 3.298 10 40 EGCB CC(=O)Nc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 13945526 CANFXJLHXUXWJQ-PTNGSMBKSA-N 329.425 3.101 10 40 EGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2cccn2C)S1 35043200 XAYAZQROXNWXJJ-ZROIWOOFSA-N 341.392 3.114 10 40 EGCB Cc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1C 19902730 BHMSQPOQKHBNOI-UHFFFAOYSA-N 326.440 3.226 10 40 EGCB Cc1ccc(N2NC(=O)/C(=C/c3cc(Cl)ccc3O)C2=O)cc1C 4460729 CCYNQATWMVMIPY-DHDCSXOGSA-N 342.782 3.124 10 40 EGCB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)cc(O)c1O 85412430 PTEBJNVVUJZLLE-AWEZNQCLSA-N 349.412 3.063 10 40 EGCB CC(C)(C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 34713522 SNKHDZFNGJKBGQ-LGMDPLHJSA-N 336.391 3.325 10 40 EGCB Nc1cccc2c1C(=O)c1c(NC(=O)c3ccccc3)cccc1C2=O 4522783 OTKLJHUTFZDDFF-UHFFFAOYSA-N 342.354 3.297 10 40 EGCB CCCOC(=O)CN1C(=O)/C(=C/c2sccc2C)SC1=S 1809444 JAYKDGDTOCJMRE-XFFZJAGNSA-N 341.479 3.211 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(Cl)c3)C2=O)cc1 446663 OXIMXCKKMVYLHP-XNTDXEJSSA-N 340.766 3.315 10 40 EGCB O=c1oc2c(CNCc3ccccn3)c(O)ccc2c2ccccc12 5354442 JKDFJWRAHKTZLP-UHFFFAOYSA-N 332.359 3.337 10 40 EGCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(O)cc1 408893231 LGDFYHMUQYJPKL-PDGQHHTCSA-N 349.386 3.265 10 40 EGCB Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(N(C)C)cc2)cc1 72328959 XASXRWNMYPWEDT-UHFFFAOYSA-N 334.423 3.381 10 40 EGCB Cc1ccc(/N=N\N(C)C)cc1NC(=O)NCC(=O)OC(C)(C)C 104234693 WAHCPDQLLUWZJA-VXPUYCOJSA-N 335.408 3.019 10 40 EGCB CC(C)Oc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cn1 58770033 UYMOJXAAMSDRSI-UHFFFAOYSA-N 339.439 3.181 10 40 EGCB CN(c1ccc(CNC(=O)N2CCC[C@H](O)C2)cc1)C1CCCCC1 65485932 SZXBYOXHRSIZQE-IBGZPJMESA-N 345.487 3.122 10 40 EGCB CN(Cc1ccccc1O)C(=O)NCc1csc(C(C)(C)C)n1 69557656 CRDJDIZYRGXMEL-UHFFFAOYSA-N 333.457 3.488 10 40 EGCB Cc1ccc(O)c([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c1 9008376 OKLWAQPBPBEIIL-OAHLLOKOSA-N 329.425 3.179 10 40 EGCB CCOC(=O)[C@@H](/N=N\c1ccc(C)cc1Br)C(C)=O 104243205 TWURBUNOBXNZFQ-SUQMRRJOSA-N 327.178 3.362 10 40 EGCB Cc1n[nH]c(C)c1CC(=O)N(Cc1ccco1)Cc1ccccc1O 252488190 INDSKDGRMFSXNR-UHFFFAOYSA-N 339.395 3.097 10 40 EGCB CC1(C)OC(=O)C(=CNc2nc3ccc(Cl)cc3s2)C(=O)O1 13999626 XPBFZGLGLTXURU-UHFFFAOYSA-N 338.772 3.082 10 40 EGCB CC1(C)[C@@]2(C(=O)Nc3cccc4cccnc34)CC[C@@]1(C)C(=O)C2=O 101421721 ISEZCPGSEAIFJM-PMACEKPBSA-N 336.391 3.138 10 40 EGCB COc1cccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c1 4614379 BLHNITWEQXPLSE-YVLHZVERSA-N 336.347 3.200 10 40 EGCB O=C1N=C(O)/C(=C/c2ccc(O)cc2)C(=O)N1c1ccccc1F 9059099 KYFOYHGUQYIOFT-XFXZXTDPSA-N 326.283 3.038 10 40 EGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\N(C)c1ccccc1C(=O)O 101141989 WQBXWNIVCGPQCD-ATVHPVEESA-N 349.390 3.436 10 40 EGCB Cc1cc(C)c2nc3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n3c2c1 4498101 YQQFNAPGEHWSDN-GZTJUZNOSA-N 349.459 3.140 10 40 EGCB O=C(NCc1c(O)cccc1O)Nc1ccc2c(c1)C(=O)CCCC2 1615571725 LZKSHVCHFVGALR-UHFFFAOYSA-N 340.379 3.329 10 40 EGCB CCOc1cc(Cl)c(/C=C2\SC(N)=NC2=O)cc1OCC 5127493 HBPHEPDQFUOZDR-SDQBBNPISA-N 326.805 3.066 10 40 EGCB Cc1ccc2[nH]c(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2c1 19770205 JRPFMVYQAJMUMM-UHFFFAOYSA-N 349.434 3.243 10 40 EGCB O=C(NCc1ccc(N2CCCC2)cc1)Nn1cnc2ccccc21 75118095 JEUHRFOHKISNTG-UHFFFAOYSA-N 335.411 3.090 10 40 EGCB COc1ccccc1-n1c(C)cc(C(=O)NCc2ccncc2)c1C 95478648 OCNISEIKLRSLLP-UHFFFAOYSA-N 335.407 3.428 10 40 EGCB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Cl)N(C)C)cc1 5097666 UIXTYABQKFINLH-SFHVURJKSA-N 345.874 3.439 10 40 EGCB O=C(C1CCN(Cc2c(O)ccc3ccccc23)CC1)N1CCCC1 28708765 OJGHMULLIJSLNX-UHFFFAOYSA-N 338.451 3.380 10 40 EGCB COCCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 4999681 GJVKGNNUIPQYMO-MNDPQUGUSA-N 349.434 3.338 10 40 EGCB COc1ccc2cc(C(=O)NCc3ccc4c(c3)CCCN4C)[nH]c2c1 83878070 JLFQJWXKTLWVRT-UHFFFAOYSA-N 349.434 3.489 10 40 EGCB O=C(NC1(Cl)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 226297317 LJUIBFWPHSTLJR-UHFFFAOYSA-N 334.158 3.084 10 40 EGCB COc1ccc(-n2c(C)cc(C(=O)CSc3ncn[nH]3)c2C)cc1 11340736 VTIIIFLAHCDQMZ-UHFFFAOYSA-N 342.424 3.196 10 40 EGCB CN(Cc1ccccc1O)C(=O)NCC1(c2ccc(F)cc2)CC1 79513656 JHHLZBLDEFYOPG-UHFFFAOYSA-N 328.387 3.405 10 40 EGCB CCCCCN1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S 2666881 JFPZDUQOEJDKCD-OUKQBFOZSA-N 332.450 3.400 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C1\C(=O)N(c2ccccc2)N=C1C 102151951 YICZCQJFRONCSB-ZCXUNETKSA-N 344.374 3.128 10 40 EGCB COc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1 409137074 WGKRJAPDKBCHQD-PTNGSMBKSA-N 338.388 3.096 10 40 EGCB C[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 216917978 OWHXCSLWVHSXHX-FUHWJXTLSA-N 329.488 3.196 10 40 EGCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc[nH]3)S2)c(OC)c1 5372850 VMFIOKMOKSDRTI-RIYZIHGNSA-N 329.381 3.114 10 40 EGCB Cc1ccccc1NCc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 216736860 CLTKFMHQIXWIDW-UHFFFAOYSA-N 327.384 3.352 10 40 EGCB CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 10433387 BXLSSTDGCWINAW-UHFFFAOYSA-N 343.452 3.093 10 40 EGCB COc1cc2c(cc1OC)[C@@H](C)N(CCc1ccc(N)cc1)CC2 829 KUYSNZZXTMKUTK-CQSZACIVSA-N 326.440 3.448 10 40 EGCB in-man CCOC(=O)[C@@H](/N=N\c1ccc(Br)c(C)c1)C(C)=O 104243183 MRGKSZSPFMDFKI-SUQMRRJOSA-N 327.178 3.362 10 40 EGCB COc1cccc(-c2cnc(NCc3cccc(OC)c3O)n2C)c1 9805700 FASFRMZDHZTSAS-UHFFFAOYSA-N 339.395 3.422 10 40 EGCB Cc1ccccc1-n1c(C)cc(C(=O)NC2CCC(O)CC2)c1C 9367914 XSQKQXJMEWAYIS-UHFFFAOYSA-N 326.440 3.436 10 40 EGCB CN1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S 97995883 RHWAVZXSMYMHSX-UITAMQMPSA-N 332.219 3.419 10 40 EGCB CCn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccco2)cn1 6490266 OSZGRZHIRDELLS-LFIBNONCSA-N 332.363 3.331 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2cccn2)cc1 9477021 BUOBJTTYTKAWMM-UHFFFAOYSA-N 334.423 3.211 10 40 EGCB CC(C)Cc1noc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 69595232 CFVLUBUHWOJVGY-MRXNPFEDSA-N 345.443 3.155 10 40 EGCB Cc1ccc(-n2c(C)cc(/C=C3\NC(=S)NC3=O)c2C)cc1C 15723885 DYTIONWLDVSGHI-SXGWCWSVSA-N 325.437 3.056 10 40 EGCB CNc1nc(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc12 24599146 TUWSDHSHGJRTSJ-UHFFFAOYSA-N 341.392 3.058 10 40 EGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 6635881 OBXUPGFMBXWKFX-UBYNWHESSA-N 325.411 3.124 10 40 EGCB COc1ccc(N2CCC(NC(=O)CCc3ccccc3)CC2)cc1 69518222 CAAJNRHCJHQMCJ-UHFFFAOYSA-N 338.451 3.413 10 40 EGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/C=C/Nc2ccccc2)C1=O 4817410 CLXRCDAPFXURLT-LZHOECQMSA-N 347.374 3.130 10 40 EGCB CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 7146274 XAQPJTPSADZSOH-UHFFFAOYSA-N 338.860 3.227 10 40 EGCB CCOC(=O)[C@@H](/N=N/c1ccc(Br)c(C)c1)C(C)=O 104243189 MRGKSZSPFMDFKI-VVLLMFOMSA-N 327.178 3.362 10 40 EGCB C[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 65606797 UYQQXWVMVYWDFN-TYNCELHUSA-N 342.361 3.184 10 40 EGCB CN(C)c1ccc(/C=C/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409241027 MXZMBBVRJWUCAS-AVSIYSEJSA-N 347.418 3.402 10 40 EGCB CN(C)c1ccc(CNc2nccc3c2C(=O)OC3(C)C)cc1F 79002446 LSYIZSBDCVCRRB-UHFFFAOYSA-N 329.375 3.304 10 40 EGCB COc1ccccc1-n1c(C)cc(C(=O)NCc2ccccn2)c1C 95476060 WTDKLTQTJXKQAI-UHFFFAOYSA-N 335.407 3.428 10 40 EGCB COc1ccc(N2N=C(C)/C(=C(\C)NCc3ccco3)C2=O)cc1 100422780 LYPZEIWJIFQRQZ-ATVHPVEESA-N 325.368 3.075 10 40 EGCB Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1)N1CCOCC1)OCO2 20726982 ZVYDMWFVIVJDTC-GOSISDBHSA-N 347.798 3.196 10 40 EGCB O=C1/C(=C\c2ccccc2O)SC(=S)N1CN1CCCCC1 13409531 KULUXWLTWDVJLP-GXDHUFHOSA-N 334.466 3.037 10 40 EGCB CC(C)(C)NC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 1235712 SOCLGDBQMYZUCQ-QBFSEMIESA-N 348.493 3.193 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccccc2)[nH]n1 8280672 SJDDDJICMHISTA-UHFFFAOYSA-N 334.423 3.415 10 40 EGCB Cn1cccc1/C=C1/C(=O)N(c2cccc(Cl)c2)C(=S)N=C1O 1261317 HVNPYWGQHZTHFA-UKTHLTGXSA-N 345.811 3.350 10 40 EGCB Oc1cc2c(cc1CN1CCN(c3ccccc3F)CC1)CCC2 12637570 PTLLIWWZWKZNCH-UHFFFAOYSA-N 326.415 3.342 10 40 EGCB O=C(O)CCCN1C(=O)/C(=C\c2ccc(Cl)s2)SC1=S 14177046 WQXPKEOQZUIULB-SOFGYWHQSA-N 347.870 3.468 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc2c(c1)OCO2 21972957 XAHRYSYTTQIQEE-UHFFFAOYSA-N 340.423 3.073 10 40 EGCB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1ccc(N(C)C)cc1 5979534 AAQLSAZERGAYCC-MRXNPFEDSA-N 347.484 3.295 10 40 EGCB O=C(Cc1ccc(F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 69653749 BHMYRPAVKJRSST-GOSISDBHSA-N 343.398 3.282 10 40 EGCB Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@H](C)[C@H](O)C2)c1C 95459355 JXTRXGAGWWLPOO-IFXJQAMLSA-N 326.440 3.245 10 40 EGCB Cn1c(/N=N\c2ccc(N3CCOCC3)cc2)[n+](C)c2ccccc21 18121012 PFNPZUAEZZISNX-UHFFFAOYSA-N 336.419 3.255 10 40 EGCB CCCOC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 4859607 CBELCQRABBKNTL-PKNBQFBNSA-N 341.479 3.293 10 40 EGCB Cc1ccc2c(c1NC(=O)c1ccncc1)C(=O)c1ccccc1C2=O 3847597 DLWMJHQGXKJBSP-UHFFFAOYSA-N 342.354 3.418 10 40 EGCB biogenic Fc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1 225419914 AXNOXGSLANZEGS-UHFFFAOYSA-N 345.443 3.149 10 40 EGCB Cc1cc(CO)c(C)n1-c1ccc(I)cc1 6714417 QFGMTEQGPKRMKA-UHFFFAOYSA-N 327.165 3.191 10 40 EGCB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccccc1Cl 409189838 UCCRLTMTODYNLY-NTEUORMPSA-N 329.787 3.270 10 40 EGCB Cc1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c(C)n1-c1ccccn1 71796796 NSZISHRNZUDECO-SFHVURJKSA-N 349.438 3.200 10 40 EGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc[nH]3)S2)cc1 6562995 ONZCRWXHWAQOBZ-ZROIWOOFSA-N 326.381 3.056 10 40 EGCB CN(C)c1ccc([C@H](Nn2cnnc2)c2cc(Cl)ccc2O)cc1 546461 UOOGTKYMXBVIQC-KRWDZBQOSA-N 343.818 3.036 10 40 EGCB CCOC(=O)CN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S 27530463 DCJQZZMZLWBNSO-USTLKGCXSA-N 347.461 3.397 10 40 EGCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(OC)c1O 176894 IPQASVQJNAYICK-DHDCSXOGSA-N 338.363 3.216 10 40 EGCB Cc1ccc2c(c1)S[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C2 10433428 GRIJHQGLVRAWMC-GOSISDBHSA-N 326.465 3.394 10 40 EGCB CC1(C)[C@@]2(C(=O)Nc3cccc4ncccc34)CC[C@@]1(C)C(=O)C2=O 101426395 FLMOPDSPNGCEHD-PMACEKPBSA-N 336.391 3.138 10 40 EGCB Cc1cc(C)nc(NNC(=S)Nc2ccc(F)c(Cl)c2)n1 7556703 NPUVILXPTRRMPB-UHFFFAOYSA-N 325.800 3.199 10 40 EGCB CN(C)Cc1c(O)ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc12 44663 GUCZMOOMBNDAOP-UHFFFAOYSA-N 335.363 3.104 10 40 EGCB CCc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1 3912305 MFAZBGBSJNSDCL-FQEVSTJZSA-N 339.484 3.420 10 40 EGCB CN(C)c1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 517131 GUSYCRWSCFVBNL-TWLJRWAQSA-N 347.462 3.390 10 40 EGCB biogenic NC1=Nc2nc3ccccc3n2[C@H](c2cc(Cl)cc(Cl)c2O)N1 18209507 SAMJRQNOFXVRHR-CYBMUJFWSA-N 348.193 3.145 10 40 EGCB COc1ccc(N(C)CCNC(=S)Nc2ccccc2F)cc1 225797855 VUVBEFNOKRSKMU-UHFFFAOYSA-N 333.432 3.257 10 40 EGCB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3O)=NN12 10213897 MTSXDFSNLZCSJN-SFHVURJKSA-N 349.434 3.358 10 40 EGCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC[C@@H]1CCCO1 103918066 OSOZREFNLGVEKD-CQUHBBLWSA-N 345.418 3.371 10 40 EGCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1c(C)nn(C)c1C 408755779 FLJDNZNKLVWVKI-OQLLNIDSSA-N 343.818 3.409 10 40 EGCB O=C(NC1=NN(c2ccccc2)C(=O)C1)Nc1cccc(Cl)c1 5603864 UMSUUXSWOUYAFX-UHFFFAOYSA-N 328.759 3.212 10 40 EGCB O=C1N=C(N2CCN3CCC[C@@H]3C2)S/C1=C/c1ccc(Cl)cc1 20607842 DNQNEKWKCMCXMI-MFYHJKBNSA-N 347.871 3.090 10 40 EGCB Cc1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c(C)n1C 409147845 NVSKHPWWBPUQES-NVNXTCNLSA-N 343.477 3.438 10 40 EGCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(N2CCOCC2)C1=O 27533746 FGNIWOLSPKZOKF-CEHLPYKYSA-N 346.477 3.081 10 40 EGCB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc2nsnc12 14232231 WBCXBQJHUXLSJF-UHFFFAOYSA-N 345.449 3.141 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)s3)C2=O)cc1 408901364 XMGRVYZACOBBRT-XYOKQWHBSA-N 346.795 3.376 10 40 EGCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] 28330517 IKCIJEOXJLCOFL-UHFFFAOYSA-N 325.368 3.125 10 40 EGCB CCOc1ccc(-n2c(C)cc([C@H]3NC[C@H](C(=O)O)S3)c2C)cc1 408977550 IXIHXDRPUPBPJJ-SJORKVTESA-N 346.452 3.281 10 40 EGCB Cn1cccc1/C=C1\SC(=S)N(c2ccc3c(c2)OCO3)C1=O 13769509 BQJCTQKNKCNBGJ-ZSOIEALJSA-N 344.417 3.160 10 40 EGCB COc1ccc(N(Cc2ccccc2O)C(=S)NC2CC2)cc1 7582055 YRJQUPZBUVIWID-UHFFFAOYSA-N 328.437 3.444 10 40 EGCB Cc1cc(C(=O)N2CCCN3CCC[C@H]3C2)c(C)n1-c1ccccc1 95392650 OEQNYSKMTROIMG-IBGZPJMESA-N 337.467 3.404 10 40 EGCB CN1C(=O)/C(=C2\SC(=S)N(C(C)(C)C)C2=O)c2ccccc21 5552059 PNVBXEZXBAEUMO-QXMHVHEDSA-N 332.450 3.033 10 40 EGCB COc1ccc(N2N=C(C)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 6674412 YVOYSSDTRXMICX-YBEGLDIGSA-N 338.363 3.216 10 40 EGCB Cc1cc(=O)n2nc(N)c(/N=N/c3cccc(C(F)(F)F)c3)c2[nH]1 4649651 JHLCPMSUCOJGDA-QZQOTICOSA-N 336.277 3.347 10 40 EGCB CCc1ccc(N2C[C@@](O)(c3cccs3)[N+]3=C2SCCC3)cc1 15953398 NIGARXRJMKQBDE-GOSISDBHSA-N 345.513 3.481 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(F)c([N+](=O)[O-])c1 44826990 ORGZOHXFQADIMN-UVTDQMKNSA-N 340.314 3.452 10 40 EGCB C[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)C1 573408 ZJCPGYMEEDXTFE-LWHXSLQUSA-N 330.409 3.118 10 40 EGCB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccccc1 5635788 VRTSEGAFNYRGNE-UHFFFAOYSA-N 348.402 3.455 10 40 EGCB CC1(C)[C@@H]2CC[C@]1(C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2=O 100198382 HDRBYMPWWLJACJ-BDJLRTHQSA-N 339.313 3.218 10 40 EGCB Cc1cc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)no1 7752209 NLQOPJHSTRYDPG-UHFFFAOYSA-N 347.326 3.115 10 40 EGCB COc1ccc(N2CCC(NC(=O)CCc3ccsc3)CC2)cc1 69772353 BCODFWLLTVBUNW-UHFFFAOYSA-N 344.480 3.475 10 40 EGCB COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)cc1 13777592 JXBLCRKRNDYWHK-JLHYYAGUSA-N 340.310 3.341 10 40 EGCB COc1ccc(N2CCC(N(C)CCc3ccncc3)CC2)cc1 72801193 PQLSIYVAABQNQP-UHFFFAOYSA-N 325.456 3.234 10 40 EGCB Cc1cn2c(CN(C)C(=O)c3ccc(C)c(O)c3O)c(C)nc2s1 97236664 UTZANFNBJWZVCW-UHFFFAOYSA-N 345.424 3.004 10 40 EGCB Oc1cc2c(cc1[C@H](c1ccc3c(c1)OCO3)N1CCCC1)OCO2 44742 NVESCVKOTAWAFE-IBGZPJMESA-N 341.363 3.035 10 40 EGCB biogenic Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccs3)C2=O)c1 4853842 XZQWZRUVDSLHOW-NTEUORMPSA-N 326.377 3.031 10 40 EGCB CCCCc1cc(=O)oc2c(CN[C@H](C(=O)O)C(C)C)c(O)ccc12 2121640 CBPWFNJOVAQVIC-KRWDZBQOSA-N 347.411 3.040 10 40 EGCB biogenic Cc1ccc([C@]2(O)CN(c3ccccc3C)C3=[N+]2CCS3)cc1 15973953 RNJKCXKJZCORTR-LJQANCHMSA-N 325.457 3.084 10 40 EGCB CS(=O)(=O)c1ccccc1NCCCSc1nccs1 89492992 LMSOUTXPOCWXDP-UHFFFAOYSA-N 328.484 3.141 10 40 EGCB COc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2O)c(OC)c1 71792520 KZSMEDIWALHQKD-LLVKDONJSA-N 332.356 3.168 10 40 EGCB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(N(C)C)cc1 33297576 UULQWQZZJJLJPF-LDADJPATSA-N 349.390 3.257 10 40 EGCB Cc1cccc(C)c1OCC(=O)N(C)Cc1ccc(N(C)C)cc1 18150351 RBPFJIULQWLBNC-UHFFFAOYSA-N 326.440 3.407 10 40 EGCB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCSCC1 4837023 PXHLFOSBODVNGA-VHEBQXMUSA-N 348.428 3.401 10 40 EGCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/NC(=O)NC2=O)c1C 453373 MBIXXZHUJVLWHK-RIYZIHGNSA-N 329.787 3.236 10 40 EGCB Nc1ccc(Oc2cc(O)c3c(c2N)C(=O)c2ccccc2C3=O)cc1 4797357 IAWPXSAICHAUBP-UHFFFAOYSA-N 346.342 3.124 10 40 EGCB COc1ccc(N2CCC(NC(=O)N(C)Cc3ccco3)CC2)cc1 69739370 KGZIOUTZNAWALB-UHFFFAOYSA-N 343.427 3.099 10 40 EGCB C[C@H]1CCCN(c2ccc(CNC(=O)CC3CCN(C)CC3)cc2)C1 216904951 WWGNPOMHIWAMFI-KRWDZBQOSA-N 343.515 3.271 10 40 EGCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1276889 BKGPFKLPSMIHOR-CLUBXZQOSA-N 341.841 3.103 10 40 EGCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374604 YDTZKSDZBWOXTE-SUIFULHWSA-N 344.417 3.042 10 40 EGCB C[C@H]1CN(c2ccc(CNC(=O)C3CCCC3)cc2F)C[C@@H](C)O1 55529629 MMFJUOHYXKJLIA-OKILXGFUSA-N 334.435 3.246 10 40 EGCB COc1ccc(N2CCC(NC(=O)NCc3ccccc3)CC2)cc1 65613878 DXPTYWWSVJGJIL-UHFFFAOYSA-N 339.439 3.163 10 40 EGCB Cc1c(O)cccc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 95978643 AOOYZBOHBWHDEP-MRXNPFEDSA-N 341.407 3.228 10 40 EGCB O=C1c2ccccc2C(=O)c2c1ccc1c2-c2ccccc2S1(=O)=O 78546367 WIELNDJKCYSPRT-UHFFFAOYSA-N 346.363 3.275 10 40 EGCB CCCCc1cc(=O)oc2c(CN[C@H](CCC)C(=O)O)c(O)ccc12 11866888 BIZSJKMJQGGFJH-OAHLLOKOSA-N 347.411 3.184 10 40 EGCB CCCN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)SC1=S 9188411 QKVVPFDTMSNKBM-WQLSENKSSA-N 339.438 3.021 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)Cc1ccc2c(c1)OCCO2 66096819 VSEYWBIEKGGDOW-UHFFFAOYSA-N 341.407 3.145 10 40 EGCB O=C1OC(c2ccccc2)OC(=O)C1=Cc1ccc(N2CCCC2)cc1 387317 VZOWQQPBAKXNTD-UHFFFAOYSA-N 349.386 3.469 10 40 EGCB O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccccc1F 47326130 MYFKLJILRWJBDJ-UHFFFAOYSA-N 347.365 3.123 10 40 EGCB CCc1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 32109786 GGQLVMLCOWGFLH-YBEGLDIGSA-N 326.783 3.364 10 40 EGCB Cc1cn2c(/C=C/C(=O)N3CCCc4ncccc43)c(C)nc2s1 25673942 UYQNNWHSLAIRJZ-BQYQJAHWSA-N 338.436 3.400 10 40 EGCB CCOC(=O)[C@@]1(c2ccccc2)NN=C(c2ccc(C)cc2)S1 35906086 ZJCCIAASDMLZIQ-SFHVURJKSA-N 326.421 3.409 10 40 EGCB CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2CCOC)c1O 25309996 GYPOUEBALFWJNT-SFHVURJKSA-N 342.395 3.004 10 40 EGCB CCCCc1noc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 69708864 UJJZDXOPNHZBPI-INIZCTEOSA-N 345.443 3.299 10 40 EGCB O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1 970083 LRJOSLONWMZEPF-XFXZXTDPSA-N 346.458 3.294 10 40 EGCB COc1ccccc1N1C(=O)/C(=C/c2cccn2C)SC1=S 2440704 ILYZEABLZNDFAN-UVTDQMKNSA-N 330.434 3.440 10 40 EGCB O=C1NC(=S)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13147661 DNCIZVIDQRGWMB-GHXNOFRVSA-N 332.362 3.344 10 40 EGCB O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccnc1 69453660 FJXBGAVHICZRRD-UHFFFAOYSA-N 347.365 3.082 10 40 EGCB COc1ccc(N2CCN(Cc3cc4c(cc3O)CCC4)CC2)cc1 5939238 DQCQUKZQVRZXPQ-UHFFFAOYSA-N 338.451 3.212 10 40 EGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1 95592302 OVRJHKGJQSEERX-UHFFFAOYSA-N 332.469 3.320 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)cc1 87558 YDZYEUWRQZNLJF-MHWRWJLKSA-N 345.358 3.143 10 40 EGCB biogenic CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N/c1ccc(Cl)cc1 104204100 PVWSZUQCZGCZPJ-YISVQYQQSA-N 341.758 3.246 10 40 EGCB O=C(NCc1ccc(N2CCOCC2)cc1)c1sccc1C1CC1 67232366 NVRWFXIWPIMFKV-UHFFFAOYSA-N 342.464 3.392 10 40 EGCB CCN1/C(=C/C=C2C(=O)OC(C)(C)OC2=O)Sc2ccccc21 12412110 NFWJPFQJTCZGAA-UVTDQMKNSA-N 331.393 3.223 10 40 EGCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(O)cc1 13655860 BWXXUFGRRUXBMA-ZSOIEALJSA-N 330.434 3.289 10 40 EGCB Cc1ccc(N(C)CCNC(=S)Nc2ccc3c(c2)OCO3)cc1 225795483 UAEJTYCAJGJPBV-UHFFFAOYSA-N 343.452 3.147 10 40 EGCB CCc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(N)=S)cc1 252506091 VXYIVIAUWJOYPO-QGZVFWFLSA-N 325.437 3.349 10 40 EGCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1C 9367659 JGDPLZFIMGCMLQ-UHFFFAOYSA-N 338.451 3.412 10 40 EGCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S 1769029 HZTQRMPYZITWJE-UVTDQMKNSA-N 349.477 3.403 10 40 EGCB CC(C)SC1=NSC2=NC(=O)/C(=C\c3ccc(O)cc3)C(=N)N21 4916963 ZOWRVPKDSARLHB-RQWODAFVSA-N 346.437 3.110 10 40 EGCB O=C(Cc1nc(-c2ccc(O)c(O)c2)cs1)NCc1ccccc1 24280905 CBHMFMVWUBZIOS-UHFFFAOYSA-N 340.404 3.080 10 40 EGCB CCOCc1cc(CNC[C@@H]2CCCn3cc(C)nc32)ccc1OC 89987048 LBYYZKAHRBBQRA-KRWDZBQOSA-N 343.471 3.404 10 40 EGCB Cc1ccccc1NS(=O)(=O)c1c(Cl)ccc2nsnc12 32579224 FFUPMQNITMKMMZ-UHFFFAOYSA-N 339.829 3.454 10 40 EGCB CC(C)N1c2ccc(/C=C3/NC(=O)NC3=O)cc2[C@H](C)CC1(C)C 260564917 FVKYZDUBQYYQMU-KMHUVPDISA-N 327.428 3.368 10 40 EGCB Cc1ccccc1-n1cccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 108920425 WCGFQUHREWWJPL-JXAWBTAJSA-N 343.386 3.247 10 40 EGCB COc1ccc(O)c(CNC(=O)CCC(=O)c2cc(C)sc2C)c1 69843816 DIADRNMKNKNUHM-UHFFFAOYSA-N 347.436 3.358 10 40 EGCB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 356229 AZEDIJRJAPSNFS-NTEUORMPSA-N 333.174 3.455 10 40 EGCB O=C(O)CCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 5816392 OPNDXLNWPYYXSV-YFHOEESVSA-N 327.814 3.016 10 40 EGCB CCOc1ccc(/C=C2\SC(N3CCCC3)=NC2=O)cc1OC 15015246 OVUOJGWWMUTEJF-PTNGSMBKSA-N 332.425 3.160 10 40 EGCB Cc1ccc2[nH]c(C)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c2c1 98086483 ZCYRJEULAOTZBK-MLPAPPSSSA-N 346.433 3.071 10 40 EGCB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc2c(c1)OCO2 3298606 DSPUUXVNYHJXTN-OQLLNIDSSA-N 330.409 3.308 10 40 EGCB COC(=O)c1c(C)sc([C@H](O)C(=O)c2ccc(Cl)cc2)c1O 6667792 DCIGUBPRPOQFEO-CYBMUJFWSA-N 340.784 3.118 10 40 EGCB CCN(CC)c1ccc(/N=N/c2c([N+](=O)[O-])c(C)[n+](C)n2C)cc1 4728686 DNNSSZPRLBWADX-UHFFFAOYSA-N 331.400 3.328 10 40 EGCB CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2F)N(C)C)cc1 5097707 VBZDMCFBHZCPCS-KRWDZBQOSA-N 347.409 3.064 10 40 EGCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@@H]1/N=N/c1ccc(Cl)cc1 104204096 PVWSZUQCZGCZPJ-ATQAJOFPSA-N 341.758 3.246 10 40 EGCB N=C1/C(=C/c2ccco2)C(=O)N=C2SC(Cc3cccs3)=NN12 465334 CMUJOOWHVNOPMT-KNSKNOLWSA-N 342.405 3.203 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)C1=NO[C@@H](c2ccccc2)C1 52984443 YFQNYVZUPJXMIU-LJQANCHMSA-N 337.423 3.229 10 40 EGCB CN(C)c1ccc([C@H]2C=C(C(=O)O)Nc3nc4ccccc4n32)cc1 102243798 NXFLAZUAZVLECC-QGZVFWFLSA-N 334.379 3.086 10 40 EGCB Cc1cc(C)cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 65203210 UTPMUUYHLJMDEI-LCYFTJDESA-N 335.450 3.369 10 40 EGCB Cc1nc(CN[C@H](C)c2ccc(N3CCN(C)CC3)cc2)cs1 71825378 MPRAQSUUAASIKQ-CQSZACIVSA-N 330.501 3.054 10 40 EGCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cccs2)C1=O 409220719 DVYNCFCJJGNZTA-DHZHZOJOSA-N 346.795 3.376 10 40 EGCB Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1cccc(Cl)c1 448581 XLBQSUOAZWNYJB-VGOFMYFVSA-N 331.828 3.093 10 40 EGCB CCn1cnnc1CNC(=O)/C=C/c1cc(C)n(-c2ccccc2)c1C 47021629 WINVJQNRDIBYQO-ZHACJKMWSA-N 349.438 3.035 10 40 EGCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 5374045 VSEKXUGNKDYGLQ-ZLNXOTNDSA-N 341.479 3.449 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3)C2=O)cc1Cl 408984573 JCONWHXNAFUPKP-ZROIWOOFSA-N 340.766 3.315 10 40 EGCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccs3)C(=O)NC2=S)c1 409250078 MHNHCVOTGBLZBL-UKTHLTGXSA-N 342.445 3.196 10 40 EGCB Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408993872 XPQMQBSDLLTNJY-XYOKQWHBSA-N 346.795 3.376 10 40 EGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1F 563174 WLSZGSADJVHQFM-PTNGSMBKSA-N 329.371 3.441 10 40 EGCB O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CN1CCCCC1 33392128 JPZQLPGNIPOVPS-UVTDQMKNSA-N 336.457 3.470 10 40 EGCB COc1ccc(N2CCN(c3ncnc4ccsc34)CC2)cc1 12533915 NUGMFJBETQJKOC-UHFFFAOYSA-N 326.425 3.027 10 40 EGCB CN(C)c1ccc(CN2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 49169569 LTVQFOKARDDGIA-KRWDZBQOSA-N 349.438 3.187 10 40 EGCB biogenic,in-vitro Cc1n[nH]c(-c2ccc(NC(=O)N(C)Cc3ccccc3O)cc2)n1 69627519 HROTYFLCNDNZRJ-UHFFFAOYSA-N 337.383 3.150 10 40 EGCB CC(=O)c1ccc(NC2=NC(=O)/C(=C\c3cccn3C)S2)cc1 5374470 BDHKUBGEDQDNCR-XNTDXEJSSA-N 325.393 3.310 10 40 EGCB CN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC1=S 4508950 DFEYVFOEFHVCDZ-UKTHLTGXSA-N 345.405 3.217 10 40 EGCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1O 4680374 AFZIELYIEQSPLD-VBKFSLOCSA-N 341.407 3.398 10 40 EGCB COc1ccc(CCNCc2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 34863233 ZDJASAZOZCQUEW-UHFFFAOYSA-N 329.400 3.002 10 40 EGCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC[C@H]1CCCO1 103918072 OSOZREFNLGVEKD-OKSBFYSISA-N 345.418 3.371 10 40 EGCB O=S(=O)(Nc1cccc(Cl)c1F)c1cccc2nsnc12 19110010 WMUJDIGUOVZMCL-UHFFFAOYSA-N 343.792 3.285 10 40 EGCB Cc1c(C(=O)NCCCSc2nccs2)cccc1[N+](=O)[O-] 74136223 XAFYICSVIIKKJB-UHFFFAOYSA-N 337.426 3.272 10 40 EGCB CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(F)cc2)N(C)C)cc1 22418274 APRBIINGNYNFLZ-SFHVURJKSA-N 344.434 3.316 10 40 EGCB CCCCCN/C(C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 100912688 OHKUOXNMAPQHTG-FOWTUZBSSA-N 330.388 3.371 10 40 EGCB Cc1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 53535784 DONUVDNLXIESFC-UHFFFAOYSA-N 341.480 3.318 10 40 EGCB CN(c1ccc(CNC(=O)N2CCC[C@@H](O)C2)cc1)C1CCCCC1 67711345 SZXBYOXHRSIZQE-LJQANCHMSA-N 345.487 3.122 10 40 EGCB CCN(CC)Cc1c(O)ccc(C(=O)Cc2ccccc2OC)c1O 23135297 OSJUEBYEKNBHIQ-UHFFFAOYSA-N 343.423 3.374 10 40 EGCB biogenic O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 340238 HPECCBUHLXJVOT-XDJHFCHBSA-N 347.418 3.138 10 40 EGCB Cc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2C)cc1 22225879 AVEAODFLDHCVMP-UHFFFAOYSA-N 342.424 3.423 10 40 EGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(O)c1 108265816 XGVXXZVNZXUSDD-YBEGLDIGSA-N 329.396 3.111 10 40 EGCB O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cccc2nonc12 14225375 ICZNDFSQPXLOBK-UHFFFAOYSA-N 343.286 3.042 10 40 EGCB CC[C@H](C)Oc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409400957 WLJFUQYSGDIZLX-ZSRMJVKVSA-N 336.391 3.325 10 40 EGCB Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(C3CC3)CC2)cc1 58418133 UDOPVJJNHNHINU-UHFFFAOYSA-N 337.467 3.404 10 40 EGCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(O)cc1 83505 SUUMLJOPGQHDRW-ATVHPVEESA-N 341.407 3.398 10 40 EGCB O=C1NC(=S)S/C1=C\c1cccc(OC(=O)c2ccccc2)c1 12375940 NVCYPDIMHXGUSQ-UVTDQMKNSA-N 341.413 3.395 10 40 EGCB CN1C(=O)/C(=C\c2ccc(C(=O)c3ccccn3)cc2)SC1=S 28296835 AHGJCEWBLYAAKV-GXDHUFHOSA-N 340.429 3.144 10 40 EGCB O=C1N=C(N2CCCCCC2)S/C1=C\c1ccc([N+](=O)[O-])cc1 9188851 NUNHRPPTSDSWDT-KAMYIIQDSA-N 331.397 3.441 10 40 EGCB Cc1cc(=O)oc2c(C3=NN(C=O)[C@@H](c4ccccc4)C3)c(O)ccc12 17194140 QLTDYGIOVYGJHR-MRXNPFEDSA-N 348.358 3.115 10 40 EGCB CCOc1cc2c(cc1/C=C1\SC(=S)N(CC)C1=O)OCO2 6144872 SVIPFNCIRSFDFS-MLPAPPSSSA-N 337.422 3.035 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(F)cc3)C2=O)cc1C 6858391 KXSACIINLBKBCI-YBEGLDIGSA-N 338.338 3.109 10 40 EGCB CCN(CC)c1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1 409146950 UOWADSIXQUQTMR-NTCAYCPXSA-N 334.441 3.216 10 40 EGCB O=C1N=C(N2CCc3ccccc3C2)S/C1=C\c1cccc(O)c1 199825 IZYRVFIITKBJMX-BOPFTXTBSA-N 336.416 3.421 10 40 EGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(F)c(F)c1 12632915 CTXNSGCAIHIRJR-UHFFFAOYSA-N 346.377 3.074 10 40 EGCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1C(F)(F)F 16957102 XMGUKYDBNZURTF-XFXZXTDPSA-N 342.342 3.008 10 40 EGCB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)c1 2446749 IPYQKUSAYRQBNG-JYRVWZFOSA-N 342.401 3.186 10 40 EGCB COc1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)ccc1O 13547678 RYEAJPWCDXUMNK-PTNGSMBKSA-N 332.425 3.247 10 40 EGCB CNC(=O)CSc1ncc(-c2ccc(C)cc2)n1Cc1ccco1 44086207 GBBQBDTYGNBDRL-UHFFFAOYSA-N 341.436 3.338 10 40 EGCB COc1ccc(/N=N/C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 17261100 QEEFJGYSUOAAFS-CVTQAYBASA-N 327.340 3.184 10 40 EGCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccco3)SC2=S)c1 5410474 VRPQUHSRDPZSRE-XYOKQWHBSA-N 331.374 3.384 10 40 EGCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1ccc2c(c1)OCO2 5374651 IGGDAQHHDNBSHS-MLPAPPSSSA-N 330.390 3.149 10 40 EGCB COc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C)C3)CC2)cc1 69776018 VCICBGRAZZBLFT-OAHLLOKOSA-N 331.460 3.106 10 40 EGCB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 58268747 ZGSIRPXWLSXNAX-HXUWFJFHSA-N 337.423 3.459 10 40 EGCB Cc1cc(C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)c(C)n1-c1ccccn1 97233336 DWHNDKBTHMYWRB-WMZOPIPTSA-N 341.455 3.112 10 40 EGCB O=C(Cc1cccc(Cl)c1Cl)NCCc1ccc(O)c(O)c1 194364624 FMTHEMVPJFVJCV-UHFFFAOYSA-N 340.206 3.306 10 40 EGCB CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)C(O)=NC1=S 5823047 PKYAYTAPOLHRLG-SDNWHVSQSA-N 331.441 3.020 10 40 EGCB Cc1nc2ccccc2nc1SCC(=O)c1ccc(O)c(O)c1 28191003 YAGCOPGDGLCFSS-UHFFFAOYSA-N 326.377 3.324 10 40 EGCB Cc1cn2nc(N[C@H](C)c3ccc(N4CCOCC4)cc3)sc2n1 71831032 JRYZQYJNKHTASM-CYBMUJFWSA-N 343.456 3.109 10 40 EGCB O=C1/C(=C/c2ccccc2F)SC(=S)N1CN1CCCCC1 33326292 UWAMEYNNCRZBFG-UVTDQMKNSA-N 336.457 3.470 10 40 EGCB COc1ccccc1/C=C1/C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 13774034 CNLQJLIWUSHMNC-GXDHUFHOSA-N 340.310 3.341 10 40 EGCB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(N(C)C)cc1 4498604 XQNWEBDHUKPBFV-LGMDPLHJSA-N 343.496 3.485 10 40 EGCB Cn1cc(CNCc2ccc(N3CCCC3)cc2)c(-c2ccncc2)n1 97159944 GEQISCKLTZSDBC-UHFFFAOYSA-N 347.466 3.372 10 40 EGCB CCN(Cc1cc(=O)n2c(C)csc2n1)c1ccc(OC)cc1 15731907 BPHMYJYTMLZRKL-UHFFFAOYSA-N 329.425 3.100 10 40 EGCB C[C@@H](Sc1nccs1)C(=O)NC(=O)Nc1ccccc1F 52914629 UYANTNLKPIJKEW-MRVPVSSYSA-N 325.390 3.111 10 40 EGCB NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1 6589122 LSEFVWVTOYJMCV-UHFFFAOYSA-N 341.411 3.315 10 40 EGCB Cc1ccccc1N1C(=O)/C(=C/c2sccc2C)C(=O)NC1=S 478895 OJIKYFZKHMWIAV-FMIVXFBMSA-N 342.445 3.196 10 40 EGCB COc1ccc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 69158069 IJGXDRUJIVBJBE-UHFFFAOYSA-N 344.842 3.240 10 40 EGCB COc1ccccc1-c1nnc2n1N[C@@H](c1ccccc1O)S2 3843175 RYWBJGKUZAPHMV-OAHLLOKOSA-N 326.381 3.007 10 40 EGCB biogenic Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(O)cc1 15799820 OUGARNCYKMSHLW-DHDCSXOGSA-N 328.393 3.466 10 40 EGCB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 4687771 ORIZEWLEDYPLOP-HKJJFUAXSA-N 346.452 3.358 10 40 EGCB CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2C)c2ccccc21 33414343 BJZFEOTUEBKDMJ-DTQAZKPQSA-N 345.402 3.231 10 40 EGCB O=C(O)CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 966824 NEACZKMYFFINAR-JXMROGBWSA-N 327.814 3.016 10 40 EGCB Cc1cc(C)cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097730 MPZCNFYWQVVPOQ-HXUWFJFHSA-N 339.483 3.402 10 40 EGCB Cc1ccc(CN[C@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)o1 71825364 UJHZCIPBAINJKB-OAHLLOKOSA-N 331.435 3.330 10 40 EGCB Cc1ccc(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)cc1Cl 409231613 DDFNTHVLOFOEHX-WUXMJOGZSA-N 346.795 3.073 10 40 EGCB CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCCC1 44085611 DWEMCMMRSSDLOL-UHFFFAOYSA-N 345.468 3.293 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccc(O)cc1 100423042 VNGZWCUIZXXLIO-RGEXLXHISA-N 335.407 3.221 10 40 EGCB COc1ccccc1N[C@@H]1SC(=O)N(c2ccc(F)cc2)C1=O 12112994 MGHUEOWJPPKEAS-CQSZACIVSA-N 332.356 3.472 10 40 EGCB CC(=O)Nc1ccc(/C=C2\SC(NC3CCCC3)=NC2=O)cc1 21313715 LAHAUORNAOYWNO-GDNBJRDFSA-N 329.425 3.148 10 40 EGCB COc1cccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 13122744 MJQQBOXPZXZXCU-GFAPJHNFSA-N 335.450 3.075 10 40 EGCB CN(C)c1ccc(CNC(=O)c2c(Cl)nc3ccccn23)cc1F 58975114 NRNYNWVBCPHOPU-UHFFFAOYSA-N 346.793 3.123 10 40 EGCB CCOc1cc2c(cc1OCC)[C@H](c1c(O)cccc1OC)NCC2 34594 STBWVSJNJBTCRE-HXUWFJFHSA-N 343.423 3.433 10 40 EGCB biogenic Cc1cc(C(=O)NCC2CCC2)c(C)n1-c1ccc2c(c1)OCCO2 26145038 SLPJRDWFSLJNQV-UHFFFAOYSA-N 340.423 3.395 10 40 EGCB CN(C)c1ccc(CNC2(Cc3cc(C(C)(C)C)on3)COC2)cc1 67897838 XLSDLLWJXZGEST-UHFFFAOYSA-N 343.471 3.139 10 40 EGCB biogenic,in-vitro CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(C)c(C)cc1O 8985367 KVXAKJAOJXGWFE-UHFFFAOYSA-N 344.430 3.286 10 40 EGCB Oc1ccccc1CN1CCN(c2cc(-c3ccccc3)n[nH]2)CC1 49421021 RJMPUHWPGAYIGY-UHFFFAOYSA-N 334.423 3.105 10 40 EGCB CCOc1cccc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)c1O 69518084 XYHADIVLDJYWLO-AWEZNQCLSA-N 338.411 3.222 10 40 EGCB CCCCN1C(=O)C(=Cc2ccco2)C(=O)N(CCCC)C1=S 2178726 VFOUWJUHHKAUOJ-UHFFFAOYSA-N 334.441 3.219 10 40 EGCB CN(Cc1ccc(C(N)=O)cc1)Cc1ccc(N2CCCCC2)cc1 11193254 UPYYLUKXVYEUHG-UHFFFAOYSA-N 337.467 3.408 10 40 EGCB COc1cc(C(=O)NCc2ccc(N(C)C)cc2)nc2ccccc12 72329596 FVMUWJHDOPSNNH-UHFFFAOYSA-N 335.407 3.239 10 40 EGCB Cc1cc2n(n1)C[C@@H](CNCc1ccc(N3CCCCC3)cc1)CN2 69817136 SMNPIAKGXNQHDA-SFHVURJKSA-N 339.487 3.013 10 40 EGCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c(C)n1C 409140852 GIHZSXPLLCPOHA-WJDWOHSUSA-N 325.437 3.246 10 40 EGCB CCOC(=O)CN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S 1237813 HIJOHGSESDEKCI-LCYFTJDESA-N 335.450 3.013 10 40 EGCB Nc1nc(SCC(=O)c2ccc(Cl)cc2)nc(-c2ccco2)n1 6603988 WEIPUYOBXQBLTN-UHFFFAOYSA-N 346.799 3.342 10 40 EGCB COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1F 40089166 UICYRMUHDQLHQB-UHFFFAOYSA-N 328.387 3.365 10 40 EGCB CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)cc1 100807868 KHDVRSANQYOYDA-MHWRWJLKSA-N 340.766 3.488 10 40 EGCB COc1ccc2c(c1)c(/C=C1/SC(=S)N(C)C1=O)c(C)n2C 95479512 DUKSBSKODLWHEF-RIYZIHGNSA-N 332.450 3.326 10 40 EGCB O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C(F)(F)F)cc1 72285613 MHGLLMUXEAYLRP-UHFFFAOYSA-N 340.301 3.481 10 40 EGCB CCN(CC)c1ccc(CNS(=O)(=O)Cc2cccc(C)c2)cc1 224913492 BFIHAYGHUIOEKI-UHFFFAOYSA-N 346.496 3.461 10 40 EGCB Cc1cc(=O)oc2c(C3=NN(C=O)[C@H](c4ccccc4)C3)c(O)ccc12 5885980 QLTDYGIOVYGJHR-INIZCTEOSA-N 348.358 3.115 10 40 EGCB CNc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12 41146764 QXJYCXWHVAYSMI-UHFFFAOYSA-N 349.438 3.007 10 40 EGCB COc1cc(N(C)Cc2nc3ccccc3n2C)cc(OC)c1OC 96424545 BQNHZPKRBODGDQ-UHFFFAOYSA-N 341.411 3.236 10 40 EGCB O=C1N=C(NC2CCCCC2)S/C1=C\c1ccccc1[N+](=O)[O-] 8322942 LHMMIJWKSHEPRU-UVTDQMKNSA-N 331.397 3.487 10 40 EGCB CC[C@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5374255 VOSAAUUQCXMJHS-GBQBCEMSSA-N 333.434 3.307 10 40 EGCB O=C(c1cc2cc(O)c(O)cc2s1)N1CCC([C@@H]2CCOC2)CC1 585121869 DGRINTUHFWHUFE-GFCCVEGCSA-N 347.436 3.201 10 40 EGCB CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc2nccnc2c1 60101643 PRZIEXZOCHOIJC-GOSISDBHSA-N 332.363 3.033 10 40 EGCB CSc1nc(C)c(CC(=O)NCc2ccc(N(C)C)cc2)s1 22889652 RVCVDKOZYPARRX-UHFFFAOYSA-N 335.498 3.098 10 40 EGCB O=C(c1ccccc1)c1ccccc1NC(=S)NC[C@@H]1CCCO1 2779585 DSGWOIWUPVBSNM-HNNXBMFYSA-N 340.448 3.383 10 40 EGCB Cc1csc(N2N=C(c3ccccc3O)C[C@@]2(O)C(F)(F)F)n1 4478274 QWHXMEJHBDLSIA-CYBMUJFWSA-N 343.330 3.022 10 40 EGCB Cc1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(C)n1C 33903035 APXUXOZGUMXQJE-MHWRWJLKSA-N 337.379 3.144 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)c1c[nH]c2ccccc2c1=O 66096447 AXPGJXMBJFDFNZ-UHFFFAOYSA-N 336.391 3.286 10 40 EGCB COc1ccc(N2CCN(C(=O)CSC3CCCC3)CC2)cc1 60966082 QBGGFYAAPKGHQY-UHFFFAOYSA-N 334.485 3.020 10 40 EGCB CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] 6908182 WZARJHUORXAWOS-CSKARUKUSA-N 336.351 3.068 10 40 EGCB COc1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)cc1 69380682 NVMYWJBUNKPPRE-UHFFFAOYSA-N 328.372 3.079 10 40 EGCB Cc1ccc(C2=NN3C(=N)/C(=C/c4ccncc4)C(=O)N=C3S2)cc1 41107999 NLZKIZMKWVYJHS-WOSMYTDYSA-N 347.403 3.057 10 40 EGCB COc1ccccc1N1C(=O)/C(=C/c2ccc(C)o2)C(O)=NC1=S 1261211 SKUYXXUCHQCAJL-FMIVXFBMSA-N 342.376 3.268 10 40 EGCB C[C@H]1COC[C@@H](C)N1C1=NC(=O)/C(=C/c2ccc(Cl)cc2)S1 32594697 BVPMTIDEDXIBPV-FGLUKDLVSA-N 336.844 3.420 10 40 EGCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccco2)SC1=S 4478799 RJZWGPFJTILSFD-SRXBQZRASA-N 345.401 3.307 10 40 EGCB Cc1cccc(N2C[C@](O)(c3ccccc3)[N+]3=C2SCCC3)c1C 425725 BEWKYCOQFMWOKQ-FQEVSTJZSA-N 339.484 3.474 10 40 EGCB CC1(C)OC(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)O1 62943 ZXJSUSMCNDMRCW-UHFFFAOYSA-N 343.291 3.074 10 40 EGCB biogenic CN(C)c1ccc([C@@H]2C=C(C(=O)O)Nc3nc4ccccc4n32)cc1 102243794 NXFLAZUAZVLECC-KRWDZBQOSA-N 334.379 3.086 10 40 EGCB COc1ccc(N2CCN(C(=O)/C=C/c3cccc(F)c3)CC2)cc1 3547556 DUXBCFLBZJANPR-BJMVGYQFSA-N 340.398 3.196 10 40 EGCB Cc1cccc(/C=C2\SC(=S)N([C@H](C(=O)O)C(C)C)C2=O)c1 5373459 YANYQNRCYWCESP-FSBNRTBOSA-N 335.450 3.305 10 40 EGCB CCCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 5385473 OHKUOXNMAPQHTG-VBKFSLOCSA-N 330.388 3.371 10 40 EGCB COc1ccc(N2CCC(N(C)C(=O)Nc3ccncc3)CC2)cc1 65611611 KDPVZSWCQPTKBW-UHFFFAOYSA-N 340.427 3.223 10 40 EGCB O=C1c2ccccc2N[C@@H](c2cc(O)c(O)c(Cl)c2)N1C1CC1 7364410 XEERWWMTHDIXGX-MRXNPFEDSA-N 330.771 3.480 10 40 EGCB COC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1297726 QNDGMNDUEXDAED-GKPGWJKISA-N 333.434 3.007 10 40 EGCB COc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1Cl 69979913 WQQIPVSFPNMZKR-UHFFFAOYSA-N 336.775 3.385 10 40 EGCB c1cnc2c(CCNCc3ccc(N4CCOCC4)cc3)cccc2c1 48710855 NLNHILVHZOBEDG-UHFFFAOYSA-N 347.462 3.404 10 40 EGCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C)o2)SC1=S 5373834 IZDRRPFNECLQEI-ICKMXJIXSA-N 339.438 3.289 10 40 EGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2F)SC1=S 5374104 UVENSBNAADANJK-SEVUFMINSA-N 339.413 3.136 10 40 EGCB CCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 1123978 GIDYNNPNMOCMFW-CSBKXELUSA-N 346.452 3.165 10 40 EGCB COc1ccc2c(c1)CCCN2CC(=O)N1c2ccccc2C[C@@H]1C 27578639 UYPDGAOFBUXCNF-HNNXBMFYSA-N 336.435 3.426 10 40 EGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C)cc3)C2=O)cc1 408984531 IVXMWYPPXFLIBF-ATVHPVEESA-N 334.375 3.224 10 40 EGCB COC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 2304789 KEWCCHXXBRJJEA-RAXLEYEMSA-N 335.450 3.149 10 40 EGCB Cc1nn(Cc2ccccc2)c(C)c1/C=C1\SC(=S)NC1=O 6626393 PDPVASXFFNSJSJ-ZSOIEALJSA-N 329.450 3.037 10 40 EGCB COc1ccc(N2CCC(NC(=O)/C=C/c3ccco3)CC2)cc1 69705069 DZUHFCJCPCLGIP-CMDGGOBGSA-N 326.396 3.087 10 40 EGCB Oc1ccc(-c2nc3cnccn3c2NCc2cccs2)cc1O 12113852 AGHXGXWEGCHIFF-UHFFFAOYSA-N 338.392 3.481 10 40 EGCB CC1=NS(=O)(=O)NC(C)=C1/N=N/c1ccc2c(c1)CCC(C)(C)O2 102478594 PGLYOGCLEFSZTR-ISLYRVAYSA-N 348.428 3.414 10 40 EGCB CCOC(=O)[C@H](/N=N\c1ccc(Br)c(C)c1)C(C)=O 104243175 MRGKSZSPFMDFKI-KXEGMRRWSA-N 327.178 3.362 10 40 EGCB Cc1oc2c(c1C(=O)NCc1ccccc1)C(=O)c1ccccc1C2=O 1236043 AWUCWQLGRLSERT-UHFFFAOYSA-N 345.354 3.293 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3cccc(OC)c3)CC2)cc1 69709820 ZWNMRNSOVVUKJZ-UHFFFAOYSA-N 340.423 3.103 10 40 EGCB O=C1NC(=S)S/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1 13457874 XXOSNTFGLAKMFZ-GHXNOFRVSA-N 331.374 3.134 10 40 EGCB Cc1cc(O)c(CN2CCC(CC(=O)N3CCCC3)CC2)cc1C 59579268 MHVYDIYDKYLDGF-UHFFFAOYSA-N 330.472 3.234 10 40 EGCB CN(C)c1ccc(-c2nc(-c3ccc(O)c(C(N)=O)c3)cs2)cc1 8042127 GVSNFIBDXYQAKV-UHFFFAOYSA-N 339.420 3.348 10 40 EGCB COCCCN1C(=O)/C(=C\c2ccccc2Cl)C(C(=O)OC)=C1C 2089276 YBKUSDFQFNOYCP-KAMYIIQDSA-N 349.814 3.049 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 5893696 TWRCCMVAWAFZFA-OYGDSYQHSA-N 339.413 3.280 10 40 EGCB C[C@@H]1CN(c2ccc(CNC(=O)C3CCCC3)cc2F)C[C@@H](C)O1 55529632 MMFJUOHYXKJLIA-ZIAGYGMSSA-N 334.435 3.246 10 40 EGCB COc1cc([C@@H]2CC(c3cc(C)ccc3O)=NN2)cc(OC)c1OC 115306 QAAUBKURVOSUGT-AWEZNQCLSA-N 342.395 3.165 10 40 EGCB COc1cccc(C2=C[C@@H](c3ccc(N(C)C)cc3)n3ncnc3N2)c1 101028197 ZMBCOPYNZMWKKD-IBGZPJMESA-N 347.422 3.409 10 40 EGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccccc1 133254 GKNLDPNMAIXGND-OBGWFSINSA-N 349.459 3.479 10 40 EGCB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/C=C/c1ccco1 503720 BMCNYFPWHQGLFV-BOAPOFAJSA-N 342.738 3.156 10 40 EGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 1465865 OBQPPMYJVOKFAX-LCYFTJDESA-N 342.401 3.186 10 40 EGCB CN(C)c1ccc(CNC(=O)c2cc(-c3cccc(F)c3)no2)cc1 36391446 LVTGZWGVTBQOIM-UHFFFAOYSA-N 339.370 3.477 10 40 EGCB CCOc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2CCOC)c1 45793948 XVUIZLKXWZIDRT-SFHVURJKSA-N 342.395 3.004 10 40 EGCB COc1ccc(N(CC(=O)Nc2c(C)nn(C)c2C)C(C)C)cc1F 69527839 AFKCLHWIKJRTTI-UHFFFAOYSA-N 348.422 3.038 10 40 EGCB Cc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1C1CCCC1 97098052 OZJXDMQRJGCODA-LBPRGKRZSA-N 343.427 3.079 10 40 EGCB COc1ccc(N(C)CCNC(=S)Nc2cccc(C)c2)cc1 225797178 HCZTZLGVVPWFTG-UHFFFAOYSA-N 329.469 3.426 10 40 EGCB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccccc1 1013838 ZFFWPWYTIOOOAS-AWEZNQCLSA-N 326.377 3.284 10 40 EGCB CC1(C)OC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)O1 62940 PYPZYMUJOUCXFT-UHFFFAOYSA-N 343.291 3.074 10 40 EGCB biogenic COc1ccc(N(C)CCNC(=O)c2cc(Cl)ccc2OC)cc1 225041293 MGUHFXFHTCIOBL-UHFFFAOYSA-N 348.830 3.223 10 40 EGCB Cc1c(CNC2(c3ncccn3)CCOCC2)n(C)c2ccccc12 1658052026 YMZBBBAZKFXBAW-UHFFFAOYSA-N 336.439 3.072 10 40 EGCB CCOC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1238344 NTKKKOKZERQNRI-AWTKBBGNSA-N 333.434 3.007 10 40 EGCB COc1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 3547532 IJBPSZVAWGHMQW-UHFFFAOYSA-N 330.815 3.311 10 40 EGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1 5395090 HPECCBUHLXJVOT-CYVLTUHYSA-N 347.418 3.138 10 40 EGCB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc3ncccc13)C(=O)C2=O 101426391 FLMOPDSPNGCEHD-WOJBJXKFSA-N 336.391 3.138 10 40 EGCB CNC(=O)C1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1 12819045 CQFHIPWVPDFJGV-UHFFFAOYSA-N 332.831 3.157 10 40 EGCB O=C(NCc1ccccn1)N(Cc1ccco1)Cc1ccccc1O 60063933 LNNRQQQSKSFUQN-UHFFFAOYSA-N 337.379 3.292 10 40 EGCB Oc1ccccc1CNC1CCN(Cc2ccc(F)c(F)c2)CC1 78394127 NPTZIJODGGMPNC-UHFFFAOYSA-N 332.394 3.425 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 5893655 TWRCCMVAWAFZFA-SERMCNLOSA-N 339.413 3.280 10 40 EGCB Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)N(C(C)C)C1=O 5530766 CRWFMXCGJIZPHN-LFIBNONCSA-N 346.452 3.276 10 40 EGCB COc1cccc(CNC(=O)Nc2ccc(OC(F)F)cc2)c1O 71856956 BVSIJQOKBWNGPB-UHFFFAOYSA-N 338.310 3.324 10 40 EGCB Cc1ccc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 54179233 MORKYXGHGTYMOH-MRXNPFEDSA-N 343.496 3.048 10 40 EGCB COc1ccccc1CN[C@H](C)c1ccc(N2CCN(C)CC2)cc1 71825384 RMWPMKINGXTZBO-QGZVFWFLSA-N 339.483 3.298 10 40 EGCB Cc1c(C(=O)NCc2ccccc2O)oc2c1C(=O)CC(C)(C)C2 95393282 BIOBPDDMLKGNTH-UHFFFAOYSA-N 327.380 3.379 10 40 EGCB CCOC(=O)C(=O)Oc1ccc2nc3ccc4ccccc4c3nc2c1 408977997 XNZTWOVSTDMUAW-UHFFFAOYSA-N 346.342 3.405 10 40 EGCB Cc1ccc(O)c(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c1 36740096 RDTYWFJYEXGSMO-APWZRJJASA-N 346.377 3.088 10 40 EGCB Cc1cc(S(=O)(=O)Nc2ccc(O)cc2)ccc1Br 40414106 IZQKGHCACCKFCH-UHFFFAOYSA-N 342.214 3.264 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)Cn1[nH]c(C(C)(C)C)nc1=S 12543213 SSTWKYVUWLFVQL-UHFFFAOYSA-N 333.505 3.394 10 40 EGCB Cc1cc(O)c(CN2CCC(C(=O)Nc3nccs3)CC2)cc1C 57088029 AMXSQZVXBMMBPE-UHFFFAOYSA-N 345.468 3.316 10 40 EGCB Nc1ccc(Oc2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1 265857 BGDFTQNJGBLDBV-UHFFFAOYSA-N 345.358 3.252 10 40 EGCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)c1 1849297 DLELYCJOLSUSSN-UKTHLTGXSA-N 342.401 3.186 10 40 EGCB Cc1nc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cs1 45342864 POQHDHBHVAGWSQ-UHFFFAOYSA-N 330.457 3.051 10 40 EGCB CN(C)c1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCCC2)cc1 45038 JKZKDGNTBFQFRY-FQEVSTJZSA-N 340.423 3.372 10 40 EGCB CN(C)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1[N+](=O)[O-] 4329510 HMLOUVRIWZZLLM-UVTDQMKNSA-N 337.335 3.005 10 40 EGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 27533569 VXDQDIVHBFUZKI-CRHABICSSA-N 337.422 3.146 10 40 EGCB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C)c(C)n1-c1ccccn1 24996198 NIWJHZMILJKLTI-QGZVFWFLSA-N 349.438 3.030 10 40 EGCB Cc1cc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)c(C)n1C1CC1 12813922 WRPBXSPLTSBGQH-JXMROGBWSA-N 335.407 3.438 10 40 EGCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Cl)c(Cl)c1 6526189 ZFMFYPUBBMMUNN-WQLSENKSSA-N 343.235 3.296 10 40 EGCB C[C@H]1COC[C@H](C)N1C1=NC(=O)/C(=C/c2ccc(Cl)cc2)S1 32594698 BVPMTIDEDXIBPV-ZCJISOJFSA-N 336.844 3.420 10 40 EGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 408845903 NLDUZMSQASXWGN-NTEUORMPSA-N 344.729 3.146 10 40 EGCB Cc1cc(O)c(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1C 54548677 SKADNNWUQDZFER-UHFFFAOYSA-N 334.460 3.498 10 40 EGCB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cc([N+](=O)[O-])ccc1O 4248210 QSJJHHWOQNOFAN-ZDUSSCGKSA-N 331.353 3.060 10 40 EGCB Cc1nc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cs1 48234804 FCZZWEQGTCIFMG-STQMWFEESA-N 349.475 3.494 10 40 EGCB Nc1ccc(Cc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 238809432 SXKBQLZMICXHNV-XAMWDVODSA-N 344.414 3.171 10 40 EGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 16292735 TUEMTBMTHGKSKU-DHDCSXOGSA-N 337.335 3.415 10 40 EGCB COc1ccc(OC)c(C[C@@H]2SC(=S)N(CC(C)C)C2=O)c1 6326101 KEACOBZOEBBTFD-AWEZNQCLSA-N 339.482 3.131 10 40 EGCB CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 13068512 LRCZTZOZFUCTRD-LJQANCHMSA-N 325.456 3.308 10 40 EGCB COc1ccc(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1 32827533 GBXXWFCIGCTFPL-UHFFFAOYSA-N 349.434 3.470 10 40 EGCB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3O)C2)cc1OC 9260456 PZGYDGPRAHPQMT-INIZCTEOSA-N 340.379 3.107 10 40 EGCB Cc1cc(C(=O)[C@@H](C)OC(=O)c2cnccn2)c(C)n1-c1ccccc1 5398532 MJIMUQFWSHVEFC-OAHLLOKOSA-N 349.390 3.312 10 40 EGCB C[C@H](NCc1ccc(N2CCCCC2)cc1)c1nnc2n1CCCC2 89913859 IXWUVNYZKYXVRP-INIZCTEOSA-N 339.487 3.456 10 40 EGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(F)cc1 563176 QLSXIAOSUKCKJT-WJDWOHSUSA-N 329.371 3.441 10 40 EGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc(Cl)s2)C1=O 6083644 JNVLKLWJXUKIFC-FLIBITNWSA-N 346.795 3.376 10 40 EGCB CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C 6038414 IUYDRNJEHKKGAZ-UHFFFAOYSA-N 343.379 3.017 10 40 EGCB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccccc1 408722290 GPQXJVNMXUWFPH-NTEUORMPSA-N 342.807 3.171 10 40 EGCB CCOc1ccc(-n2c(C)cc([C@@H]3NC[C@H](C(=O)O)S3)c2C)cc1 408977433 IXIHXDRPUPBPJJ-IAGOWNOFSA-N 346.452 3.281 10 40 EGCB Cn1cccc1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 13778252 UXEXLNGTDHFMGX-QINSGFPZSA-N 328.462 3.469 10 40 EGCB CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 97907395 RQNVXGNNXFOHFA-QGZVFWFLSA-N 346.471 3.370 10 40 EGCB N=C1/C(=C/c2ccco2)C(=O)N=C2SC(C3CCCCC3)=NN12 16184444 BMXODUFCUHBECS-NAXSCAEVSA-N 328.397 3.479 10 40 EGCB COc1ccc(CN/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)cc1 103916276 NJANLKCWKWHWIX-RGEXLXHISA-N 335.407 3.482 10 40 EGCB CC[C@@H](C)N1C(=O)/C(=C\c2cn(C)c3ccccc23)C(=O)N=C1S 6830031 HSMILGRKQZFRQJ-RLIURORJSA-N 341.436 3.015 10 40 EGCB COc1ccc(N2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)cc1 9302718 LGKSUFUBRRLWSG-UHFFFAOYSA-N 335.407 3.139 10 40 EGCB CCn1cc(/C=C2/C(=O)N(C3CC3)C(=S)N=C2O)c2ccccc21 17207589 LSZHJNPLNWYYMK-NTEUORMPSA-N 339.420 3.291 10 40 EGCB CCc1ccccc1-n1c(C)cc(/C=C2/NC(=S)NC2=O)c1C 408965400 GWPPIUIKFNSJOL-XNTDXEJSSA-N 325.437 3.002 10 40 EGCB COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)c2ccccc12 35685802 BXWDRHQVLVLDGW-UHFFFAOYSA-N 329.377 3.355 10 40 EGCB COC(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5459256 CGICFPQGDMJAMH-YGOOLXEZSA-N 333.434 3.007 10 40 EGCB COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)c(OC)c1 63240 FDFDCWIPIMMSHZ-XNTDXEJSSA-N 332.425 3.160 10 40 EGCB O=S(=O)(/C=C/c1ccccc1)NCc1ccc(N2CCCC2)cc1 30419022 OUPLCSSCBKXJQW-NTCAYCPXSA-N 342.464 3.377 10 40 EGCB CN(C)/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 31969689 PUDJRTYBFCAPOY-WYMLVPIESA-N 348.431 3.493 10 40 EGCB C[C@H]1CN(c2ccc(CNC(=O)C3CCCC3)cc2F)C[C@H](C)O1 55529631 MMFJUOHYXKJLIA-KBPBESRZSA-N 334.435 3.246 10 40 EGCB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3O)C2)cc1OC 9260458 PZGYDGPRAHPQMT-MRXNPFEDSA-N 340.379 3.107 10 40 EGCB CC(C)(C)NC(=O)c1cccc(NC(=O)NCc2ccccc2O)c1 65537121 QQZPJPUGQPAPDL-UHFFFAOYSA-N 341.411 3.242 10 40 EGCB CC(=O)c1ccc(OC[C@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)cc1 32722768 RYOFAHLLLJAPSX-WOJBJXKFSA-N 340.423 3.021 10 40 EGCB CCOc1cc(-c2cc(-c3cccc(O)c3O)nn2C)ccc1O 257200127 ACDBYLARRIGHTF-UHFFFAOYSA-N 326.352 3.270 10 40 EGCB Cc1cc(C(=O)OCC(=O)NC(C)(C)C)c(C)n1-c1ccccc1 3460575 HJUDFJCHSCLCKY-UHFFFAOYSA-N 328.412 3.166 10 40 EGCB O=C(Cc1ccccc1Cl)NCc1ccc(N2CCOCC2)cc1 54285343 CJJMQHHUVMEHNM-UHFFFAOYSA-N 344.842 3.036 10 40 EGCB O=Cc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 5375064 MXVJTMTYLIYZRY-ZSOIEALJSA-N 329.402 3.494 10 40 EGCB CN(Cc1ccccc1O)C(=O)c1nn(-c2ccccc2)c2c1CCC2 42116772 UHMYRGGVEUQEPD-UHFFFAOYSA-N 347.418 3.339 10 40 EGCB CC(=O)N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 408719794 SIJUPYXPYSTEGG-UXBLZVDNSA-N 342.239 3.197 10 40 EGCB O=C(O)c1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1 97990665 WYNSPLJVXOEJMR-MDWZMJQESA-N 342.401 3.186 10 40 EGCB CCCCc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1 14255781 UPODSJXKYWFDLW-UHFFFAOYSA-N 331.397 3.366 10 40 EGCB O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1C1CC1 8129872 FPJIFRNAFHXRQD-HXUWFJFHSA-N 349.434 3.252 10 40 EGCB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(Cl)cc1 4783805 XVMLYJSNFUNHIV-GXDHUFHOSA-N 332.787 3.135 10 40 EGCB COc1ccc(N2CCN(C(=O)C3(c4ccccc4)CC3)CC2)cc1 23239279 KPDBDAZFMRHLNN-UHFFFAOYSA-N 336.435 3.076 10 40 EGCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 408942872 RBNFFNUBODYREQ-NTEUORMPSA-N 340.766 3.488 10 40 EGCB CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 1188655 MDYCAIXXSWVPDV-POHAHGRESA-N 344.255 3.376 10 40 EGCB CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)C2=O 34199333 SWVDNEGGBBYXGS-UWVAXJGDSA-N 344.407 3.407 10 40 EGCB biogenic,in-vitro Cc1cc(C)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1 7146349 BHBHZJICOFGSBV-UHFFFAOYSA-N 346.496 3.499 10 40 EGCB O=C(NCc1c(O)ccc2c1CCCC2)c1ncoc1[C@H]1CCCO1 75159486 JSSXXMBATSHODN-MRXNPFEDSA-N 342.395 3.041 10 40 EGCB COC(=O)c1cc(NC(=S)NCc2ccccn2)ccc1Cl 225329765 XUHOKFYTAIULCA-UHFFFAOYSA-N 335.816 3.008 10 40 EGCB Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 457701 NRHJOUCEFHPYLD-MKMNVTDBSA-N 333.750 3.067 10 40 EGCB CN1CCS/C1=C/C=C1/SC(=S)N(Cc2ccccc2)C1=O 33286085 FRMWPDYHAMVPCH-FNCQTZNRSA-N 348.518 3.451 10 40 EGCB Cc1cc(=O)[nH]c2c(/N=N/c3cccc(C(F)(F)F)c3)c(N)nn12 8300524 GIAVZXIODZWQSE-QZQOTICOSA-N 336.277 3.347 10 40 EGCB Cc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnn1C1CCCC1 97098055 OZJXDMQRJGCODA-GFCCVEGCSA-N 343.427 3.079 10 40 EGCB O=C1c2ccccc2C(=O)c2cc(I)ccc21 3896787 BMQVXGRNMAVAEK-UHFFFAOYSA-N 334.112 3.067 10 40 EGCB O=C(COC(=O)c1ccccc1/N=N/c1ccc(O)cc1)NC1CC1 7239088 JXVCVEJONFLTPU-QZQOTICOSA-N 339.351 3.243 10 40 EGCB CC[C@H]1Oc2cc([C@H](C)NCc3cccc(F)c3O)ccc2NC1=O 1615587604 NRMIOJAZHHDOMW-MEDUHNTESA-N 344.386 3.492 10 40 EGCB O=C(Cc1c[nH]c2ccccc12)NCCCSc1nccs1 71905640 FXEZKWXYDCRMQH-UHFFFAOYSA-N 331.466 3.466 10 40 EGCB CN(C)c1ccc(CNC(=O)CCOc2ccc(Cl)cc2)cc1 40106515 HLLBESQNKLFLGF-UHFFFAOYSA-N 332.831 3.491 10 40 EGCB CC(=O)c1ccc(OC[C@@H]2CN[C@@H](c3ccc(N(C)C)cc3)O2)cc1 32722764 RYOFAHLLLJAPSX-VQTJNVASSA-N 340.423 3.021 10 40 EGCB CC(=O)N1CC[C@H](NCc2ccc(N3CCCCCC3)cc2)[C@H](C)C1 89937492 WBEGZDSPKJZTFM-UTKZUKDTSA-N 343.515 3.414 10 40 EGCB O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1c1ccc(F)cc1 9058786 WYKDCNUTBNAHLE-NQDFZQDQSA-N 326.283 3.482 10 40 EGCB CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C/Nc1ccc(F)cc1 100429164 UUPBXDYIDJHFDJ-GXDHUFHOSA-N 335.342 3.421 10 40 EGCB Cc1cc(C(=O)O[C@H](C)C(=O)NC(C)C)c(C)n1-c1ccccc1 16047196 MPLWKKIFLAASQG-OAHLLOKOSA-N 328.412 3.164 10 40 EGCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 344834 LDJUKZFDLRSGIK-OVCLIPMQSA-N 337.766 3.283 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2C)SC1=S 5373412 MZEINPMWVLULSZ-VWLVURMCSA-N 335.450 3.450 10 40 EGCB C[C@H](Sc1nccs1)C(=O)NC(=O)Nc1ccccc1F 52914628 UYANTNLKPIJKEW-QMMMGPOBSA-N 325.390 3.111 10 40 EGCB CC(=O)Nc1cccc(N/C=C2/SC(=S)N(CC(C)C)C2=O)c1 9421989 KAEWTVIYUXPGPV-RIYZIHGNSA-N 349.481 3.415 10 40 EGCB CCCn1cc(/C=C2\C(=O)N(C)C(=S)N=C2O)c2ccccc21 33323070 RMOMGVYULXTJLO-LCYFTJDESA-N 327.409 3.148 10 40 EGCB O=C(NCc1ccc(N2CCSCC2)cc1)Nc1nccs1 47036413 NQVUBJHVXMZAAX-UHFFFAOYSA-N 334.470 3.018 10 40 EGCB [N-]=[N+]=C1C(c2ccccc2)=NC(c2nccc3ccccc23)=C1[N+](=O)[O-] 4824811 LGSOKLCHIQEHDK-UHFFFAOYSA-N 341.330 3.354 10 40 EGCB Cc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c(C)n1-c1ccccn1 71796795 NSZISHRNZUDECO-GOSISDBHSA-N 349.438 3.200 10 40 EGCB COc1ccc(N2CCN(C(=O)c3cc(F)ccc3Cl)CC2)cc1 72331377 SXTOJFKBJUCSAD-UHFFFAOYSA-N 348.805 3.450 10 40 EGCB CCc1cc(CNC(=O)NCc2ccc(N3CCCCC3)cc2)on1 96421484 LDERJMKKFDXMKH-UHFFFAOYSA-N 342.443 3.227 10 40 EGCB Cc1cc(C)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1C 7166550 XAWITOWUSVAYEP-JYRVWZFOSA-N 335.450 3.288 10 40 EGCB Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(F)cc1 20815884 HCDOOJXIFKVWIX-ZIAGYGMSSA-N 330.403 3.483 10 40 EGCB Cc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)s1 409080702 JCJKHNPOXYFUOI-VPMLRQHESA-N 325.480 3.437 10 40 EGCB CCOc1ccc(CNC(=O)N(C)Cc2ccccc2O)cc1F 72268269 QTNNVPOGABFIEO-UHFFFAOYSA-N 332.375 3.272 10 40 EGCB CCN(CC)c1ccc(CNC(=O)COc2ccccc2OC)cc1 193749152 VYZLCNBOCGSEII-UHFFFAOYSA-N 342.439 3.237 10 40 EGCB O[C@@]1(c2ccc(Cl)cc2)CN(c2ccccc2)C2=[N+]1CCS2 15962106 FMAWMBNOOLGQPY-QGZVFWFLSA-N 331.848 3.121 10 40 EGCB COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 4855798 VCDIAHSIVJLKLO-PDGQHHTCSA-N 349.386 3.226 10 40 EGCB Cc1ccccc1-n1c(C)cc(C(=O)NCCNc2cnccn2)c1C 56486369 PCRJVTBQGARNIG-UHFFFAOYSA-N 349.438 3.034 10 40 EGCB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\c1sccc1C 12572586 LPXXSNVVOXWCRZ-KAMYIIQDSA-N 340.404 3.406 10 40 EGCB COc1cccc(-n2c(C)cc(C(=O)NC[C@H]3CCCOC3)c2C)c1 58425997 OZIBLMHGKGJMCE-MRXNPFEDSA-N 342.439 3.259 10 40 EGCB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N=C3O)c2C)cc1 8741307 UXJNEWZFTPBPAA-UHFFFAOYSA-N 339.420 3.157 10 40 EGCB CCOc1ccc(CN(C)Cc2cc3c(cc2O)OCO3)cc1OC 5067502 RKYNMIKYIOAFST-UHFFFAOYSA-N 345.395 3.160 10 40 EGCB CN(C)c1ccc(CNC(=O)NCCOc2ccc(Cl)cc2)cc1 31726971 ZKHUDQUGIFQBIC-UHFFFAOYSA-N 347.846 3.284 10 40 EGCB O=C(/C=C/c1cscn1)NCc1ccc(N2CCSCC2)cc1 50585052 RLJVQAZNMBDIFR-ZZXKWVIFSA-N 345.493 3.026 10 40 EGCB Cc1ccc(N2C(=O)/C(=C/c3cccs3)C(=O)N=C2O)c(C)c1 1268927 LVVLYEBHXOALBC-UKTHLTGXSA-N 326.377 3.236 10 40 EGCB CCOc1ccc(-n2c(C)cc([C@@H]3NC[C@@H](C(=O)O)S3)c2C)cc1 408977430 IXIHXDRPUPBPJJ-DLBZAZTESA-N 346.452 3.281 10 40 EGCB Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)o1 17242091 WAYYVROMXWDPPM-JYRVWZFOSA-N 346.795 3.073 10 40 EGCB COc1cccc(C2=C[C@H](c3ccc(N(C)C)cc3)N3NN=NC3=N2)c1 100572657 SPFCYRLNZYUMOX-GOSISDBHSA-N 348.410 3.400 10 40 EGCB COC1CCN(C(=O)c2cc(C)n(-c3ccccc3F)c2C)CC1 44860354 MWRHDOQKIIPVRL-UHFFFAOYSA-N 330.403 3.484 10 40 EGCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830696 IDPCMKHNKAOJEJ-UKTHLTGXSA-N 343.389 3.396 10 40 EGCB C[C@H](NC(=O)[C@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 216918029 OWHXCSLWVHSXHX-WMZOPIPTSA-N 329.488 3.196 10 40 EGCB COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 13121653 AWLTZNYSZGISDM-GFAPJHNFSA-N 335.450 3.075 10 40 EGCB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cccc2nonc12 14255046 JLSSMNOXUBMKAG-UHFFFAOYSA-N 344.179 3.330 10 40 EGCB CC[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cc(Br)ccc1O 156412248 DIIGVRKNXXIVGU-SUHUHFCYSA-N 326.234 3.132 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 4356977 HNQROABKCCEDEW-VZUMNITHSA-N 337.422 3.290 10 40 EGCB Cc1ccc(C)n1-c1ccc(CC(=O)NCCc2ccccn2)cc1 50026059 BACLVCULSVDFKY-UHFFFAOYSA-N 333.435 3.391 10 40 EGCB COc1ccc(N2CCN(C(=O)CCc3ccccc3F)CC2)cc1 60524761 IBEXNXNBZVJXSO-UHFFFAOYSA-N 342.414 3.116 10 40 EGCB CCCCC1(C)OC(=O)C(=Cc2ccc(OC)c(OCC)c2)C(=O)O1 59104044 ZSIMROVZDMEBDP-UHFFFAOYSA-N 348.395 3.484 10 40 EGCB CCCCCOc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1 39379037 GIZXEPFSGVRWAU-UHFFFAOYSA-N 333.384 3.388 10 40 EGCB O=C(Nc1ccc(O)cc1C(=O)O)c1ccc(Br)cc1 12021185 QTEYHUPDIFTJSN-UHFFFAOYSA-N 336.141 3.105 10 40 EGCB COc1ccccc1N1C(=O)/C(=C\c2cccnc2)SC1=S 5845846 FSYIJQZGHVIQFL-NTEUORMPSA-N 328.418 3.496 10 40 EGCB CCN1CCc2cc(CN3CCC[C@@H](Cn4ccnc4C)C3)ccc21 19659215 LUHRMNXSJBBFAP-LJQANCHMSA-N 338.499 3.486 10 40 EGCB Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2nccs2)cc1 59961069 FIADZSLJOUKQAZ-UHFFFAOYSA-N 333.438 3.351 10 40 EGCB C[C@H]1CN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)C[C@H](C)O1 4676782 JBFRKTYSNJDQCQ-ZCJISOJFSA-N 336.844 3.420 10 40 EGCB CCOc1ccc(/C=C2\C(=O)N(C)C(=S)N=C2O)c2ccccc12 33326333 SZCDSZKUVUODLE-UVTDQMKNSA-N 340.404 3.335 10 40 EGCB CC[C@@H](NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1O 156764079 ROCXAIJDYGTRRQ-GGPKGHCWSA-N 332.488 3.201 10 40 EGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1O 6395088 XZYUYWADVAFBJW-PTNGSMBKSA-N 327.380 3.007 10 40 EGCB O=C1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1 12565133 QSKALNZZFRIPFJ-JXMROGBWSA-N 326.440 3.272 10 40 EGCB Cc1nc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cs1 7763258 MNBKPGFHCYUGNH-UHFFFAOYSA-N 347.465 3.173 10 40 EGCB O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccncc3)nc21 72284530 YZNTXTFZKAVVRN-UHFFFAOYSA-N 325.327 3.400 10 40 EGCB CCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O 5764867 WCGVXAJXGDHCCU-FOWTUZBSSA-N 346.452 3.278 10 40 EGCB CN(c1ccc(CNC(=O)C2CCOCC2)cc1)C1CCCCC1 58290549 ZPXJEODLHFFEEM-UHFFFAOYSA-N 330.472 3.498 10 40 EGCB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cccc2nonc12 32579196 KOTPSQCRVVMHBL-UHFFFAOYSA-N 344.179 3.330 10 40 EGCB CN(Cc1ccccc1O)S(=O)(=O)Cc1cc(Cl)ccc1F 95432934 YEWYHLZEKBSFMM-UHFFFAOYSA-N 343.807 3.147 10 40 EGCB CCOC(=O)c1cccc(NC(=S)NCc2ccccn2)c1C 225329962 MJXUHIPAVFJTHO-UHFFFAOYSA-N 329.425 3.053 10 40 EGCB Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)c(C)n1-c1ccccn1 73743950 OFUZBPRVNUEJFN-UHFFFAOYSA-N 335.363 3.470 10 40 EGCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3/NC(=O)NC3=O)cc21 208473210 QLAMCFBFKRDAPP-AWNIVKPZSA-N 331.803 3.152 10 40 EGCB O=C(C(=O)c1ccc(I)cc1)c1ccccc1 18195252 JDHMOVJOTOZHAW-UHFFFAOYSA-N 336.128 3.357 10 40 EGCB Cn1c(-c2ccc(O)c(O)c2)cs/c1=N\c1ccc(Cl)cn1 101719855 MNSUOTVGCLWHKX-SDXDJHTJSA-N 333.800 3.446 10 40 EGCB CCCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)NC1=S 6389776 HVBYISIWBRVCJU-DTQAZKPQSA-N 331.485 3.391 10 40 EGCB CCN(CC)c1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1 213608728 HRDFGBCPUKGWHP-UVTDQMKNSA-N 333.413 3.442 10 40 EGCB COC(=O)c1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1 100281613 LRAAXHGBZDXPBZ-ATVHPVEESA-N 335.363 3.192 10 40 EGCB C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 966982 ODZDWXHAWODHQZ-LWYMYGMPSA-N 327.814 3.014 10 40 EGCB Nc1ccc2nc(SCC(=O)c3ccc(O)c(O)c3)sc2c1 59417640 VVDRRPUUNGUOEB-UHFFFAOYSA-N 332.406 3.265 10 40 EGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)s1 408965438 HNMGPEXWPGEWSZ-DHZHZOJOSA-N 348.836 3.233 10 40 EGCB CN(Cc1cc2c(cc1O)OCO2)Cc1ccccc1N1CCCC1 7317605 RMQMCBRWHMNPAG-UHFFFAOYSA-N 340.423 3.353 10 40 EGCB COc1cccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)c1 16952537 VXTRLLQKVNJJPC-BOPFTXTBSA-N 337.335 3.410 10 40 EGCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3C[C@@H]3C)c2C)cc1 2642875 OWDRZYOENKSCLB-SJCJKPOMSA-N 341.407 3.485 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3cc(F)ccc3F)CC2)cc1 69876410 UFHVOUYNIKQCKI-UHFFFAOYSA-N 346.377 3.372 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)C1=NO[C@H](c2ccccc2)C1 52984441 YFQNYVZUPJXMIU-IBGZPJMESA-N 337.423 3.229 10 40 EGCB CN1CCN(c2ccc(CNC(=O)c3cc4ccccc4o3)cc2)CC1 4362596 MEOGPFIEBPFLAT-UHFFFAOYSA-N 349.434 3.115 10 40 EGCB O=C(CN1CCC(O)CC1)Nc1ccc(/N=N/c2ccccc2)cc1 23993126 LPHGOHMFSQKHIA-QURGRASLSA-N 338.411 3.497 10 40 EGCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NC2CC2)cc1 112114056 LNSASMSXZGGCBD-RGEXLXHISA-N 347.418 3.472 10 40 EGCB O=C1N=C(O)/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 8739326 YECHRKVDYMBEAV-RAXLEYEMSA-N 337.291 3.102 10 40 EGCB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(Cl)ccc1Cl 96011695 DMTFCSQELCUCMB-QMMMGPOBSA-N 341.194 3.161 10 40 EGCB COc1ccc(N2CCC(N(C)c3ccc([N+](=O)[O-])cn3)CC2)cc1 69455376 QKSBZUOMNKOREW-UHFFFAOYSA-N 342.399 3.104 10 40 EGCB Cc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)nc1 223950273 XCYRJUAOVWDJBR-UHFFFAOYSA-N 326.469 3.477 10 40 EGCB CCOC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 1277065 OSLYTXSTHLKYJF-XFFZJAGNSA-N 341.841 3.104 10 40 EGCB O=C(c1ccco1)N1N=C(c2ccncc2)C[C@H]1c1ccccc1O 4292075 JCVOUEGAMOBMHY-INIZCTEOSA-N 333.347 3.372 10 40 EGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccco2)SC1=S 6635778 OBXUPGFMBXWKFX-DFYQSJSGSA-N 325.411 3.124 10 40 EGCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2\SC(=O)NC2=O)o1 33438347 CAVSNCNEUYETHB-QPEQYQDCSA-N 329.333 3.277 10 40 EGCB CC(C)C1=NN2C(=N)/C(=C\c3c[nH]c4ccccc34)C(=O)N=C2S1 20025098 DXYNAIBXUFSKBP-NFFPZGGSSA-N 337.408 3.443 10 40 EGCB COc1c(CNCc2ccc(N3CCCCC3)cc2)c(C)nn1C 58406851 JPLVHKFBXIGJMJ-UHFFFAOYSA-N 328.460 3.017 10 40 EGCB CN(C)c1ccc(CNC(=O)c2ccccc2Br)cc1 15134342 BWQAAFZXQUFPQV-UHFFFAOYSA-N 333.229 3.445 10 40 EGCB Cc1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c(C)n1-c1ccccn1 69967589 LGQRDNFIKJPFOC-KRWDZBQOSA-N 349.438 3.163 10 40 EGCB CCCc1noc(CCCC(=O)NCc2ccc(N(C)C)c(C)c2)n1 69597177 TZCKXZJGTMSODX-UHFFFAOYSA-N 344.459 3.036 10 40 EGCB CCN(CC)Cc1c(O)ccc(C(=O)Cc2ccc(OC)cc2)c1O 23135296 JZUDWSGTXJCFEI-UHFFFAOYSA-N 343.423 3.374 10 40 EGCB biogenic CCOc1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)cc1OC 76641 OQGWKSBHRUEOII-UHFFFAOYSA-N 346.379 3.238 10 40 EGCB Cc1csc(CNC(=O)NCc2ccc(N3CCCCC3)cc2)n1 63361307 DVUWMTATZDQOBL-UHFFFAOYSA-N 344.484 3.441 10 40 EGCB O=C(NC[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)C1CCC1 65585940 JASCZLHQGXZAJL-LBPRGKRZSA-N 342.361 3.328 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3sccc3C)CC2)cc1 69567366 IYEJTPCNIYWLPS-UHFFFAOYSA-N 330.453 3.464 10 40 EGCB CCOc1c(/N=N/c2cccc([N+](=O)[O-])c2)c(C)nn1C(N)=S 17141899 QODKHKRJUYKTKM-FOCLMDBBSA-N 334.361 3.006 10 40 EGCB O=C(O)CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 966825 NEACZKMYFFINAR-YFHOEESVSA-N 327.814 3.016 10 40 EGCB Cc1cc(OCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1 27157521 MEGVLZBTQIODME-UHFFFAOYSA-N 343.427 3.011 10 40 EGCB COc1ccc(N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)cc1 69158103 PBOUROOBIXQVLQ-UHFFFAOYSA-N 338.451 3.322 10 40 EGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(OC)c1 33689947 JJHXVJAPMUDNFQ-ATVHPVEESA-N 341.407 3.310 10 40 EGCB CN(C)c1ccc(CNC(=O)CC2CCC3(CCNCC3)CC2)cc1 96088499 YCOAYQACJAEIGU-UHFFFAOYSA-N 343.515 3.319 10 40 EGCB Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 209189 LZBPRDUNDSUHTR-RIYZIHGNSA-N 326.312 3.023 10 40 EGCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 12591006 OYPFFKNFHKOFDM-UUASQNMZSA-N 342.376 3.147 10 40 EGCB Cc1ccc(C(=O)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 5363904 FGKJBCCEGQDVKP-UHFFFAOYSA-N 328.280 3.185 10 40 EGCB Cc1ccc(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2SCCC3)cc1 3912317 QNHHNEQVPUQQFA-FQEVSTJZSA-N 339.484 3.474 10 40 EGCB Cc1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1 53535715 ASJRMFKEKHSQTD-UHFFFAOYSA-N 341.480 3.318 10 40 EGCB CCCCN1C(=O)/C(=C/c2ccc(OCCO)cc2)SC1=S 19075573 CFPCMSDMNSFRNW-KAMYIIQDSA-N 337.466 3.059 10 40 EGCB CN(C)c1ccc([C@H](CNC(=O)CCc2ccccc2)N(C)C)cc1 5097741 KTZHIIYRAKTQQG-FQEVSTJZSA-N 339.483 3.104 10 40 EGCB CCc1ccc(N/C=C2/SC(=S)N(CCCOC)C2=O)cc1 101193031 FSIXPMKLBGBVED-SDNWHVSQSA-N 336.482 3.399 10 40 EGCB Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1ccc(F)cc1 3177281 SMIJOVGZXIUNFO-UHFFFAOYSA-N 343.354 3.453 10 40 EGCB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)s1 573861 BJFNZMBXSYHJED-MDWZMJQESA-N 346.408 3.027 10 40 EGCB Oc1ccc2ccccc2c1CN1CCN(Cc2cscn2)CC1 52083876 GLBCFKLBKFIBAJ-UHFFFAOYSA-N 339.464 3.320 10 40 EGCB O=C(O)c1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 966885 JKKCRRFBFGBHPL-MDWZMJQESA-N 342.401 3.186 10 40 EGCB CC1(C)[C@@]2(C(=O)Nc3nc4ccccc4s3)CC[C@@]1(C)C(=O)C2=O 102616930 VPRJPSCRCJIXOB-ROUUACIJSA-N 342.420 3.199 10 40 EGCB CN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S 4596655 RQVQFTISUPZPGU-MDWZMJQESA-N 345.401 3.476 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 100064569 WUZHJIFMODEWKI-HMMYKYKNSA-N 347.418 3.329 10 40 EGCB Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 113834830 LFMQFDGTQXPFSG-RIYZIHGNSA-N 343.364 3.326 10 40 EGCB Oc1cc(Cl)ccc1C1=NN[C@H](c2ccc3c(c2)OCCO3)C1 557872 JUPPXCSOXGXPMQ-ZDUSSCGKSA-N 330.771 3.256 10 40 EGCB COc1ccc(N2CCCN(C(=O)c3ccc(C)nc3C)CC2)cc1 55877113 BBLCYUWRVYSOQL-UHFFFAOYSA-N 339.439 3.060 10 40 EGCB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccncc1 4147170 MFKOQZXSAKHKQH-UHFFFAOYSA-N 328.327 3.109 10 40 EGCB COc1cccc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)c1O 4680572 KBLABEATSBZOSK-UVTDQMKNSA-N 332.425 3.103 10 40 EGCB CCOc1ccc(/C=C2\SC(=S)N(CCCOC)C2=O)cc1 9189300 BOXYINJVZPYGOP-KAMYIIQDSA-N 337.466 3.323 10 40 EGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1c(C)nn(C)c1C 408757979 SYLSBUAYGSSJOD-LICLKQGHSA-N 337.427 3.372 10 40 EGCB O=S(=O)(Nc1ccc(Cl)cc1)c1cccc2nsnc12 212938 YDWQJRYMPAQSKZ-UHFFFAOYSA-N 325.802 3.146 10 40 EGCB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2sccc2C)C1=O 408998004 PTUZPKNAFOAXHY-JLHYYAGUSA-N 340.404 3.285 10 40 EGCB CCCN1C(=O)/C(=C/c2ccco2)C(=O)N(c2ccccc2)C1=S 378950 SGQPZBWKEJDEQQ-QINSGFPZSA-N 340.404 3.233 10 40 EGCB CCOC(=O)[C@H]1CCCN(Cc2cc(Cl)c3cccnc3c2O)C1 21673343 FIPMGUDDBKBODJ-LBPRGKRZSA-N 348.830 3.369 10 40 EGCB COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OC(F)F 14190779 VVYOQHICMUXABN-TWGQIWQCSA-N 331.365 3.128 10 40 EGCB CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc2ccccc2o1 65604308 PGBCFTFJQXOPBY-UHFFFAOYSA-N 337.423 3.296 10 40 EGCB COc1ccc(-c2nnc3n2N[C@H](c2ccccc2O)S3)cc1 3843155 YFWMWMBWWJOXBM-HNNXBMFYSA-N 326.381 3.007 10 40 EGCB biogenic Cc1oc2c(c1C(=O)N1CCC(C)CC1)C(=O)c1ccccc1C2=O 1236036 QOGGXHNNRVSSHD-UHFFFAOYSA-N 337.375 3.236 10 40 EGCB Cn1cc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cn1 14179182 GAAZXPJWFQUZNG-IZZDOVSWSA-N 346.312 3.093 10 40 EGCB COc1ccc(N2CCC(N(C)C(=O)CCOCC(C)C)CC2)cc1 69462962 HQBIUPGOOPCNFZ-UHFFFAOYSA-N 348.487 3.185 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc2ccccc2[nH]c1=O 12585355 OTXXLEJFOYBAES-ATVHPVEESA-N 329.359 3.334 10 40 EGCB CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2O)SC1=S 5127792 KUGAHGGCNLNOTL-ZROIWOOFSA-N 336.482 3.460 10 40 EGCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1nc3ccccc3s1)C(=O)C2=O 27026542 VPRJPSCRCJIXOB-ZWKOTPCHSA-N 342.420 3.199 10 40 EGCB Cn1cc(/C=C/c2nc3ccccc3c(=O)n2CCO)c2ccccc21 4117562 HKUSWQOAPCAQJN-ZHACJKMWSA-N 345.402 3.051 10 40 EGCB CN(C)c1ccc([C@H](CNC(=O)Nc2cccs2)N(C)C)cc1 22418282 GMAYCBHBLBTBDH-HNNXBMFYSA-N 332.473 3.239 10 40 EGCB CCOc1cc(/C=C2/SC(Nc3cccnc3)=NC2=O)ccc1O 10257300 WQVQCZIGOYUABN-OQLLNIDSSA-N 341.392 3.268 10 40 EGCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5374253 VOSAAUUQCXMJHS-JZKFEFJASA-N 333.434 3.307 10 40 EGCB CCOc1ccccc1/N=N/c1c(C)nn(C(N)=S)c1OCC 17141905 HLBUODHKQUYCNZ-ISLYRVAYSA-N 333.417 3.496 10 40 EGCB CCOc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1 28976 SNGZYDWWLUKFQC-UHFFFAOYSA-N 325.416 3.390 10 40 EGCB aggregator C[C@@H](NC(=O)Nc1cccs1)c1ccc(N2CCN(C)CC2)cc1 69393062 IKPHOURPLHDKST-CQSZACIVSA-N 344.484 3.383 10 40 EGCB COC(=O)CC1(c2ccc3ccccc3n2)C(=O)c2ccccc2C1=O 408733999 UQLXBOMWXAAAGI-UHFFFAOYSA-N 345.354 3.115 10 40 EGCB O=C(c1ccn2cncc2c1)N(Cc1ccco1)Cc1ccccc1O 95434094 XWTNSXQQQRPDDB-UHFFFAOYSA-N 347.374 3.476 10 40 EGCB Nc1ccc(Oc2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 265865 KBQAHWRFBGDJAD-UHFFFAOYSA-N 334.331 3.450 10 40 EGCB CC[C@H](C)Oc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 107823954 MWACASQZRLSBCA-RVAQLADHSA-N 336.391 3.325 10 40 EGCB c1ccc(N2CCC(NCCCSc3nccs3)CC2)nc1 95968170 QRLSHQHAGZBASR-UHFFFAOYSA-N 334.514 3.279 10 40 EGCB O=C1[C@H](Cc2ccc(F)cc2)SC(=S)N1Cc1cccnc1 6970948 CRGBJANFCLHJDF-AWEZNQCLSA-N 332.425 3.192 10 40 EGCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(O)cc1 33694840 HEAZJKUXSSAJIV-WJDWOHSUSA-N 327.380 3.007 10 40 EGCB C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)C1 309613 NLZMFOJBQKDOBV-YYTPVVGHSA-N 329.469 3.455 10 40 EGCB O=[N+]([O-])c1ccc(-c2csc(Nc3ccccc3)[n+]2CCO)cc1 358447 SLQVUUDOKHUMEC-UHFFFAOYSA-O 342.400 3.347 10 40 EGCB Cc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C 408527497 FWWSYNPVHYTGCX-LFIBNONCSA-N 349.390 3.191 10 40 EGCB Cc1cc(N(CCO)CCO)ccc1/N=N/c1cc(F)ccc1F 100563218 GXZTYQUEABMZSU-QZQOTICOSA-N 335.354 3.480 10 40 EGCB O=C(O)CCCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 16904650 DWMUGYYTTDJPIP-FLIBITNWSA-N 341.841 3.406 10 40 EGCB Cn1ccnc1CN(Cc1cccs1)c1ccc2c(c1)OCCO2 72982304 AOHSUWNAFDLBAG-UHFFFAOYSA-N 341.436 3.460 10 40 EGCB O=C1NC(=S)S/C1=C/c1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1 5816352 HWXDCLSNQXLQTA-WUXMJOGZSA-N 348.361 3.049 10 40 EGCB O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccccc2)o1 264057 JCTXGDLONGMRBV-VBKFSLOCSA-N 340.404 3.249 10 40 EGCB Cc1cccc(N2C[C@](O)(c3cccs3)[N+]3=C2SCCC3)c1 425731 OZRQEVVJJMSTTH-KRWDZBQOSA-N 331.486 3.227 10 40 EGCB CN(C)c1ccc(/C=C/C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 68536243 BODYUVUMRLOWRU-FMIVXFBMSA-N 349.390 3.250 10 40 EGCB O=C(c1ccc2nc3ccc4ccccc4c3nc2c1)N1CCOCC1 408721217 FEIQAXBLARHLHL-UHFFFAOYSA-N 343.386 3.409 10 40 EGCB C[C@@H]1CNc2ncnc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2C1 41124000 FNRXYTRXAFNDOX-ZDUSSCGKSA-N 346.438 3.251 10 40 EGCB CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(O)c1 17218427 ZYAUVKJDEMGGOP-YBEGLDIGSA-N 340.766 3.488 10 40 EGCB FC(F)(F)c1[nH]nc(-c2cccs2)c1/N=N/N1CCOCC1 104119106 GMVNHSNIFYDYST-HTXNQAPBSA-N 331.323 3.488 10 40 EGCB CCc1ccc(-n2c(C)cc(/C=C3/NC(=S)NC3=O)c2C)cc1 448577 LMFPXHZGEJPJRE-MHWRWJLKSA-N 325.437 3.002 10 40 EGCB N=C(c1cccc([N+](=O)[O-])c1)N(O)/N=N/c1cccc([N+](=O)[O-])c1 15219123 VIHAOCCCZHVCAG-LMRBUECKSA-N 330.260 3.218 10 40 EGCB Cc1cc(C)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c(C)c1 7908305 UHSJICHJLDWEJG-UHFFFAOYSA-N 332.469 3.156 10 40 EGCB CN(C)/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 33432021 PUDJRTYBFCAPOY-OWBHPGMISA-N 348.431 3.493 10 40 EGCB C=Cn1ncc(CN2CCCN(c3ccc(OC)cc3)CC2)c1C 19554373 LDEUWJAMZCOYID-UHFFFAOYSA-N 326.444 3.013 10 40 EGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 12526477 PZJDZPDDRFXSGQ-UHFFFAOYSA-N 332.469 3.272 10 40 EGCB C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(Cl)ccc1Cl 96011696 DMTFCSQELCUCMB-MRVPVSSYSA-N 341.194 3.161 10 40 EGCB CN1CCN(C(=O)/C=C/c2ccc(N(C)C)cc2)[C@H](c2ccccc2)C1 32841688 JDBOOFIAJSWWPF-KVDXNUTJSA-N 349.478 3.281 10 40 EGCB C[C@@H]1CN(c2ccc(CNC(=O)C[C@H]3C=CCC3)cc2F)C[C@@H](C)O1 48354820 PTLVNNLSWSSNMN-OAGGEKHMSA-N 346.446 3.412 10 40 EGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1 17743826 LPUOROPWQUUYIN-UHFFFAOYSA-N 325.412 3.187 10 40 EGCB CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)c2ccccc21 409122519 ZCHDIFKXNJFNDM-CYVLTUHYSA-N 334.419 3.430 10 40 EGCB CCOc1ccccc1/C=C1\C(=O)NN(c2ccc(C)c(C)c2)C1=O 356226 VFTASKULNGVSOJ-SFQUDFHCSA-N 336.391 3.164 10 40 EGCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)c1 409245151 OCKIHARJEZAPQG-MDWZMJQESA-N 342.445 3.196 10 40 EGCB CN(C)c1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 12414025 HAKYJFVGDFGUFB-MKRLJBPISA-N 348.493 3.133 10 40 EGCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1 194521 PAYSDIVTEWDIFN-WQLSENKSSA-N 333.174 3.455 10 40 EGCB Cc1ccccc1N1C[C@@](O)(c2ccccc2)[N+]2=C1SCCC2 2966067 SQCGQFVETFEGQE-LJQANCHMSA-N 325.457 3.166 10 40 EGCB CC1(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccccc1C(F)(F)F)C(=O)C2=O 4727497 XMIHXAYKKLPBME-HWPZZCPQSA-N 339.313 3.218 10 40 EGCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(O)c1 113015 YXZZMEVYWAEBFK-PDGQHHTCSA-N 349.386 3.265 10 40 EGCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc2c1OCO2 408964980 JJLTUSININJUIM-NVNXTCNLSA-N 336.347 3.230 10 40 EGCB Cc1ccccc1C1=NN2C(=N)/C(=C/c3ccncc3)C(=O)N=C2S1 41108139 PETADMWBRKYCKE-WOSMYTDYSA-N 347.403 3.057 10 40 EGCB COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2 31997773 DKBYSDUFSXFXMP-MRXNPFEDSA-N 341.407 3.074 10 40 EGCB biogenic C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N(C)C)cc1 18215053 KNDOEQHYHCMYAD-CYBMUJFWSA-N 332.831 3.490 10 40 EGCB Cn1ncc2c(N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)ncnc21 52429076 ATNWNILACKXZFW-UHFFFAOYSA-N 348.385 3.277 10 40 EGCB CCOc1cccc(CN[C@@H](c2ccccc2)c2nccn2C)c1O 71792510 LNNPDHALDGLKMA-SFHVURJKSA-N 337.423 3.404 10 40 EGCB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2)C1=O 408872763 IINOXDHEAGVEOE-JLHYYAGUSA-N 340.766 3.315 10 40 EGCB Oc1c([C@H](c2cccs2)N2CCOCC2)ccc2cccnc12 19790507 CLIPMRZXGYNMOU-QGZVFWFLSA-N 326.421 3.424 10 40 EGCB Cc1cc(/C=C2\NC(=O)N=C2O)c(C)n1-c1ccc([N+](=O)[O-])cc1 14009269 LZBPRDUNDSUHTR-ZSOIEALJSA-N 326.312 3.023 10 40 EGCB C[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(N2CCC[C@@H](C)C2)cc1 216918092 GNEDOUFTIQJOBS-ZIFCJYIRSA-N 343.515 3.442 10 40 EGCB COc1cccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)c1 5766001 VXTRLLQKVNJJPC-GZTJUZNOSA-N 337.335 3.410 10 40 EGCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1F 10907732 IMJVUSYFJSAHOP-UHFFFAOYSA-N 342.414 3.243 10 40 EGCB CCOC(=O)C1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)CC1 14016117 XXWKYARIBPEWDF-UHFFFAOYSA-N 335.444 3.170 10 40 EGCB C[C@@H]1C[C@@H](N(C)Cc2cc(Br)ccc2O)CCN1C 93643632 UIHQMVVLLSKSJG-RISCZKNCSA-N 327.266 3.069 10 40 EGCB CC(C)N(C[C@H](O)c1ccc(O)c(O)c1)C(=O)Nc1ccccc1 95445334 CKPVBTFCEBTTMJ-KRWDZBQOSA-N 330.384 3.074 10 40 EGCB CNC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 11647117 RRXXJAGMUWNATC-UHFFFAOYSA-N 327.409 3.030 10 40 EGCB Cc1csc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)n1 41319593 TXZHJDKFFWNDFL-UHFFFAOYSA-N 344.484 3.094 10 40 EGCB COc1cccc(CN[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)c1 71825381 GXHKGNBYDMALNE-KRWDZBQOSA-N 339.483 3.298 10 40 EGCB COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)cc2)c1 7496835 UERPWCVUDLNTCR-UHFFFAOYSA-N 346.814 3.438 10 40 EGCB COc1ccc(N2CCC(NC(=O)COC3CCCCC3)CC2)cc1 69598656 OELURJQTJRTIIO-UHFFFAOYSA-N 346.471 3.130 10 40 EGCB CN(C)Cc1c(O)ccc2cc(-c3nc4ccccc4o3)c(=O)oc12 79401 BHWYZGMLEVGFMX-UHFFFAOYSA-N 336.347 3.368 10 40 EGCB biogenic CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(Cc2ccccc2)c1 12534302 FDAWSJDAJMNRJX-UHFFFAOYSA-N 348.450 3.270 10 40 EGCB COC(=O)C1=CN(c2cccc(C)c2)c2cc(F)ccc2S1(=O)=O 64979174 DTQRVUJEEKBPON-UHFFFAOYSA-N 347.367 3.074 10 40 EGCB COc1ccccc1N1C(=O)/C(=C\c2cccn2C)SC1=S 2440702 ILYZEABLZNDFAN-GXDHUFHOSA-N 330.434 3.440 10 40 EGCB COc1ccc(/C=C2/SC(NCc3ccccc3)=NC2=O)cc1O 96663300 QWDFGSPQYRHEMY-MHWRWJLKSA-N 340.404 3.161 10 40 EGCB CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)NC1=S 409077002 CGDNUBWAAGOTTN-VBKFSLOCSA-N 329.469 3.063 10 40 EGCB CCN(CC)CN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 19202054 LYJWYLDIRZNTLX-PTNGSMBKSA-N 349.525 3.253 10 40 EGCB COc1ccc(NC2=NC(=O)/C(=C\c3cccn3C)S2)c(OC)c1 5376801 WJULBHZBAAJUCL-OQLLNIDSSA-N 343.408 3.125 10 40 EGCB CCOc1ccc(/C=C2\C(=O)N(C(C)C)C(C)=C2C(=O)OC)cc1 58884117 NLLOFHXMTWOMHC-WJDWOHSUSA-N 329.396 3.166 10 40 EGCB CN(C)c1ccc(CN2CC3(CCN(Cc4ccccc4)C3)C2)cc1 96070796 WCVHEOJANQVRES-UHFFFAOYSA-N 335.495 3.461 10 40 EGCB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(F)F 7058162 SAAGJTKBPGEAOC-UXBLZVDNSA-N 331.365 3.128 10 40 EGCB O=C(NCc1ccc(N2CCCC2)cc1)c1csc([N+](=O)[O-])c1 52807234 BVXMRDVSZAFSCT-UHFFFAOYSA-N 331.397 3.187 10 40 EGCB CCc1nc(S/C(=C\c2ccc(N(CC)CC)cc2)C(=O)O)n[nH]1 213396784 WPBUHHJWXBMHAP-KAMYIIQDSA-N 346.456 3.431 10 40 EGCB COc1ccc(N(C)CCNC(=S)Nc2ccc(C)cc2)cc1 225797204 CEYCSZONDSCSDV-UHFFFAOYSA-N 329.469 3.426 10 40 EGCB CCOC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S 1217331 VVFLKJOVVUJTDU-LUAWRHEFSA-N 341.479 3.293 10 40 EGCB Cc1c(NCc2cc(Cl)ccc2O)c(=O)n(-c2ccccc2)n1C 547929 AYZMROZHTRVBCA-UHFFFAOYSA-N 343.814 3.456 10 40 EGCB CC(C)(C)c1cc(CN(CCO)CCO)c(O)c(-c2ccccc2)c1 1718280 BPJRSJRXANCQRV-UHFFFAOYSA-N 343.467 3.143 10 40 EGCB COc1ccc(C2=NN(C)C(=O)/C2=C\c2c[nH]c3ccccc23)cc1 18193416 DIFUPDJQTJLKPE-BOPFTXTBSA-N 331.375 3.436 10 40 EGCB CCN(CC)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 225790803 FTFFUJYYVVMLCF-UHFFFAOYSA-N 327.384 3.371 10 40 EGCB CCOc1cccc(CNc2cc(OC)c(OC)c(OC)c2)c1O 44836373 BXCBGPFJLPWAQE-UHFFFAOYSA-N 333.384 3.429 10 40 EGCB CCCOC(=O)CCCN1C(=O)/C(=C/c2ccco2)SC1=S 28464634 YFJGPCNZGDDSPS-BENRWUELSA-N 339.438 3.214 10 40 EGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccnc1 112111758 UPEOAXNBQDQQJS-WJDWOHSUSA-N 337.339 3.098 10 40 EGCB CCc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(N)=S)cc1 252506089 VXYIVIAUWJOYPO-KRWDZBQOSA-N 325.437 3.349 10 40 EGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 4356984 VXDQDIVHBFUZKI-WYSOHPGQSA-N 337.422 3.146 10 40 EGCB O=C1CN(C(=O)/C=C/c2cccc3cccnc23)c2ccccc2N1 13000443 ZMPSHMDCVALRBJ-ZHACJKMWSA-N 329.359 3.233 10 40 EGCB Cn1cc(/C=C2\C(=O)N(C(C)(C)C)C(=O)N=C2O)c2ccccc21 6238683 UTAPCOYZBSJGBK-LCYFTJDESA-N 325.368 3.279 10 40 EGCB Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@H](C)[C@@H](O)C2)c1C 95459357 JXTRXGAGWWLPOO-LIRRHRJNSA-N 326.440 3.245 10 40 EGCB CC(C)CC(=O)NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S 5552727 AGNQYVMBEVGLEF-PPRDQHCASA-N 336.438 3.114 10 40 EGCB CC1CCN(C2=NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)CC1 532068 ASGVOLIUJNWZNA-UVTDQMKNSA-N 331.397 3.297 10 40 EGCB O=C1/C(=C\c2ccco2)SC(=S)N1c1ccc2c(c1)OCO2 1411685 KQCDFCWLUDRTTP-NTUHNPAUSA-N 331.374 3.414 10 40 EGCB C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cnn(C)c2)SC1=S 6525219 BLLIELLGLFCNMZ-GYBQTFJISA-N 329.450 3.383 10 40 EGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2sccc2C)C1=O 13546844 PPFOBCIFOITYDE-XFXZXTDPSA-N 326.377 3.031 10 40 EGCB CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)cc1 16789983 VYTGHYFOYUTFAK-NTEUORMPSA-N 343.433 3.379 10 40 EGCB Cc1ccc(C)c(N2C[C@](O)(c3ccccc3)[N+]3=C2SCCC3)c1 3912337 NGNXHSSXHPSNIQ-FQEVSTJZSA-N 339.484 3.474 10 40 EGCB CC(C)N1c2ccc(/C=C3/NC(=O)NC3=O)cc2[C@@H](C)CC1(C)C 223550530 FVKYZDUBQYYQMU-DGGAMASNSA-N 327.428 3.368 10 40 EGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c[nH]c4ccccc34)C2=O)c1 53992 NCZDABPFOCBIHH-MHWRWJLKSA-N 345.358 3.143 10 40 EGCB CCOC(=O)C1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 19680922 YWEXHQWKIYEQNE-UHFFFAOYSA-N 348.830 3.369 10 40 EGCB O=C(C1CCCC1)N1CC[C@H](NCc2cc(Cl)cc(F)c2O)C1 1560395030 ZYHIYPPUZSJMFN-AWEZNQCLSA-N 340.826 3.065 10 40 EGCB Cc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)no1 9206212 OPVCNPIZVOAZOS-UHFFFAOYSA-N 332.315 3.011 10 40 EGCB COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2C)cc1 23055398 XQMYCOOIKMMUBA-GJZGRUSLSA-N 342.439 3.352 10 40 EGCB Fc1cc(CN[C@@H]2CCCc3occc32)ccc1N1CCOCC1 66972209 CVEHFHFMMJSRDN-QGZVFWFLSA-N 330.403 3.423 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 27533564 HNQROABKCCEDEW-SLJMDOFUSA-N 337.422 3.290 10 40 EGCB COc1cccc(/C=C2/SC(Nc3cccnc3)=NC2=O)c1OC 5375841 DTMKRZJKXSWLNM-NTEUORMPSA-N 341.392 3.181 10 40 EGCB CC1CCN(C2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)CC1 4455810 CQIRARNWTQEICQ-FOWTUZBSSA-N 329.469 3.455 10 40 EGCB Cc1cccc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)c1 4310748 IKGLRHOXUNCUGM-LLMQNPFWSA-N 338.314 3.176 10 40 EGCB Cc1nc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cs1 48234803 FCZZWEQGTCIFMG-CHWSQXEVSA-N 349.475 3.494 10 40 EGCB COc1cc(O)c(CN(C)C)c2oc(-c3ccccc3)cc(=O)c12 12897004 DZMCYZBSYGOKLB-UHFFFAOYSA-N 325.364 3.236 10 40 EGCB biogenic COc1ccc(N2C(=O)/C(=C/c3ccsc3)C(O)=NC2=S)cc1 441049 YAKJBBQYDFRABX-MDWZMJQESA-N 344.417 3.428 10 40 EGCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/SC(=O)NC2=O)o1 15008920 QDSSPOBUWOXOBT-NTUHNPAUSA-N 329.333 3.277 10 40 EGCB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N(C)C)cc1 18215054 KNDOEQHYHCMYAD-ZDUSSCGKSA-N 332.831 3.490 10 40 EGCB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3)C2=O)cc1 444925 OOVWHWMJLZSJKB-SFQUDFHCSA-N 334.375 3.476 10 40 EGCB CCN1/C(=C2/SC(=S)N(C)C2=O)Sc2ccc(OC)cc21 100498749 KHAULJKWIIAWPX-QBFSEMIESA-N 338.479 3.286 10 40 EGCB Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21 83314195 WAIFMBMUCOLJHE-OQLLNIDSSA-N 349.346 3.274 10 40 EGCB O=C1NC(=S)S/C1=C/c1c[nH]c2ccc(Br)cc12 17163009 NMPUBLCCXWRDAV-XCVCLJGOSA-N 339.239 3.419 10 40 EGCB O=C1NC(=S)S/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 6239989 ASNNRGKTLSIJDV-KRXBUXKQSA-N 335.193 3.390 10 40 EGCB Nc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)-c1ccccc1C3=O 10339130 AXHQLPBJOHKKNC-UHFFFAOYSA-N 339.358 3.068 10 40 EGCB COc1ccc(N2CCC(NC(=O)Cc3cccc(F)c3)CC2)cc1 69654418 FNOLMUDAQLVAEE-UHFFFAOYSA-N 342.414 3.162 10 40 EGCB COC(=O)c1ccc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)cc1 33294195 WTPAABRJSPIZGM-LFIBNONCSA-N 336.343 3.463 10 40 EGCB Cc1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(C)C4)N2)c(O)c1 5962323 IKMHRJJFTHORTP-OAHLLOKOSA-N 329.425 3.179 10 40 EGCB Cc1cc(O)c(CN(C)Cc2ccc(Br)o2)cc1O 95996997 RNFYIFHRKUHPHZ-UHFFFAOYSA-N 326.190 3.394 10 40 EGCB CCN(CC)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 79391073 WULFMLRIVLQCOZ-UHFFFAOYSA-N 326.440 3.400 10 40 EGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(OC)c1 408892791 JOCRNIOVPREXMN-BOPFTXTBSA-N 343.423 3.414 10 40 EGCB CC(=O)NCCc1nc[nH]c1/N=N\c1ccc(Br)cc1 104182377 FJIBPEZMMFUECK-HNENSFHCSA-N 336.193 3.266 10 40 EGCB COc1ccc(N2CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1 8138739 GNWKYZYUSJRWCO-UHFFFAOYSA-N 342.464 3.208 10 40 EGCB C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)C[C@@H](C)O1 96346687 VLXIBVNWZXDCMT-BPRHIIMESA-N 342.873 3.481 10 40 EGCB FC(F)(F)c1[nH]nc(-c2cccs2)c1/N=N\N1CCOCC1 16932207 GMVNHSNIFYDYST-ZPHPHTNESA-N 331.323 3.488 10 40 EGCB Oc1ccc(-c2nc3cnccn3c2NCCc2ccccc2)cc1O 12113855 FALGFRZZSJJUPW-UHFFFAOYSA-N 346.390 3.462 10 40 EGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2cccn2C)S1 20226991 XAYAZQROXNWXJJ-NTEUORMPSA-N 341.392 3.114 10 40 EGCB Cc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] 18150476 RUQLHCYIQYPZDF-UHFFFAOYSA-N 327.384 3.241 10 40 EGCB CCN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccnc2)cc1F 78912057 XPKUJTXOOZBFTP-HZPDHXFCSA-N 327.403 3.097 10 40 EGCB Cc1cc(N2CCCC2)c(F)cc1CN(CCO)Cc1cccnc1 12147793 JDYDEEXIEMNWTE-UHFFFAOYSA-N 343.446 3.124 10 40 EGCB COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1O 1607446 YUSYSJSHVJULID-AATRIKPKSA-N 332.352 3.303 10 40 EGCB Nc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(N)cc3)cc2)cc1 44803180 JEVKHUZPMJRYCK-UHFFFAOYSA-N 348.358 3.289 10 40 EGCB CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2)N(C)C)cc1 22418276 APRBIINGNYNFLZ-GOSISDBHSA-N 344.434 3.316 10 40 EGCB CCN(CC)c1ccc(CN2CCC(C(=O)NC(C)C)CC2)cc1 4676079 NNXLFUHXCVMIAA-UHFFFAOYSA-N 331.504 3.269 10 40 EGCB CN(Cc1ccc(N2CCOCC2)cc1)c1ncnc2sccc12 8165004 PXISNDKWGMPFDP-UHFFFAOYSA-N 340.452 3.164 10 40 EGCB COc1cc(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1N 100556785 GDLRISJAOGNLPD-QZQOTICOSA-N 337.383 3.491 10 40 EGCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1 18996594 RTRFZZGWYCUYAR-BOPFTXTBSA-N 335.363 3.412 10 40 EGCB CC(=O)N1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1 535387 JRGSRZHSIOAGDW-UHFFFAOYSA-N 348.855 3.440 10 40 EGCB aggregator CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3cccn3C)S2)cc1 6562996 YIUMTYZKBGMSSI-GDNBJRDFSA-N 340.408 3.066 10 40 EGCB Cc1nc(CN[C@H](C)c2ccc(N3CCN(C)CC3)c(F)c2)cs1 65519388 ZOKILEOXROLBSD-CYBMUJFWSA-N 348.491 3.193 10 40 EGCB CN(Cc1ccccc1O)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 95983171 JWHBBXMPOSUMPM-CQSZACIVSA-N 337.828 3.006 10 40 EGCB Cc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cnn1C 35657222 AHOKBNURRAORRJ-ZSOIEALJSA-N 329.450 3.130 10 40 EGCB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccsc3)C(=O)NC2=S)c1 4724068 BIESBEPQLIQWED-ZSOIEALJSA-N 342.445 3.196 10 40 EGCB CCOc1ccc(N/C=C2/C(=O)N(C(C)(C)C)C(=O)N=C2O)cc1 102546163 ILLBGDBGGTUGGV-JLHYYAGUSA-N 331.372 3.098 10 40 EGCB CCOC(=O)[C@]1(c2ccccc2)NN=C(c2ccc(C)cc2)S1 35906085 ZJCCIAASDMLZIQ-GOSISDBHSA-N 326.421 3.409 10 40 EGCB Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)[nH]c2c1C(=O)CCC2 23744756 YTHNFNIUAUJZBI-UHFFFAOYSA-N 339.439 3.180 10 40 EGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3sccc3C)C2=O)cc1 408984312 ITLWRQZXUFOBTK-UVTDQMKNSA-N 340.404 3.285 10 40 EGCB O=C(NCc1c(O)ccc2c1CCCC2)c1ncoc1[C@@H]1CCCO1 75159485 JSSXXMBATSHODN-INIZCTEOSA-N 342.395 3.041 10 40 EGCB CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@H]2O 100779223 LCAZOMIGFDQMNC-REGYPHIPSA-N 346.423 3.258 10 40 EGCB endogenous,in-man O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccccc1F 107937016 LKWSZKLDUYYHPL-SSZFMOIBSA-N 347.349 3.078 10 40 EGCB COc1ccc(N2CCN(c3cc(=O)oc4ccccc34)CC2)cc1 5738517 KHPSZASQIAZHBG-UHFFFAOYSA-N 336.391 3.128 10 40 EGCB COc1cccc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)c1O 573402 DTHRZZPHADEOPT-RLIURORJSA-N 332.425 3.103 10 40 EGCB CCOc1ccccc1/N=N\c1c(C)nn(C(N)=S)c1OCC 104237580 HLBUODHKQUYCNZ-ZCXUNETKSA-N 333.417 3.496 10 40 EGCB CN(Cc1ccccc1O)C(=O)Nc1ccc(Cn2cccn2)cc1 65614558 WVBUCQSCCUPHEB-UHFFFAOYSA-N 336.395 3.301 10 40 EGCB O=C1N=C(N2CCCCCC2)S/C1=C/c1cccc([N+](=O)[O-])c1 274798 PFEIPBUFIZKDBX-SDNWHVSQSA-N 331.397 3.441 10 40 EGCB O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1 1417254 GAQYWHAXDBGVFY-KAMYIIQDSA-N 340.429 3.233 10 40 EGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3F)C2=O)cc1 408984017 HTPRBZORMZEQHR-PTNGSMBKSA-N 338.338 3.055 10 40 EGCB CN(C)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1 15134343 OOKAPENDDRWKKY-UHFFFAOYSA-N 333.229 3.445 10 40 EGCB O=C(CSc1nccn1-c1ccccc1)c1ccc(O)c(O)c1 26127875 BHRXMOUIOHEBSS-UHFFFAOYSA-N 326.377 3.259 10 40 EGCB Nc1nn2c(=O)c3c([nH]c2c1/N=N/c1ccccc1F)CCCC3 4649613 SWOXXLJCYRHMBU-QZQOTICOSA-N 326.335 3.038 10 40 EGCB Cc1nc([C@@H](C)NC(=O)NCCCSc2nccs2)cs1 89709058 YZUCPMYSDOTUDS-SECBINFHSA-N 342.515 3.451 10 40 EGCB CC(C)(C)Oc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33620828 UKSPLPQGZFXGNW-SSZFMOIBSA-N 336.391 3.325 10 40 EGCB Oc1c(CN=c2nc(C3CCCC3)[nH]s2)ccc2cccnc12 585139162 ABYKSYXHSGBULB-UHFFFAOYSA-N 326.425 3.484 10 40 EGCB Cc1ccc(/C=C2/SC(=S)N(CCCCC(=O)O)C2=O)o1 1772281 QTNYSWBWSBYLNI-DHZHZOJOSA-N 325.411 3.044 10 40 EGCB CCOC(=O)[C@H](C)N1C(=O)/C(=C/c2sccc2C)SC1=S 1239066 HMXILQZGSDLPAZ-MKVDPYIPSA-N 341.479 3.209 10 40 EGCB CN(C)c1ccc(/C=C/c2nc(N)nc3nc4ccccc4n23)cc1 12323661 MPEWUMAOIZQCNO-FMIVXFBMSA-N 330.395 3.096 10 40 EGCB O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(N2CCCC2)cc1 10113504 LZBHNJCJRBYJGH-UHFFFAOYSA-N 339.395 3.054 10 40 EGCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1 12428939 QUQSYBLTTCLMLB-GHXNOFRVSA-N 349.173 3.160 10 40 EGCB COc1ccc(N2CCC(N(C)C(=O)c3ccc(C)nc3)CC2)cc1 69460900 UDTHTGVPAVCBEV-UHFFFAOYSA-N 339.439 3.140 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 974445 TWRCCMVAWAFZFA-LCFDYFRESA-N 339.413 3.280 10 40 EGCB CN(C)c1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 12509161 KVSLWQZLMMZDRB-UHFFFAOYSA-N 337.423 3.031 10 40 EGCB O=C1CCCN1C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 54175653 VBFQZPPAOBFZDR-IBGZPJMESA-N 336.435 3.075 10 40 EGCB O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)cc2)N1C1CC1 8129878 FPJIFRNAFHXRQD-FQEVSTJZSA-N 349.434 3.252 10 40 EGCB CCOc1cccc(CNCc2ccc(Cn3cccn3)cc2)c1O 69532789 HWCRBJOKFBYSGF-UHFFFAOYSA-N 337.423 3.326 10 40 EGCB Cc1[nH]c2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 440876 PZWTUGLZICMLCN-WJDWOHSUSA-N 345.358 3.143 10 40 EGCB O=C1OCCN1CCCN1CCCc2cc(OC(F)(F)F)ccc21 71826847 OWOFQMCGLFYADL-UHFFFAOYSA-N 344.333 3.180 10 40 EGCB O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1cccc(O)c1 5347178 YMEVMAAHQOZCBP-VGOFMYFVSA-N 345.401 3.209 10 40 EGCB COc1ccc(N(CCC(N)=O)Cc2c(F)cccc2Cl)cc1 22012675 AGYLAZOCLZPXHU-UHFFFAOYSA-N 336.794 3.370 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)c1ccc(-n2cncn2)cc1 66096706 XNSOINHHADVYHP-UHFFFAOYSA-N 336.395 3.025 10 40 EGCB CN1C(=O)C(=Cc2c3ccccc3cc3ccccc23)C(=O)N(C)C1=O 3189189 HIJCZAIGUJTSBG-UHFFFAOYSA-N 344.370 3.427 10 40 EGCB O=C(NN1C(=O)/C(=C\c2ccccc2)SC1=S)c1cccs1 1412511 QBUNCRITSOVLGY-FMIVXFBMSA-N 346.458 3.294 10 40 EGCB O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830584 BILUDTKTTDVOTC-LCYFTJDESA-N 343.389 3.396 10 40 EGCB C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2F)C[C@@H](C)O1 48354845 BSOJTLGTRJEYFZ-INMHGKMJSA-N 346.446 3.412 10 40 EGCB CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C/c1ccc(N(C)C)cc1 4818080 YFWCAEVIGAIXBT-FOWTUZBSSA-N 345.406 3.435 10 40 EGCB COc1ccc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)cc1OC 12417797 LXQBKQJXRIRGBZ-LFIBNONCSA-N 346.452 3.406 10 40 EGCB O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C/c1c[nH]c2ccccc12 2255668 SGGCZVMEOZFAQS-XNTDXEJSSA-N 331.331 3.039 10 40 EGCB COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 3547528 BGAYBYGYPYHXPA-UHFFFAOYSA-N 330.815 3.311 10 40 EGCB CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S 5597962 SJZHVMQOFSHBKO-POHAHGRESA-N 328.802 3.469 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3ccc(Cl)o3)CC2)cc1 69381867 RTTFSTMUNLTELI-UHFFFAOYSA-N 334.803 3.340 10 40 EGCB O=C(NC1CCC(O)CC1)N(Cc1ccco1)Cc1ccccc1O 60063942 ASFLJICVOCTLLQ-UHFFFAOYSA-N 344.411 3.001 10 40 EGCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)c1 10907072 SSLOEGSLPVIQJO-UHFFFAOYSA-N 338.451 3.412 10 40 EGCB CCN(CC)c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)o1 39127457 VENLQVIVVJUONB-UHFFFAOYSA-N 333.384 3.270 10 40 EGCB O=c1/c(=C/c2ccc(N3CCCC3)cc2)sc2nc3ccccc3n12 144127329 KKNGXYJIORANMA-AQTBWJFISA-N 347.443 3.057 10 40 EGCB CCN(CC)c1ccc(CNC(=O)c2ccc(OC)c(OC)c2)cc1 79390770 HXTIPVCYEKGBMI-UHFFFAOYSA-N 342.439 3.480 10 40 EGCB CCOc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1O 13110419 VZZSBMNUHURHQR-PTNGSMBKSA-N 332.425 3.247 10 40 EGCB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 95949106 GWVPGXWTICJILE-UHFFFAOYSA-N 349.434 3.384 10 40 EGCB CN(C)c1ncccc1CNCc1cc(Cl)cc(Cl)c1O 75126679 XOOILBHMRSQVQH-UHFFFAOYSA-N 326.227 3.450 10 40 EGCB COC(=O)Cn1c(-c2ccc(Br)cc2)cnc1SC 44085290 LPUBSRXVMMVGJI-UHFFFAOYSA-N 341.230 3.208 10 40 EGCB O=C(c1cc(C2CC2)on1)N(Cc1ccccc1O)C[C@H]1CCCO1 95434351 STQKYXMRLUZSGZ-OAHLLOKOSA-N 342.395 3.079 10 40 EGCB COc1ccc(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1 301506431 CWKWTJQHMHZCIP-UHFFFAOYSA-N 337.345 3.436 10 40 EGCB COc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1 296634 GYWPUBYIINRTFX-OQLLNIDSSA-N 342.782 3.118 10 40 EGCB COc1ccc(N2CCN([C@H](C)c3nc(C(C)(C)C)no3)CC2)cc1 58158581 XVRSSYDVQSRDDB-CQSZACIVSA-N 344.459 3.259 10 40 EGCB CN(C)c1ccc(CNC(=O)CSc2nc3ccccc3[nH]2)cc1 7221875 NVHFIULKDQQAAY-UHFFFAOYSA-N 340.452 3.037 10 40 EGCB COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2 31997771 DKBYSDUFSXFXMP-INIZCTEOSA-N 341.407 3.074 10 40 EGCB biogenic,in-vitro CCCCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1CC(=O)OC 17071682 FHHGXDNKILAANF-JXAWBTAJSA-N 343.427 3.006 10 40 EGCB CC(C)Nc1cc(N2CCCC2)c(N)c2c1C(=O)c1ccccc1C2=O 5451648 OISVAPXENWWLSE-UHFFFAOYSA-N 349.434 3.465 10 40 EGCB COCCCN1C(=O)/C(=C\c2ccc3c(c2)C[C@@H](C)O3)SC1=S 2440186 IGAJOHDYEJNJIX-HGLKBHAMSA-N 349.477 3.248 10 40 EGCB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 4478810 OTMCYCWFUBECRC-UEEORIODSA-N 345.804 3.153 10 40 EGCB CCOC(=O)c1sc2nc(CC)c3c(c2c1N)CC(C)(C)OC3 20100321 HHUIQTRHGULFQR-UHFFFAOYSA-N 334.441 3.469 10 40 EGCB COc1ccccc1-c1nnc2n1N[C@H](c1ccccc1O)S2 3843174 RYWBJGKUZAPHMV-HNNXBMFYSA-N 326.381 3.007 10 40 EGCB biogenic COc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=NCCN32)c(O)c1 72342085 SWDBLYDCUWPEKD-QGZVFWFLSA-N 329.787 3.241 10 40 EGCB Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 1092443 NEGHUUSPBWXHOY-MHWRWJLKSA-N 341.436 3.484 10 40 EGCB CN(C)c1ccc([C@H]2CC(c3cc4ccccc4oc3=O)=NN2)cc1 5334436 LAGXFOQQVBTVPU-QGZVFWFLSA-N 333.391 3.298 10 40 EGCB Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCNc2cnccn2)c1 58357882 NBVPUPDDXYEUNV-UHFFFAOYSA-N 349.438 3.034 10 40 EGCB Cc1nn(C)c(N(C)C)c1CNCc1ccc(N2CCCCC2)cc1 58415087 UGSWVUBKWONTQP-UHFFFAOYSA-N 341.503 3.075 10 40 EGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C)o2)SC1=S 4745680 AYBJANZMICZZHE-OYGDSYQHSA-N 339.438 3.433 10 40 EGCB CCCN1C(=O)N/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C1=O 409248952 MGDSXHOTSCRWRS-LDADJPATSA-N 337.423 3.456 10 40 EGCB O=C(O)CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 1216049 MIKAHYVSSIAFAM-WTKPLQERSA-N 348.232 3.279 10 40 EGCB O=C(c1cc(Cl)ccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 96410505 NPTWTQCDLPZTGC-HNNXBMFYSA-N 346.814 3.262 10 40 EGCB Oc1ccc2ccccc2c1CN1CCN(Cc2ccncc2)CC1 21741638 LNTPONITTOOIKJ-UHFFFAOYSA-N 333.435 3.258 10 40 EGCB COc1ccccc1-n1c(C)cc(C(=O)NCc2cccnc2)c1C 95480915 APGXKVXBQXRFFG-UHFFFAOYSA-N 335.407 3.428 10 40 EGCB Cc1cc(O)c(CN2CCC(C(=O)NC3CC3)CC2)cc1C(C)C 68963288 ISWCTLJEVROAAE-UHFFFAOYSA-N 330.472 3.315 10 40 EGCB COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc12 409399634 KYFJYZMPPCVWQS-AQTBWJFISA-N 344.370 3.310 10 40 EGCB CCOc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1OCC 18215144 FTHPJRRRKBBXTF-UHFFFAOYSA-N 342.439 3.480 10 40 EGCB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C1\SC(=S)NC1=O 7740627 NCUZIMSXSCARRO-GHXNOFRVSA-N 349.868 3.382 10 40 EGCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccccc1C(=O)O 408817189 XHEAPXFTWJSBQP-ZSOIEALJSA-N 342.376 3.116 10 40 EGCB O=C1N=C(O)/C(=C/c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 453638 RVGJFMMFZLFJSP-ZROIWOOFSA-N 337.291 3.102 10 40 EGCB Cc1nc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)oc1C 65801098 JGIIVNGTOSPNLF-OAHLLOKOSA-N 345.399 3.210 10 40 EGCB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1c(O)ccc2ccccc12 4899271 JKXIPRSPSBTEGU-QGZVFWFLSA-N 340.379 3.079 10 40 EGCB Cc1csc([C@H](C)NC(=O)NCCCSc2nccs2)n1 89705319 TYQZEINOJXWQOV-JTQLQIEISA-N 342.515 3.451 10 40 EGCB CCN(CC)CCN1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S 5375063 PVLWTFRKODAKMR-PTNGSMBKSA-N 348.493 3.042 10 40 EGCB C[C@H]1C[C@@H](N(C)Cc2cc(Br)ccc2O)CCN1C 93643633 UIHQMVVLLSKSJG-FZMZJTMJSA-N 327.266 3.069 10 40 EGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1ccc([N+](=O)[O-])cc1 100998476 BOAITPAMGJWPKA-OAHLLOKOSA-N 327.365 3.478 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1-c1ccccc1 65551161 AHBAWZLLIOPORP-UHFFFAOYSA-N 334.423 3.415 10 40 EGCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S 19793840 RJZWGPFJTILSFD-KIWPFMIBSA-N 345.401 3.307 10 40 EGCB COc1ccc(CNC(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)c1 45362866 ZRKCKDVACRJLIR-KPKJPENVSA-N 340.423 3.099 10 40 EGCB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccnc3)NC(=O)CCN21 1090264 SPXSHOYQYPZLDR-ZQAUEJBPSA-N 333.435 3.417 10 40 EGCB COc1ccc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 8138762 NGPFFJUJKKEUSP-UHFFFAOYSA-N 335.407 3.139 10 40 EGCB O=C1NC(=S)S/C1=C/Nc1cccc(C(=O)c2ccccc2)c1 90450624 PLIXJRSVSDXJGF-GXDHUFHOSA-N 340.429 3.319 10 40 EGCB COc1ccccc1Oc1coc2c(CN(C)C)c(O)ccc2c1=O 20357805 PNRQNTHNZGMQJX-UHFFFAOYSA-N 341.363 3.361 10 40 EGCB CCN(CC)c1ccc(C=C2C(=O)OC3(CCCC3)OC2=O)cc1 241994 CDMVGWJCNSKNQY-UHFFFAOYSA-N 329.396 3.287 10 40 EGCB COc1ccc(NC2=NC(=O)/C(=C/c3ccc[nH]3)S2)c(OC)c1 6570878 VMFIOKMOKSDRTI-ZSOIEALJSA-N 329.381 3.114 10 40 EGCB O=C(Cc1ccccc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 69737081 NJQCFYVSDINEAX-KRWDZBQOSA-N 343.398 3.282 10 40 EGCB COC(=O)C1=CN(c2cccc(Cl)c2)c2ccccc2S1(=O)=O 64979158 VELNJWUYCOCKDN-UHFFFAOYSA-N 349.795 3.280 10 40 EGCB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/SC(=O)NC2=O)o1 4350102 CAVSNCNEUYETHB-NTUHNPAUSA-N 329.333 3.277 10 40 EGCB CCCCc1noc(CN(Cc2ccccc2O)C[C@H]2CCCO2)n1 69708867 UJJZDXOPNHZBPI-MRXNPFEDSA-N 345.443 3.299 10 40 EGCB Cc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)nc1 5897444 WXDGCWWLTCHNBH-ZSOIEALJSA-N 327.409 3.464 10 40 EGCB CC(=C\c1ccco1)/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 408902571 KFXYVXOVANBRAR-VMPIADEKSA-N 340.310 3.031 10 40 EGCB CC(=C\c1ccco1)/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408893417 AGIPQDQOPSCINR-WFVPKAAFSA-N 336.347 3.201 10 40 EGCB Cc1c(C)c(C)c2c(c1C)CC1(OC2=O)C(=O)c2ccccc2C1=O 3847779 HICLPOYAKXVQCH-UHFFFAOYSA-N 334.371 3.451 10 40 EGCB biogenic CC(=O)N1CC[C@H](NCc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 84714883 PLEWMJQRXFZMCP-JXFKEZNVSA-N 329.488 3.023 10 40 EGCB Cc1cc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)ccc1F 49740443 VPWIBIMJJNDLRG-UHFFFAOYSA-N 348.443 3.213 10 40 EGCB CC1=NN(c2ccccc2)C(=O)[C@H]1Sc1ccccc1[N+](=O)[O-] 100563686 FMUNRBGNDIUVJJ-HNNXBMFYSA-N 327.365 3.478 10 40 EGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3sccc3C)C2=O)c1 113835500 XQWMBUINGIZIDS-UKTHLTGXSA-N 326.377 3.031 10 40 EGCB O=C1NC(=S)S/C1=C/c1ccc(-c2ccc3c(c2)C(=O)OC3)o1 5771042 IFFQWKPCNLXIGN-AWNIVKPZSA-N 343.385 3.106 10 40 EGCB O=C(CN1CCC[C@@H](O)C1)Nc1ccc(/N=N/c2ccccc2)cc1 23991882 SJXBVUBZSDINOF-KHOFPDMRSA-N 338.411 3.497 10 40 EGCB COc1ccc(-n2c(C)cc(C(=O)NCc3cccnc3)c2C)cc1 24713749 AZIJURPLNPXGRU-UHFFFAOYSA-N 335.407 3.428 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)nnn2CC 79336387 VUBCFKLMVGCUMI-UHFFFAOYSA-N 338.411 3.209 10 40 EGCB COc1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1O 96663445 DDOBIEIXDPSWAV-RIYZIHGNSA-N 344.417 3.202 10 40 EGCB O=C1N=C(N2CCc3ccccc3C2)S/C1=C\c1ccc(O)cc1 39285 QICNHAKVGSJKIJ-BOPFTXTBSA-N 336.416 3.421 10 40 EGCB O=C1/C(=C\c2ccco2)SC(=S)N1C(=O)c1ccccc1F 107912153 GWDYFBQOUXABKP-XYOKQWHBSA-N 333.365 3.460 10 40 EGCB N=C1/C(=C\c2ccc3c(c2)OCO3)C(=O)N=C2Sc3ccccc3N12 13540442 TTYFHHNLNLIUTP-DHIYZDIGSA-N 349.371 3.284 10 40 EGCB CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1)C1CC1 71819706 BPGWMITYFWOVTM-OKILXGFUSA-N 349.450 3.133 10 40 EGCB CCN1c2cc(C)c(/C=C3/NC(=O)NC3=O)cc2C(C)=CC1(C)C 208522236 HQHOEFRIWCWXOW-OQLLNIDSSA-N 325.412 3.197 10 40 EGCB O=C(O)CN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 18008817 DEVMXEUEEMYLLB-SQXCDDPUSA-N 339.825 3.095 10 40 EGCB COc1ccc(N2CCC(NC(=O)N3CCCC[C@H]3C)CC2)cc1 65592695 ICEBJQWPBGOFEI-OAHLLOKOSA-N 331.460 3.248 10 40 EGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(O)cc3)c2C)C1=O 409229061 JEGQIDLMXNDEKF-GZTJUZNOSA-N 339.395 3.102 10 40 EGCB Cc1cc(C(=O)NCC(C)C)c(C)n1-c1ccc2c(c1)OCCO2 28273329 PADXCFUTCGZZOF-UHFFFAOYSA-N 328.412 3.251 10 40 EGCB CCN(CC)c1ccc(CN(C)C(=O)c2ccc3[nH]nnc3c2)cc1 9115816 VVVYBEXQYASJHG-UHFFFAOYSA-N 337.427 3.076 10 40 EGCB Oc1ccccc1CN(Cc1nnnn1C1CC1)C1CCCCC1 69350922 WEGUTJFWFCURTL-UHFFFAOYSA-N 327.432 3.049 10 40 EGCB Cc1ccc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)cc1 32109463 JQNCDEXUWNPODJ-LLMQNPFWSA-N 338.314 3.176 10 40 EGCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]cn1 100423165 NEMGPBHGLGXFBB-JXAWBTAJSA-N 337.427 3.019 10 40 EGCB CN(C)c1ccc([C@H](CC(=O)O)NC(=O)c2ccc(Cl)cc2)cc1 203446 SAXJVFTTWMMNML-INIZCTEOSA-N 346.814 3.352 10 40 EGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccco1 5094194 LMVQSTHLGSRWEZ-DTQAZKPQSA-N 339.420 3.072 10 40 EGCB CCN1/C(=C2\SC(=S)N(C)C2=O)C=Cc2cc(OC)ccc21 3151730 IIKKPFRAYYCJTJ-YPKPFQOOSA-N 332.450 3.250 10 40 EGCB CCc1ccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)o1 55878066 QRGGLEGJECJUIM-UHFFFAOYSA-N 328.412 3.203 10 40 EGCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 14011220 QIOSAMBOGXZNBY-XNTDXEJSSA-N 340.766 3.315 10 40 EGCB Cc1ccc(O)c(CN2CCN(Cc3cc(C)ccc3O)CC2)c1 19365153 BFAIODMVERHPLO-UHFFFAOYSA-N 326.440 3.032 10 40 EGCB O=C(O)CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 1870914 NUQFKDQDRDRLHV-DHZHZOJOSA-N 341.841 3.406 10 40 EGCB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccccc1[N+](=O)[O-] 542794 RZFRYVCSAPZFCQ-YVNCXZRQSA-N 349.390 3.232 10 40 EGCB O=C1/C(=C/c2ccc(O)cc2)C(O)=NC(=S)N1c1ccccc1F 59135780 BNEMSJYYDORMPD-FMIVXFBMSA-N 342.351 3.203 10 40 EGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 5519413 BMWORLVHZYMOLL-ATVHPVEESA-N 330.343 3.007 10 40 EGCB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1nc3ccccc3s1)C(=O)C2=O 102616924 VPRJPSCRCJIXOB-QZTJIDSGSA-N 342.420 3.199 10 40 EGCB CC(=O)N1CCN(C(=S)c2ccc(-c3cccc(Cl)c3)o2)CC1 4175573 DJCWGJWVZYZJMD-UHFFFAOYSA-N 348.855 3.440 10 40 EGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(C)c1 14414319 FVUOYUIWBYIXGR-BOPFTXTBSA-N 337.375 3.461 10 40 EGCB C[C@@H](Sc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])ccc1O 14015389 ZXIGWUFEJPXQCE-LLVKDONJSA-N 332.381 3.097 10 40 EGCB CCCC[C@@H](NCc1c(O)ccc2c(CCC)cc(=O)oc12)C(=O)O 35686314 SWCREEAZBGSOCD-OAHLLOKOSA-N 347.411 3.184 10 40 EGCB CC(C)[C@H]1O[C@@]2(C)OC(=N)[C@@]1(C#N)C(C#N)(C#N)[C@H]2c1ccccc1 136925660 LDYURYAXCISGAL-HIRMHNASSA-N 334.379 3.092 10 40 EGCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 5551851 YIWHPMRCTGCDDD-UEUZTHOGSA-N 341.479 3.449 10 40 EGCB Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccccc1 5516287 GAPZZBYWHAJLAV-NFHCXAAFSA-N 349.419 3.343 10 40 EGCB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1c(O)ccc2ccccc12 4899270 JKXIPRSPSBTEGU-KRWDZBQOSA-N 340.379 3.079 10 40 EGCB CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 408742823 YHOUQZHBNLGUHU-SFQUDFHCSA-N 334.375 3.476 10 40 EGCB Cc1cccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2SCCC3)c1 2966106 SELPHLLAZPHGPN-LJQANCHMSA-N 325.457 3.166 10 40 EGCB CC1(C)[C@H]2CC[C@]1(C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2=O 4727498 HDRBYMPWWLJACJ-MEDUHNTESA-N 339.313 3.218 10 40 EGCB CCOc1cc(/C=C2\SC(Nc3cccnc3)=NC2=O)ccc1O 13814986 WQVQCZIGOYUABN-DHDCSXOGSA-N 341.392 3.268 10 40 EGCB O=C(O)CN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 966993 DXADFRHPQBUESF-JYRVWZFOSA-N 329.402 3.126 10 40 EGCB COc1ccc(-c2cnc(SCC(=O)NC3CCCC3)n2C)cc1 4850408 GALNTDFCCZRGAD-UHFFFAOYSA-N 345.468 3.247 10 40 EGCB Cc1cc(O)c(Cl)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4184366 NNFCTFXYNQFMBL-UHFFFAOYSA-N 342.760 3.063 10 40 EGCB Cc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 10906836 YQCMOAIUFMINRA-UHFFFAOYSA-N 330.453 3.165 10 40 EGCB COc1ccc([C@@H]2CC(c3cc(C)cc(C)c3O)=NN2)cc1OC 4368348 GUHKWSMMQFBTGA-HNNXBMFYSA-N 326.396 3.465 10 40 EGCB O=C1/C(=C/Nc2ccccc2O)SC(=S)N1Cc1ccco1 618255010 MPQLBIFYMJKQKU-JYRVWZFOSA-N 332.406 3.299 10 40 EGCB COc1ccc(N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 57350691 OGPPVMLHZPPSSI-OAHLLOKOSA-N 341.411 3.487 10 40 EGCB CC(/C=C1\SC(=S)N(N2CCOCC2)C1=O)=C\c1ccccc1 5418902 FGNIWOLSPKZOKF-DZIWGARNSA-N 346.477 3.081 10 40 EGCB O=C(O)CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 975593 NCILNNGPOXLNPV-MDWZMJQESA-N 346.433 3.234 10 40 EGCB Oc1ccc2ccncc2c1CN1CCN(c2ccc(F)cc2)CC1 12516798 NGXATFMMDJNYLJ-UHFFFAOYSA-N 337.398 3.402 10 40 EGCB COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccccc2)c1 7496657 KFBASLAOAXIXDZ-JXMROGBWSA-N 338.407 3.184 10 40 EGCB COc1ccc([C@@H](CN(C)C)NCc2ccc3c(c2)CCO3)cc1 330031993 GWZYXRIRDNFKOD-LJQANCHMSA-N 326.440 3.023 10 40 EGCB CCCN1C(=O)/C(=C\c2ccco2)C(=O)N(c2ccccc2)C1=S 4655904 SGQPZBWKEJDEQQ-NTCAYCPXSA-N 340.404 3.233 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC(=O)c1cccs1 65553955 BPVWKVRJVFRSJW-ZDUSSCGKSA-N 346.452 3.011 10 40 EGCB CCOc1ccccc1NC(=O)c1cn(Cc2ccc(N)cc2)cn1 71775351 FUXNHSHVMUCNJK-UHFFFAOYSA-N 336.395 3.165 10 40 EGCB CCOc1ccc(OC)cc1NC(=O)NCc1cccc(OC)c1O 71857110 BZFVEMTWGIFLEP-UHFFFAOYSA-N 346.383 3.130 10 40 EGCB O=C1/C(=C\c2ccccc2F)SC(=S)N1C(=O)c1cccnc1 33739182 REXCTVGMABKDGU-MDWZMJQESA-N 344.392 3.262 10 40 EGCB Fc1ccc2c(c1)CC[C@H]2NCc1ccc(N2CCOCC2)cc1 71837144 VTLUATZGPHKRSD-HXUWFJFHSA-N 326.415 3.439 10 40 EGCB CN1C(=O)/C(=C/c2cn(CC(=O)O)c3ccccc23)c2ccccc21 4517173 IPTQUAQKLODJKJ-MHWRWJLKSA-N 332.359 3.243 10 40 EGCB CCOC(=O)[C@@H](C)N1C(=O)/C(=C/c2sccc2C)SC1=S 1239064 HMXILQZGSDLPAZ-MDXIRLPMSA-N 341.479 3.209 10 40 EGCB Cc1ccc2c(c1)CCCN2Cc1cc(=O)oc2cc(O)c(O)cc12 12597518 HPQCJNDLBGQICY-UHFFFAOYSA-N 337.375 3.465 10 40 EGCB COc1ccccc1CN/C(C)=C1\C(=O)N(c2ccccc2)N=C1C 103916107 OPILQHACQZPCMD-RGEXLXHISA-N 335.407 3.482 10 40 EGCB CCNC(=O)CSc1ncc(-c2ccccc2)n1Cc1ccco1 11647120 BVJJSLNAABVVHR-UHFFFAOYSA-N 341.436 3.420 10 40 EGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C)o2)SC1=S 4745677 AYBJANZMICZZHE-SERMCNLOSA-N 339.438 3.433 10 40 EGCB O=S(=O)(Nc1ccc(F)cc1)c1c(Cl)ccc2nsnc12 32579222 AEPQGYAJRBAISE-UHFFFAOYSA-N 343.792 3.285 10 40 EGCB O=C(Cc1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 10113430 ZNNZCBDERAGNNU-UHFFFAOYSA-N 344.842 3.036 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3C)C2=O)cc1C 408784788 XKHKLUSJKNQLHU-GZTJUZNOSA-N 334.375 3.278 10 40 EGCB O=C(O)c1ccc(/N=N/Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1 4844120 NRWOSWLIVIPKGL-UHFFFAOYSA-N 330.256 3.102 10 40 EGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1O 408893876 NXQFEYCCZAYAIX-GDNBJRDFSA-N 329.396 3.111 10 40 EGCB CSc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 32099706 BYOCKKFEJAPJCG-BOPFTXTBSA-N 338.432 3.487 10 40 EGCB Cc1ccc(/C=C2/SC(=S)N([C@@H](CC(C)C)C(=O)O)C2=O)o1 4291539 JNIMKNGJTLPZDR-WBOGTDJTSA-N 339.438 3.289 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C)o2)SC1=S 4745740 RGWSJDWDLVIHQF-UEUZTHOGSA-N 325.411 3.043 10 40 EGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cnn(-c2ccccc2)n1 100955117 WXEWLFPQFOWWMX-SGRLSNSRSA-N 345.366 3.142 10 40 EGCB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(N2CCCCC2)cc1 89948924 ZWSQGMGZJLAYJT-PZJWPPBQSA-N 343.515 3.414 10 40 EGCB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccco2)SC1=S 19793841 RJZWGPFJTILSFD-SUIFULHWSA-N 345.401 3.307 10 40 EGCB O=C(O)c1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 19891612 NUVMJVTVRVSLOZ-MDWZMJQESA-N 345.401 3.379 10 40 EGCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc[nH]2)SC1=S 5374605 YDTZKSDZBWOXTE-KIWPFMIBSA-N 344.417 3.042 10 40 EGCB O=C1NC(=S)N=C(O)/C1=C\C=C(\Cl)c1ccc(Cl)cc1 33376427 RNGOPYPJSXTVSL-UXBLZVDNSA-N 327.192 3.217 10 40 EGCB C[C@H]1c2ccsc2CCN1CC(=O)NCc1ccc(N(C)C)cc1 7255650 HXZBVUPUOPQJCF-AWEZNQCLSA-N 343.496 3.050 10 40 EGCB Cc1nc(CNC(=O)NCCCSc2nccs2)sc1C 89559485 LZJFDGKWXKWTDR-UHFFFAOYSA-N 342.515 3.198 10 40 EGCB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cccc(F)c3)C2=O)c1 4704493 BBUPIIXWPANYHS-YBEGLDIGSA-N 338.338 3.109 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3c(F)cccc3F)CC2)cc1 71924431 TUUZJRDIPJOGIF-UHFFFAOYSA-N 346.377 3.372 10 40 EGCB CCOc1cc(N(CC)CC)ccc1/C=C1/SC(=S)NC1=O 1001217 QWMYXNBUPLHMFL-NTEUORMPSA-N 336.482 3.420 10 40 EGCB CCc1nnc(S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)O)o1 7365663 IVIDQBWBSLBZHC-SDNWHVSQSA-N 345.424 3.450 10 40 EGCB COc1ccccc1N1C(=O)/C(=C/c2ccccn2)SC1=S 5484721 HDOQDBHHSAXLBG-UVTDQMKNSA-N 328.418 3.496 10 40 EGCB CCCCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1 12654188 XLSKPCHJMCYXOK-SSZFMOIBSA-N 346.452 3.168 10 40 EGCB COc1ccc(N2CCN(C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 55715525 RZZCNCGHCQLOKV-IBGZPJMESA-N 346.858 3.204 10 40 EGCB O=C1N=C(Nc2cccnc2)S/C1=C\c1cnc2ccccc2n1 54361172 WXSUFERARLXTNG-NVNXTCNLSA-N 333.376 3.107 10 40 EGCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1cccc(Cl)c1 408876281 NORIDMZMSSHRQH-XFXZXTDPSA-N 344.729 3.146 10 40 EGCB Oc1cc2c(cc1[C@@H](c1ccccc1Cl)N1CCOCC1)OCO2 20720796 XWAOYCUGAZVUTI-GOSISDBHSA-N 347.798 3.196 10 40 EGCB CC(=O)c1ccc(OC[C@@H]2CN[C@H](c3ccc(N(C)C)cc3)O2)cc1 32722766 RYOFAHLLLJAPSX-PMACEKPBSA-N 340.423 3.021 10 40 EGCB COc1ccccc1N1CCC(NCc2c(C)cccc2O)CC1 585118592 VIOBUMFLSICVIL-UHFFFAOYSA-N 326.440 3.468 10 40 EGCB O=C1N=C(O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 3189367 WEFXFAYDBLLFJW-GXDHUFHOSA-N 337.291 3.102 10 40 EGCB Cc1ccc(Cl)c2c1NC(=O)[C@@]21NN=C(c2ccccc2)S1 342231 CCTVDCCJJCULAV-MRXNPFEDSA-N 329.812 3.452 10 40 EGCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccccn2)cc1 75127502 PFQSVCVYERKSES-UHFFFAOYSA-N 337.345 3.352 10 40 EGCB CN(C)c1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 49169661 CONKXKQXXMOCII-KRWDZBQOSA-N 349.438 3.187 10 40 EGCB biogenic,in-vitro Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2C)no1 5263806 ODLVGBXCIKVXGP-UHFFFAOYSA-N 328.397 3.114 10 40 EGCB COP(=O)(OC)[C@@H](Nc1nccs1)c1ccc(O)c(O)c1 16194418 ZCYGRGZWKBUSNB-LLVKDONJSA-N 330.302 3.151 10 40 EGCB COc1ccc(N(C)CCNC(=S)Nc2ccc(F)cc2)cc1 225797888 MKBSDWBQBWCGSV-UHFFFAOYSA-N 333.432 3.257 10 40 EGCB COC(=O)CCNC(=O)/C=C/c1cc(C)n(-c2ccc(C)cc2)c1C 32989677 SLEVCPZJZFSNKM-JXMROGBWSA-N 340.423 3.095 10 40 EGCB CN(Cc1ccccc1O)C(=O)c1cc(Cl)c2c(c1)OCCCO2 42116652 JHBHSXMYBKWBJN-UHFFFAOYSA-N 347.798 3.479 10 40 EGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)cc2)cc1 56105714 ROXOQZYNIQGKRY-UHFFFAOYSA-N 348.468 3.020 10 40 EGCB COc1ccc(-c2nnc3n2N[C@@H](c2ccccc2O)S3)cc1 3843156 YFWMWMBWWJOXBM-OAHLLOKOSA-N 326.381 3.007 10 40 EGCB biogenic O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCN1CCCC1 604404497 OTDPSXCDGNFWAT-UHFFFAOYSA-N 344.414 3.309 10 40 EGCB biogenic CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@@H]2O 100779222 LCAZOMIGFDQMNC-ASKNOMKYSA-N 346.423 3.258 10 40 EGCB endogenous,in-man Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1 7770033 SAHZESOVYIEUCF-UHFFFAOYSA-N 333.391 3.445 10 40 EGCB CCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)SC1=S 9256903 CURBVPYXOFERRD-UXBLZVDNSA-N 329.830 3.275 10 40 EGCB CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 7908474 ZURZPQGZMMLPGQ-UHFFFAOYSA-N 344.480 3.110 10 40 EGCB CCN(C)c1ccc(CNC(=O)CCCc2ccccn2)cc1F 95396491 AYOFBISWJBUWBD-UHFFFAOYSA-N 329.419 3.316 10 40 EGCB Cc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 521419 YIRWECYWRIVZMF-WJDWOHSUSA-N 334.375 3.278 10 40 EGCB CN(C)c1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N(C)C)cc1 5097788 RTEDNAIJCVBVPR-SFHVURJKSA-N 345.874 3.439 10 40 EGCB O=C(Nc1nccs1)N(Cc1ccccc1O)C[C@H]1CCCO1 52460572 ZEDFSPMDOPEHKV-CYBMUJFWSA-N 333.413 3.062 10 40 EGCB COc1cc(N(C)Cc2nc3ccccc3o2)cc(OC)c1OC 96424544 MATWKCGVDAEYBX-UHFFFAOYSA-N 328.368 3.490 10 40 EGCB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 1276903 HHLUIOLYUTVOBV-XNYAHFKXSA-N 341.841 3.103 10 40 EGCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Br)cc1 110976 FYDDBTDJAHJJCY-UHFFFAOYSA-N 337.169 3.203 10 40 EGCB Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1[N+](=O)[O-] 13649229 DQXARWGWLSDDNZ-UHFFFAOYSA-N 339.395 3.433 10 40 EGCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 8326894 VSEKXUGNKDYGLQ-IGISWIECSA-N 341.479 3.449 10 40 EGCB COC(=O)C1=CN(c2ccc(C)cc2)c2cc(F)ccc2S1(=O)=O 64979173 NWMKBAACKNAEGD-UHFFFAOYSA-N 347.367 3.074 10 40 EGCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C 1408306 XNTPDNBWHDXYAR-OVCLIPMQSA-N 329.787 3.393 10 40 EGCB O=S(=O)(Nc1nc(-c2ccco2)cs1)c1ccc2c(c1)COC2 72275910 LUFRLTZQRNVSAA-UHFFFAOYSA-N 348.405 3.234 10 40 EGCB COc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1O 35086479 MVZXSOLGRQCTHY-RIYZIHGNSA-N 347.417 3.395 10 40 EGCB O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1c1ccccc1 1152536 PHFMDOMNZUSADB-JXAWBTAJSA-N 333.391 3.384 10 40 EGCB CC1=NN(c2nc3ccccc3[nH]2)C(=O)/C1=C\c1ccc(N(C)C)cc1 13284117 YFWCAEVIGAIXBT-VBKFSLOCSA-N 345.406 3.435 10 40 EGCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)NC2=S)cc1 367366 VIHSMGKUDVAWDM-ATVHPVEESA-N 337.448 3.323 10 40 EGCB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1C1CCCCC1 1410467 ORUHWCLHXHJUED-UHFFFAOYSA-N 343.427 3.044 10 40 EGCB COC1CCN(C(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 56294506 JCYFYQYWHILLBO-UHFFFAOYSA-N 330.403 3.484 10 40 EGCB Cc1cc(C(=O)N(C)Cc2ccccc2O)c(C)n1-c1ccccn1 71815211 QWSQFWLCNLVCIH-UHFFFAOYSA-N 335.407 3.467 10 40 EGCB O=C(c1ccco1)N1N=C(c2ccncc2)C[C@@H]1c1ccccc1O 4292076 JCVOUEGAMOBMHY-MRXNPFEDSA-N 333.347 3.372 10 40 EGCB CC(=O)Nc1cccc2c1CCN(Cc1c(O)ccc3ccncc13)C2 54572032 BEMXYDHGMBQUDZ-UHFFFAOYSA-N 347.418 3.457 10 40 EGCB O=C(O)CCCN1C(=O)/C(=C/c2ccc(F)c(F)c2)SC1=S 44868792 WUVMGDDHCONRQU-XFFZJAGNSA-N 343.376 3.031 10 40 EGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 108118647 DAGYPZRNJASYRF-WQLSENKSSA-N 333.174 3.455 10 40 EGCB CCc1ccc(/C=C2\SC(=S)N([C@@H](CC)C(=O)O)C2=O)cc1 5373502 ANISMWCLRZYGLV-VWLVURMCSA-N 335.450 3.313 10 40 EGCB COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1Br 27496640 LQDKUVCPUGQGOO-UXBLZVDNSA-N 344.255 3.289 10 40 EGCB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCn1ccnc1 604404928 MBUQTGNRHRSPLU-UHFFFAOYSA-N 341.370 3.110 10 40 EGCB biogenic CC1(C)[C@]2(C)CC[C@]1(C(=O)Oc1cccc3cccnc13)C(=O)C2=O 101426494 JLGLQCSANJATHP-WOJBJXKFSA-N 337.375 3.105 10 40 EGCB CN1C(=O)/C(=C\c2ccc(C(=O)c3cccnc3)cc2)SC1=S 28296839 YEHIMGDZTKURJT-NTEUORMPSA-N 340.429 3.144 10 40 EGCB c1cncc(-c2n[nH]cc2CNCc2ccc(N3CCCC3)cc2)c1 97159314 WLFXRKHVWACNGP-UHFFFAOYSA-N 333.439 3.362 10 40 EGCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H]3CCCN(C)C3)cc2)CC1 216917679 MNYGSQGRBNXNKG-IEBWSBKVSA-N 343.515 3.442 10 40 EGCB CCOc1ccccc1/C=C1\C(=O)NN(c2ccc(Cl)cc2)C1=O 315244 ZUICYHSFKVTBBI-RVDMUPIBSA-N 342.782 3.200 10 40 EGCB CC[C@@H](C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C 4696483 DOJZXJCNYBCWAA-MKVLZVNKSA-N 344.367 3.066 10 40 EGCB Cc1ccc(/C=C2/SC(Nc3ccccc3C(=O)O)=NC2=O)o1 20226950 HLYYKJOXRGSKMF-MDWZMJQESA-N 328.349 3.369 10 40 EGCB CCc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408897987 KDNGROAZNWMPCD-SFQUDFHCSA-N 334.375 3.224 10 40 EGCB COc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cn1 223952114 XPRYWFACIWLNJP-UHFFFAOYSA-N 342.468 3.177 10 40 EGCB COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CCCC2)cc1 6411367 TUODYFDDFYVYBP-IBGZPJMESA-N 327.380 3.315 10 40 EGCB COc1ccc(/C=C2\SC(=S)N(CN3CCCCC3)C2=O)cc1 13398562 IQBDSEFFRGVQTG-PTNGSMBKSA-N 348.493 3.340 10 40 EGCB CC(C)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 408600914 HBKSFBLPJOABEJ-PDGQHHTCSA-N 336.391 3.183 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2F)SC1=S 5374096 OJUCREJVBUDUDF-HQQGHWSLSA-N 339.413 3.280 10 40 EGCB C[C@H](C(=O)O)N1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 4478811 OTMCYCWFUBECRC-XREMMQICSA-N 345.804 3.153 10 40 EGCB CC[n+]1cccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 6711264 KKROMADDWWBTNM-SDNYCIMKSA-O 348.470 3.021 10 40 EGCB Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(CCC(=O)O)C1=O 102798764 RNYZKMZCWJTBMF-MDWZMJQESA-N 346.433 3.152 10 40 EGCB Cc1cc(C(=O)[C@@H](C)Sc2n[nH]c(N)n2)c(C)n1-c1ccccc1 6606869 RBVVCHYYRIXLPA-GFCCVEGCSA-N 341.440 3.158 10 40 EGCB Cc1ccc(CNCc2ccc3c(c2)CCO3)c(O[C@H]2CCOC2)c1 89623630 VNQLIHCASJXJNK-IBGZPJMESA-N 339.435 3.387 10 40 EGCB Cc1cc(/C=C2/C(=O)NC(=S)N=C2O)c(C)n1C1CCCCC1 8769041 QWNRTVZJEMWYAC-UHFFFAOYSA-N 331.441 3.365 10 40 EGCB O=C1c2ccccc2C(=O)c2c3c(cc(O)c21)N[C@@H]1CCCC[C@@H]1N3 104075928 QCJPFQXXMJWVLU-OLZOCXBDSA-N 334.375 3.316 10 40 EGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1O 408995406 CJDJBGWFZHFZEZ-VBKFSLOCSA-N 335.359 3.269 10 40 EGCB COc1ccccc1NC1=NC(=O)/C(=C\c2ccc(O)c(O)c2)S1 35644343 QPFFRUKWBXVLPV-OQLLNIDSSA-N 342.376 3.189 10 40 EGCB CC(=O)Nc1ccc2nc(/C=C\c3ccc(N(C)C)cc3)c(=O)oc2c1 17174620 QASQDCHYBPEMDA-POHAHGRESA-N 349.390 3.383 10 40 EGCB O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(N2CCCC2)cc1 44919021 JLQQGASUCBRKAG-UHFFFAOYSA-N 348.450 3.412 10 40 EGCB CC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O 444659 QVNNELNBDJBNFW-INIZCTEOSA-N 337.335 3.074 10 40 EGCB COc1cc(/C=C2/C(=O)N(C)c3ccccc32)c([N+](=O)[O-])cc1OC 7000375 UXXCMOFFUDSKCX-MDWZMJQESA-N 340.335 3.129 10 40 EGCB COc1ccc(N2CCN(C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 55715527 RZZCNCGHCQLOKV-LJQANCHMSA-N 346.858 3.204 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1O 12437013 YNGNTLZWFUELHI-UVTDQMKNSA-N 338.323 3.019 10 40 EGCB O=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1cccc(O)c1 5376156 NQGAZNFBZOAPIT-AUWJEWJLSA-N 329.333 3.044 10 40 EGCB Cc1ccccc1N1C[C@](O)(c2cccs2)[N+]2=C1SCCC2 2966099 UVGYIGFQJSOQDG-KRWDZBQOSA-N 331.486 3.227 10 40 EGCB CCN(C)c1ccc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 483045 MBNWQHDVZWRUIZ-CPNJWEJPSA-N 349.434 3.221 10 40 EGCB O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(F)cc1 16157491 RBQIGDGWFTXMDT-GHXNOFRVSA-N 334.709 3.080 10 40 EGCB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(N2CCCCC2)cc1 89948923 ZWSQGMGZJLAYJT-TZIWHRDSSA-N 343.515 3.414 10 40 EGCB NC[C@H]1O[C@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O 3871343 QLJOSZATCBCBDR-TXQQRIEOSA-N 329.440 3.255 10 40 EGCB biogenic,in-vitro Cn1c(/C=C2/SC(Nc3ccccn3)=NC2=O)nc2ccccc21 5236017 ZJNXHEYEGWCFQX-JLHYYAGUSA-N 335.392 3.051 10 40 EGCB COc1ccc(N2CCN(c3ncnc4sccc34)CC2)cc1 2637315 CPJWIXOCIACAFI-UHFFFAOYSA-N 326.425 3.027 10 40 EGCB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccccc1Cl 409002463 UZSBKGJYILUEHO-KAMYIIQDSA-N 349.814 3.049 10 40 EGCB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Cl)cc1 408908396 CFFLCRQCSGUUIP-RIYZIHGNSA-N 344.729 3.146 10 40 EGCB CCOc1ccccc1/C=C1/C(=O)NN(c2cccc(Cl)c2)C1=O 32109821 ZCFDUTNUSDZTEX-GDNBJRDFSA-N 342.782 3.200 10 40 EGCB Cc1cc(C(=O)O[C@@H](C)C(=O)NC(C)C)c(C)n1-c1ccccc1 16047197 MPLWKKIFLAASQG-HNNXBMFYSA-N 328.412 3.164 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)c1ccc(C(=O)N(C)C)cc1 102896941 WZTLYVRYEKUVMF-UHFFFAOYSA-N 340.423 3.146 10 40 EGCB NC(=O)[C@H](NCc1cc(-c2ccccc2)ccc1O)c1ccccc1 71792508 PPHHKRWBTWXSGY-HXUWFJFHSA-N 332.403 3.375 10 40 EGCB Cc1ccc(-n2c(C)cc(C(=O)CSc3ncn[nH]3)c2C)cc1 5932013 JFINSQVYOJAREH-UHFFFAOYSA-N 326.425 3.496 10 40 EGCB O=S(=O)(Nc1cccc2cccnc12)c1cccc2nsnc12 19095873 KQXAVPNAOZQCQC-UHFFFAOYSA-N 342.405 3.040 10 40 EGCB Cc1cccc(C)c1OC1CCN(C(=O)Cc2ccc(N)cc2)CC1 195543274 XBJCXHJOLJLRSW-UHFFFAOYSA-N 338.451 3.498 10 40 EGCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1O 4356917 JDCKUMXKXNPDFG-KPKJPENVSA-N 347.373 3.089 10 40 EGCB O=C(CSc1nccs1)N1CCc2[nH]c3ccccc3c2C1 47271498 ALJJINBFQDOBTC-UHFFFAOYSA-N 329.450 3.301 10 40 EGCB CN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(O)=NC1=S 1238848 ZBMNRXPZRFMSBG-XYOKQWHBSA-N 330.340 3.183 10 40 EGCB Cc1cc(/C=C2\NC(=S)NC2=O)c(C)n1-c1ccc(Cl)cc1 13800950 CRQIQBOXJOFFDR-ZSOIEALJSA-N 331.828 3.093 10 40 EGCB CCOc1cccc(CNCc2cccc(N3CCOC3=O)c2)c1O 66974094 AWDUKYNANBKLFK-UHFFFAOYSA-N 342.395 3.037 10 40 EGCB COc1ccc(N2CCN(C(=O)Nc3ccccc3OC)CC2)cc1 13610559 LAGLSVQKWRFTFA-UHFFFAOYSA-N 341.411 3.058 10 40 EGCB Cc1ccc2c(c1)S[C@H](C(=O)NCc1ccc(N(C)C)cc1)C2 10433427 GRIJHQGLVRAWMC-SFHVURJKSA-N 326.465 3.394 10 40 EGCB Cc1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)o1 17027993 QUYBMJHCUBNSFC-RIYZIHGNSA-N 328.299 3.229 10 40 EGCB CC[C@H](C)N1C(=O)/C(=C\c2cn(C)c3ccccc23)C(=O)N=C1S 6830084 HSMILGRKQZFRQJ-HOXUKUGESA-N 341.436 3.015 10 40 EGCB COc1ccc(N2CCN(C(=O)Cc3cc(C)ccc3C)CC2)cc1 20461109 WUOABZVWPLUJCY-UHFFFAOYSA-N 338.451 3.203 10 40 EGCB CN(C)c1ccc([C@@H](Nn2cnnc2)c2cc(Cl)ccc2O)cc1 546462 UOOGTKYMXBVIQC-QGZVFWFLSA-N 343.818 3.036 10 40 EGCB CCN1c2cc(C)c(/C=C3/NC(=O)NC3=O)cc2[C@@H](C)CC1(C)C 223577474 LVHJGCHQNKLBBC-DGGAMASNSA-N 327.428 3.287 10 40 EGCB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 222720352 JSIKXKHIENFHPP-UHFFFAOYSA-N 336.432 3.150 10 40 EGCB CC[C@@H]1Oc2cc([C@H](C)NCc3cc(F)ccc3O)ccc2NC1=O 1615588192 YSUOEVFSOKFRSE-GTNSWQLSSA-N 344.386 3.492 10 40 EGCB CCCc1cc(=O)oc2c(CN[C@H](C(=O)O)[C@@H](C)CC)c(O)ccc12 4041698 QUNCZWVRGYTLBS-GTNSWQLSSA-N 347.411 3.040 10 40 EGCB biogenic CC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O 444660 QVNNELNBDJBNFW-MRXNPFEDSA-N 337.335 3.074 10 40 EGCB CN(Cc1ccccc1O)C(=O)Cc1cccc(Br)c1 69532738 XTEBWMJGBZCDGG-UHFFFAOYSA-N 334.213 3.356 10 40 EGCB COc1cccc(/C=C2\SC(N3CCCCCC3)=NC2=O)c1O 13547474 MAHCYEYRFQYWEG-KAMYIIQDSA-N 332.425 3.247 10 40 EGCB CC(=O)N1CC[C@@H](NCc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 84714886 PLEWMJQRXFZMCP-OXJNMPFZSA-N 329.488 3.023 10 40 EGCB COc1ccc(N2CCN(c3nc(C(F)(F)F)cs3)CC2)cc1 12952160 RWXINWLQTAACFN-UHFFFAOYSA-N 343.374 3.497 10 40 EGCB O=C1/C(=C/c2ccccc2O)SC(=S)N1CN1CCCCC1 24718125 KULUXWLTWDVJLP-UVTDQMKNSA-N 334.466 3.037 10 40 EGCB NC[C@@H]1O[C@@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O 3871344 QLJOSZATCBCBDR-STEFMKRESA-N 329.440 3.255 10 40 EGCB biogenic,in-vitro COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(C)C 7361241 PZLAUQXNRSPPFL-UHFFFAOYSA-N 349.408 3.348 10 40 EGCB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc(O)c(O)c2)S1 35644323 JUOGRXFSWNZIBL-OQLLNIDSSA-N 326.377 3.489 10 40 EGCB CCOC(=O)c1ccc(NC(=S)NCc2ccccn2)c(C)c1 225330066 ZOFJPGGRJXKWNE-UHFFFAOYSA-N 329.425 3.053 10 40 EGCB CCOC(=O)c1c2c(n3ccc(C)cc13)C(=O)c1ccccc1C2=O 505564 MCSUUWAXVCCGQU-UHFFFAOYSA-N 333.343 3.200 10 40 EGCB biogenic Oc1cc2c(cc1[C@@H](Nc1ncccn1)c1ccc(F)cc1)OCO2 6599350 KSLFZSPCZHXEAP-KRWDZBQOSA-N 339.326 3.252 10 40 EGCB CN1CCCc2cc(CNC(=O)CSCc3ccncc3)ccc21 57550464 CRVOLWQQFXBGBN-UHFFFAOYSA-N 341.480 3.014 10 40 EGCB Cc1cccc(-c2nnc3n2N=C(c2ccc(O)c(O)c2)CS3)c1 527242 AZLGJKFLFXCUBE-UHFFFAOYSA-N 338.392 3.023 10 40 EGCB CSc1ncccc1C(=O)NCc1ccc(N2CCCC2)cc1 28330829 OWLDCOBDMOAORE-UHFFFAOYSA-N 327.453 3.334 10 40 EGCB Cc1cccc(-n2c(C)cc(C(=O)N3CCC[C@H](CO)C3)c2C)c1 84213245 JJJDBUUVRCGKQY-KRWDZBQOSA-N 326.440 3.247 10 40 EGCB O=C1N=C(O)/C(=C\c2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 59106208 JBHDXPMMEHDYBO-NTEUORMPSA-N 328.274 3.472 10 40 EGCB CCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 15931352 GIDYNNPNMOCMFW-SUNVMROUSA-N 346.452 3.165 10 40 EGCB CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cc3c(cc2O)CCC3)C1 97907396 RQNVXGNNXFOHFA-KRWDZBQOSA-N 346.471 3.370 10 40 EGCB Cc1ccc(N2NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1C 33412836 RJBYFTIAWIQRAR-MHWRWJLKSA-N 326.783 3.418 10 40 EGCB CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccccc2C)cc1 224608459 FGZDVBNAHNKCLQ-UHFFFAOYSA-N 346.496 3.461 10 40 EGCB COc1ccc(N(C)CCNC(=S)Nc2cccc(OC)c2)cc1 225797582 ZDOMDWVXNNFMKX-UHFFFAOYSA-N 345.468 3.127 10 40 EGCB O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1O 13576057 ORYTUYUCLOMYRU-XFFZJAGNSA-N 349.173 3.160 10 40 EGCB COc1cccc(C2=C[C@H](c3ccc(N(C)C)cc3)n3ncnc3N2)c1 101028199 ZMBCOPYNZMWKKD-LJQANCHMSA-N 347.422 3.409 10 40 EGCB CCN1C(=O)/C(=C/c2cn(CC)c3ccccc23)C(O)=NC1=S 1275107 AXMUDWARPFOUQA-UKTHLTGXSA-N 327.409 3.148 10 40 EGCB Nc1cc(Oc2ccccc2)c(N)c2c1C(=O)c1ccccc1C2=O 11851827 ASTPCNFEMITZLZ-UHFFFAOYSA-N 330.343 3.419 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(F)cc1[N+](=O)[O-] 102580688 ZXRCZAGMGJMIPK-UVTDQMKNSA-N 340.314 3.452 10 40 EGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccc[nH]2)S1 6613974 ZMCYBNIYTSBNIS-JYRVWZFOSA-N 327.365 3.104 10 40 EGCB CCOc1ccc(CN(CC(N)=O)c2ccc(OC)c(Cl)c2)cc1 10545634 MIZMKYGQROVTDE-UHFFFAOYSA-N 348.830 3.239 10 40 EGCB Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 408818770 YVWIGSGORCZACO-MKMNVTDBSA-N 349.818 3.232 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(C)c2)SC1=S 5373456 NREKYQNWLAYJKD-FNWMBBJUSA-N 335.450 3.450 10 40 EGCB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 1809361 JNURUYPXZIQOIP-LCYFTJDESA-N 335.450 3.149 10 40 EGCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3/NC(=O)NC3=O)cc21 208244440 HXTOKHSCQIBPIJ-UWZPUTRXSA-N 333.819 3.242 10 40 EGCB CCCCc1nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)no1 69707595 BKFARLMWKDMEQZ-INIZCTEOSA-N 345.443 3.299 10 40 EGCB CC(=O)c1cccc(NC2=NC(=O)/C(=C\c3cccn3C)S2)c1 5374473 XJTUPMSSHHSWDD-XNTDXEJSSA-N 325.393 3.310 10 40 EGCB CC(=O)c1ccc(OC[C@H]2CN[C@H](c3ccc(N(C)C)cc3)O2)cc1 32722770 RYOFAHLLLJAPSX-UXHICEINSA-N 340.423 3.021 10 40 EGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(C)c3)C2=O)cc1 408988389 QQBCEKGKOVMZCZ-ATVHPVEESA-N 334.375 3.224 10 40 EGCB CN(C)c1ncccc1NC(=O)/C=C/c1ccc2c(c1)CCCN2C 61159239 HQCQLXFLLZXNTP-PKNBQFBNSA-N 336.439 3.182 10 40 EGCB CCOc1ccccc1/C=C1\SC(=S)N(CCCOC)C1=O 9189323 VHXUGDPEJBPYIP-KAMYIIQDSA-N 337.466 3.323 10 40 EGCB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CN1CCCCC1 33984343 ROCOZPUHMBWCOS-GXDHUFHOSA-N 336.457 3.470 10 40 EGCB COc1ccc(N2C(=O)/C(=C\C=C\c3ccccc3)C(=O)N=C2O)cc1 17028945 NSQLJPXCUUCLES-WIXUPIFPSA-N 348.358 3.122 10 40 EGCB O=C(O)CNc1ccc(Br)cc1C(=O)c1ccccc1 527544 BPKWLSBWDQONQA-UHFFFAOYSA-N 334.169 3.177 10 40 EGCB Cc1ccn2c(/C=C3/SC(NC4CCCC4)=NC3=O)cnc2c1 78876716 UZZYTYKWBRCYMY-NTEUORMPSA-N 326.425 3.145 10 40 EGCB Nc1ccc(Cn2cnc(-c3nc(-c4cccc(F)c4)no3)c2)cc1 21729842 CGWRDDDPKQGUBY-UHFFFAOYSA-N 335.342 3.370 10 40 EGCB CN(C)C(=O)c1ccc(/N=N/c2c(O)[nH]c3ccccc3c2=O)cc1 16990019 SPTQSDYRXKGNOC-QZQOTICOSA-N 336.351 3.351 10 40 EGCB CCOc1ccc(-c2nnc3n2N[C@@H](c2ccccc2O)S3)cc1 3843256 SFVQMJOLRKAVFG-MRXNPFEDSA-N 340.408 3.397 10 40 EGCB biogenic Cc1cccc(NCc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 216736933 WYONLYVXIPSSRJ-UHFFFAOYSA-N 327.384 3.352 10 40 EGCB O[C@]1(c2ccc(Cl)cc2)CN(c2ccccc2)C2=[N+]1CCS2 15962108 FMAWMBNOOLGQPY-KRWDZBQOSA-N 331.848 3.121 10 40 EGCB Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1cccc(F)c1 3177285 UTBJPZDCKFRMLI-UHFFFAOYSA-N 343.354 3.453 10 40 EGCB COc1ccc([C@H]2CC(c3cc(C)cc(C)c3O)=NN2)cc1OC 4368350 GUHKWSMMQFBTGA-OAHLLOKOSA-N 326.396 3.465 10 40 EGCB COc1ccc(C2(Br)C(=O)c3ccccc3C2=O)cc1 160458 RFAQNZSIJKSBNP-UHFFFAOYSA-N 331.165 3.365 10 40 EGCB COc1cc(CN2CCCCC2)c(O)c(CN2CCCCC2)c1OC 1712459 SMKHVKQDTPNYPZ-UHFFFAOYSA-N 348.487 3.381 10 40 EGCB CN(C)c1ccc(CN(Cc2nc(-c3ccccn3)no2)C2CC2)cc1 70009285 HFOQYZKNSAQCOS-UHFFFAOYSA-N 349.438 3.362 10 40 EGCB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)o2)SC1=S 8326891 IZDRRPFNECLQEI-FCKPEDISSA-N 339.438 3.289 10 40 EGCB COc1cc(/C=C2/SC(S)=NC2=O)c(Br)cc1O 2536833 JCDPWNPKKOXLAE-YCRREMRBSA-N 346.227 3.063 10 40 EGCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc(O)cc1 5372508 NNBPSFHADSQEAR-ZROIWOOFSA-N 340.360 3.173 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)Cn1c(=O)oc2cc(Cl)ccc21 12555544 VYUKZXSHWSXTHF-UHFFFAOYSA-N 345.830 3.403 10 40 EGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 1777268 OUUMKEDTJRCAKV-LCYFTJDESA-N 342.401 3.186 10 40 EGCB CCCn1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c2ccccc21 1315177 RMOMGVYULXTJLO-UKTHLTGXSA-N 327.409 3.148 10 40 EGCB C[C@H]1CN(c2ccc(CNC(=O)NC3CCCC3)cc2F)C[C@H](C)O1 56332463 WCZXFEODUQZFQP-KBPBESRZSA-N 349.450 3.181 10 40 EGCB COc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)cc1OC 4247918 BRJHFSUBEVXWDJ-KRWDZBQOSA-N 340.379 3.107 10 40 EGCB CC[C@@H]1Oc2cc([C@@H](C)NCc3cc(F)ccc3O)ccc2NC1=O 1615588191 YSUOEVFSOKFRSE-DIFFPNOSSA-N 344.386 3.492 10 40 EGCB CC[C@@H](C)Oc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 107823946 MWACASQZRLSBCA-VVTMIQRTSA-N 336.391 3.325 10 40 EGCB COc1ccc(N(C)Cc2nc(-c3ccsc3)no2)cc1OC 64517390 ZTTWLKYVMJOFMP-UHFFFAOYSA-N 331.397 3.452 10 40 EGCB CC1(C)[C@@H]2CC[C@]1(C(=O)Nc1ccccc1C(F)(F)F)C(=O)C2=O 100198375 XMIHXAYKKLPBME-QLJPJBMISA-N 339.313 3.218 10 40 EGCB CN1C(=O)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C(=O)N(C)C1=O 4811311 UCBALQAXTGTNRF-UHFFFAOYSA-N 344.754 3.034 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 4356973 HNQROABKCCEDEW-PRTRNZEUSA-N 337.422 3.290 10 40 EGCB CCc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 408913793 NWDGGIBQPFHABD-MHWRWJLKSA-N 338.338 3.055 10 40 EGCB COc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 1130290 UMHRKCXTSVVXOB-UVTDQMKNSA-N 328.418 3.496 10 40 EGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 966886 JKKCRRFBFGBHPL-JYRVWZFOSA-N 342.401 3.186 10 40 EGCB O=S(=O)(O)c1ccc(/N=N\c2c(O)nc3ccccc3c2O)cc1 104366637 QWPZKCFYQWWZCS-ZCXUNETKSA-N 345.336 3.308 10 40 EGCB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 4687770 ORIZEWLEDYPLOP-MLDYKZIASA-N 346.452 3.358 10 40 EGCB C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cccc2nsnc12 19103233 OLFUTLXPLFZLBQ-LLVKDONJSA-N 345.449 3.221 10 40 EGCB CN(C)[C@H](CC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)C(=O)O 101090827 FVMHJJLLSITNQV-MODMUFLJSA-N 340.383 3.445 10 40 EGCB COC(=O)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 1766336 YHMOIDAHMKYUSV-JYRVWZFOSA-N 335.450 3.184 10 40 EGCB COc1ccc2c(/C=C3\SC(=S)N(C)C3=O)c(C)n(C)c2c1 57434724 RBSYWVPXTQWMLD-ZSOIEALJSA-N 332.450 3.326 10 40 EGCB COCCCN1C(=O)/C(=C\c2ccc3c(c2)C[C@H](C)O3)SC1=S 2440183 IGAJOHDYEJNJIX-KBVGCWLLSA-N 349.477 3.248 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C1/C(=O)Nc2ccc(Cl)cc21 15016042 DTUQPQMESIFRFW-FOCLMDBBSA-N 337.766 3.468 10 40 EGCB CCOc1c(/N=N/c2ccc([N+](=O)[O-])cc2)c(C)nn1C(N)=S 17141900 AXPREUUZHKSUGF-FOCLMDBBSA-N 334.361 3.006 10 40 EGCB CN(C)c1ccc(CNC(=O)Nc2nnc(C(F)F)s2)cc1F 58644424 YIPPANDSJXXNGU-UHFFFAOYSA-N 345.350 3.003 10 40 EGCB CCn1c(=O)c(NCc2cccc(Cl)c2O)nc2ccccc21 1559300556 VXKTVKLXBJSRCK-UHFFFAOYSA-N 329.787 3.388 10 40 EGCB CN(C)c1ccc(/C=C2\SC(=S)N(CN3CCCC3)C2=O)cc1 33880506 LXDYSUBCLVUNFD-PTNGSMBKSA-N 347.509 3.007 10 40 EGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2[nH]nnc2c1 16498505 DLOZOGKIMJNQIB-UHFFFAOYSA-N 349.438 3.220 10 40 EGCB CCCOC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 4514833 YFJGPCNZGDDSPS-ZRDIBKRKSA-N 339.438 3.214 10 40 EGCB Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(N2CCOCC2)cc1 408781927 DCIPQHXIHFLPMX-BQYQJAHWSA-N 327.384 3.178 10 40 EGCB COCc1cc(C[C@@H]2C[C@H](NCc3ccccc3O)C2(C)C)no1 67889885 MDWMKJDAHSQXTO-KDOFPFPSSA-N 330.428 3.274 10 40 EGCB biogenic,in-vitro O=C1N=C(Nc2ccccn2)S/C1=C/C1=Cc2ccccc2OC1 13727316 RPVFJLVGNTVTIC-XNTDXEJSSA-N 335.388 3.483 10 40 EGCB Cc1ccsc1CNCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 54179226 MAPQVCALBZZBLP-MRXNPFEDSA-N 343.496 3.048 10 40 EGCB O=C1NC(=S)S/C1=C/c1ccc(-c2ccccc2C(=O)O)o1 970452 OTBNRWGTJUMXPA-KPKJPENVSA-N 331.374 3.134 10 40 EGCB COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)cc(OC)c1 7701151 XQACFQICAAMIAO-GDNBJRDFSA-N 332.425 3.160 10 40 EGCB CCc1cccc(C)c1-n1c(C)cc(/C=C2/NC(=S)NC2=O)c1C 408961616 TWSFXBYASILCNZ-MHWRWJLKSA-N 339.464 3.310 10 40 EGCB CC[C@H]1Oc2cc([C@@H](C)NCc3cccc(F)c3O)ccc2NC1=O 1615587602 NRMIOJAZHHDOMW-BDJLRTHQSA-N 344.386 3.492 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc2c(c1)OCCO2 101410331 IJRKBWXNBQGOET-FOWTUZBSSA-N 335.363 3.176 10 40 EGCB CN(C)c1ccc([C@H]2C=C(c3ccccc3O)Nc3ncnn32)cc1 111927277 PDJNYTSIKIXXPY-QGZVFWFLSA-N 333.395 3.106 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 5547573 RTQIHKNMLBAXSB-YIXGCBLDSA-N 327.452 3.203 10 40 EGCB CN(C)Cc1ccc(C(=O)NCCCSc2nccs2)cc1 71907638 CQWUPKRVWDUVHG-UHFFFAOYSA-N 335.498 3.117 10 40 EGCB COCc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ncn1 155919642 JAURCEDNDFADJA-UHFFFAOYSA-N 336.395 3.283 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Cn2cccn2)cc1 10432935 UTMSTYMDHIXMRO-UHFFFAOYSA-N 348.450 3.270 10 40 EGCB O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc2c(c1)OCO2 26779769 QHJCOLYLMPBKLP-MKMNVTDBSA-N 342.401 3.216 10 40 EGCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 408935511 HNSSAJVKHVJIPA-LFIBNONCSA-N 335.319 3.037 10 40 EGCB Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 40095645 OZTASHIADFHTFU-UHFFFAOYSA-N 328.372 3.291 10 40 EGCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1cccc(C(=O)O)c1 4117508 HUPZMPORJIMUGA-ZSOIEALJSA-N 342.376 3.116 10 40 EGCB CN(c1ccc(CNC(=O)c2cc[n+]([O-])cc2)cc1)C1CCCCC1 63698762 BMWWQCIVUUQGHY-UHFFFAOYSA-N 339.439 3.019 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)o2)SC1=S 7262945 RGWSJDWDLVIHQF-PAKSIRSJSA-N 325.411 3.043 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3cc(Cl)ccn3)CC2)cc1 69582040 CXFKINNSSLQDMR-UHFFFAOYSA-N 345.830 3.142 10 40 EGCB O=c1c(-c2ccccc2)coc2c(CN3CCCOC3)c(O)ccc12 32501393 LBJNOJQAAVSQMJ-UHFFFAOYSA-N 337.375 3.345 10 40 EGCB biogenic COC(=O)c1ccc(N2N=C(C)/C(=C/C=C/c3ccco3)C2=O)cc1 5657144 XBKUYJQTXYKVDT-CZMAMTTRSA-N 336.347 3.429 10 40 EGCB CCCN1C(=O)N/C(=C/c2ccc(N3CCCCC3)cc2F)C1=O 409235061 ADDOCZPSZOSZNG-LFIBNONCSA-N 331.391 3.119 10 40 EGCB Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2cccc(F)c2)C1=O 573847 UIONZSKNKGJARM-XYOKQWHBSA-N 346.408 3.027 10 40 EGCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccco2)n(C)n1 6527836 OVSDAXJKECGCDK-FOWTUZBSSA-N 332.363 3.156 10 40 EGCB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1cc(Cl)ccc1O)N2 30539550 SCEBSEYGUWITFN-INIZCTEOSA-N 348.786 3.259 10 40 EGCB CCOc1ncccc1C(=O)NCc1ccc(N2CCCC2)cc1 28332453 FUXIJZVJENHIPJ-UHFFFAOYSA-N 325.412 3.011 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 974447 TWRCCMVAWAFZFA-HQQGHWSLSA-N 339.413 3.280 10 40 EGCB CN(C)c1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1F 58731166 LRHFNKHNUDKDRT-UHFFFAOYSA-N 340.402 3.017 10 40 EGCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@H]3C[C@H]3C)c2C)cc1 2642873 OWDRZYOENKSCLB-PXAZEXFGSA-N 341.407 3.485 10 40 EGCB CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(NC(C)=O)c1 9157362 UUSXAYOSUORGTB-UHFFFAOYSA-N 339.439 3.373 10 40 EGCB O=C(Cc1ccccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 69737082 NJQCFYVSDINEAX-QGZVFWFLSA-N 343.398 3.282 10 40 EGCB COc1ccc(N2CCN(C(=O)CCc3ccc(F)cc3)CC2)cc1 60881237 GXJMWGHOFDCCGE-UHFFFAOYSA-N 342.414 3.116 10 40 EGCB O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1F 3351601 LLSCZXRGJQEGIV-UHFFFAOYSA-N 329.736 3.009 10 40 EGCB CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)cc1 409189273 OLBWPRMNLNLOOC-GZTJUZNOSA-N 339.395 3.015 10 40 EGCB Cc1ccccc1N1C[C@](O)(c2ccc(F)cc2)[N+]2=C1SCCC2 17136085 CCDSKCFWVDDEQJ-IBGZPJMESA-N 343.447 3.305 10 40 EGCB CCCC(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 3437436 PEGPQXWLDZCELP-UHFFFAOYSA-N 343.379 3.349 10 40 EGCB CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccco3)cc2)SC1=S 5170515 CBAFQPVCJDQMPM-UKTHLTGXSA-N 345.401 3.330 10 40 EGCB COc1cc([C@@H]2NN=C(c3ccccc3O)S2)cc(OC)c1OC 3132093 MKBMRLJKFDMLRW-MRXNPFEDSA-N 346.408 3.115 10 40 EGCB C[C@@H](Sc1nccs1)C(=O)Nc1ccc2c(c1)OCCCO2 52914376 KOSDQNGBDTYDRU-SNVBAGLBSA-N 336.438 3.424 10 40 EGCB CCc1ccc(-n2c(C)cc(/C=C3\NC(=S)NC3=O)c2C)cc1 13810130 LMFPXHZGEJPJRE-YBEGLDIGSA-N 325.437 3.002 10 40 EGCB CN1CCN(c2ccc(CNc3ccn(-c4ccccc4)n3)cc2)CC1 95459052 PHYCSCOGDLUCLS-UHFFFAOYSA-N 347.466 3.236 10 40 EGCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)NC1=S 409006762 LHORUXKVZQMSBL-BOPFTXTBSA-N 339.464 3.480 10 40 EGCB O=C(C[C@H]1C(=O)Nc2ccccc21)NCc1ccc(N2CCCC2)cc1 65514891 SDVGTYGDBOTQCP-GOSISDBHSA-N 349.434 3.029 10 40 EGCB COc1ccc(N2CCC(N(C)C(=O)CC[C@H]3CCCO3)CC2)cc1 79335666 RZISWBNXFJPRLN-LJQANCHMSA-N 346.471 3.082 10 40 EGCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)cc1 86786 QJQDAGSWOQCYLX-FMIVXFBMSA-N 344.729 3.146 10 40 EGCB Cc1ccc2oc(C(=O)NCc3ccc(N(C)C)cc3)cc(=O)c2c1 12534323 MJUHOYQBPCCKFP-UHFFFAOYSA-N 336.391 3.097 10 40 EGCB CN(Cc1ccccc1O)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 95983172 JWHBBXMPOSUMPM-AWEZNQCLSA-N 337.828 3.006 10 40 EGCB CCc1ncnc(NCc2ccc(N3CCSCC3)cc2)c1F 89280130 QURFSGVOFYAELU-UHFFFAOYSA-N 332.448 3.343 10 40 EGCB CN(C)c1ccc(CNC(=O)Cc2ccc(-n3cccc3)cc2)cc1 32246895 FTOMCOYSTYADGJ-UHFFFAOYSA-N 333.435 3.402 10 40 EGCB O=C1/C(=C\c2ccncc2)SC(=S)N1c1ccc2c(c1)OCO2 51366753 XETGANRTMYKHKP-VGOFMYFVSA-N 342.401 3.216 10 40 EGCB Cc1ccccc1-c1nnc2n1N=C(c1ccc(O)c(O)c1)CS2 533089 STOFVIDUHNVWMY-UHFFFAOYSA-N 338.392 3.023 10 40 EGCB Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=O)N(C(C)C)C1=O 981658 CRWFMXCGJIZPHN-WJDWOHSUSA-N 346.452 3.276 10 40 EGCB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Cl)c([N+](=O)[O-])c1 59489945 LAAKIPGWBKXJDT-UHFFFAOYSA-N 337.715 3.002 10 40 EGCB O=S(=O)(O)c1cc(Cl)cc(/N=N\c2ccc(O)cc2O)c1O 100325113 OTKYOGBGHUUFPC-PFONDFGASA-N 344.732 3.119 10 40 EGCB O=C(CC1CCCCC1)NCc1ccc(N2CCC(CO)CC2)cc1 40554395 SHIIXKXPUPIAAG-UHFFFAOYSA-N 344.499 3.482 10 40 EGCB Cc1cc(C(=O)COC(=O)C2(O)CCCC2)c(C)n1-c1ccccc1 58502134 WKDRVBCZRQXQBZ-UHFFFAOYSA-N 341.407 3.125 10 40 EGCB O=S(=O)(Nc1ccc(Cl)cc1F)c1cccc2nsnc12 14256168 USKJJUBQIVCFHL-UHFFFAOYSA-N 343.792 3.285 10 40 EGCB COc1ccc(C=C2SC(=S)N(CN3CCCCC3)C2=O)cc1 2049236291 IQBDSEFFRGVQTG-UHFFFAOYSA-N 348.493 3.340 10 40 EGCB Oc1c([C@@H](c2cccs2)N2CCOCC2)ccc2cccnc12 19790508 CLIPMRZXGYNMOU-KRWDZBQOSA-N 326.421 3.424 10 40 EGCB O=C1NC(=S)S/C1=C\C(Cl)=C\c1ccc([N+](=O)[O-])cc1 1093048 BDSAFOVDXBFDHY-UQZKWGPRSA-N 326.786 3.206 10 40 EGCB O=S(=O)(O)c1cccc(-c2c3ccccc3c[n+]3ccccc23)c1 1653689 GUBXVFSJIRDSCS-UHFFFAOYSA-O 336.392 3.492 10 40 EGCB CC(=O)c1ccc(-c2ccc(C=C3C(=O)OC(C)(C)OC3=O)o2)cc1 6822828 LUWCXKZGJMVAGQ-UHFFFAOYSA-N 340.331 3.369 10 40 EGCB COc1ccc(N2CCN(C(=O)Cc3ccc(C)cc3C)CC2)cc1 225786979 WWNYIUBTHPXJHW-UHFFFAOYSA-N 338.451 3.203 10 40 EGCB CCCC1=NN2C(=N)/C(=C/c3ccc(OC)cc3)C(=O)N=C2S1 4664742 OTBPPLDSNQDHQS-VOBDGNOHSA-N 328.397 3.114 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/C=C\c3ccccc3)C2=O)cc1 6798366 AQISBYLINCAQFN-NPFCYVKHSA-N 332.359 3.218 10 40 EGCB Cc1cc(C)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 10906996 ZIJAAHGPHKNDBW-UHFFFAOYSA-N 338.451 3.412 10 40 EGCB CSc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 4673223 LZGAVGQNIRPFCH-FLIBITNWSA-N 339.463 3.084 10 40 EGCB COc1ccccc1N[C@H]1SC(=S)N(c2ccccc2)C1=O 4598785 QIUDXBWKAKGLJH-AWEZNQCLSA-N 330.434 3.498 10 40 EGCB CN1C(=O)/C(=C/c2ccc(C(=O)OC(C)(C)C)cc2)SC1=S 5374672 QPICNEGALMUSLO-XFXZXTDPSA-N 335.450 3.473 10 40 EGCB COc1ccc(N(CCC(N)=O)Cc2nc3ccccc3s2)cc1 22012732 ZMGAFXMLFFCZFC-UHFFFAOYSA-N 341.436 3.187 10 40 EGCB CCOCc1cc(CNC[C@H]2CCCn3ccnc32)ccc1OC 84802763 GVKXNSQXWJOQEJ-MRXNPFEDSA-N 329.444 3.095 10 40 EGCB Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@@H](C)[C@H](O)C2)c1C 95459356 JXTRXGAGWWLPOO-AUUYWEPGSA-N 326.440 3.245 10 40 EGCB COc1ccc(NC(=S)NCCN(C)c2ccccc2)c(OC)c1 225570499 GNRGYPRDLIDYOP-UHFFFAOYSA-N 345.468 3.127 10 40 EGCB CCCCC(=O)NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S 5552725 IQASJUCXFWXOGF-RZYXTZOYSA-N 336.438 3.258 10 40 EGCB O=C1NC(c2c[nH]c3ccccc23)=C/C1=C1\C(=O)Nc2ccccc21 104875513 OJUJNNKCVPCATE-QGOAFFKASA-N 327.343 3.045 10 40 EGCB biogenic,in-vitro O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccn1 9183656 KHNQYXNFGHDJEK-UHFFFAOYSA-N 328.327 3.109 10 40 EGCB Cc1csc([C@@H](C)NC(=O)NCCCSc2nccs2)n1 89705317 TYQZEINOJXWQOV-SNVBAGLBSA-N 342.515 3.451 10 40 EGCB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccccc1 214053272 SXWVJVMLFLBRAY-OQLLNIDSSA-N 327.361 3.334 10 40 EGCB CCN(CC)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 13154848 LMKDNNMPFCUKBE-AQTBWJFISA-N 349.459 3.303 10 40 EGCB COc1ccc(NC2=NC(=O)/C(=C\c3ccco3)S2)c(OC)c1 5372705 VQHZNKYJRKBAAD-NTEUORMPSA-N 330.365 3.379 10 40 EGCB CCN1C(=O)/C(=C\c2cc3c(cc2Cl)OCO3)SC1=S 4482062 HFSTZIBNCNSJIS-NYYWCZLTSA-N 327.814 3.290 10 40 EGCB Cc1nc(C)c(C(=O)NCc2ccc(N3CCSCC3)cc2)s1 54035392 CTXQKTPBPJYUDH-UHFFFAOYSA-N 347.509 3.243 10 40 EGCB COc1ccc(N2CCCC2)c(NC(=O)COc2ccccc2)c1 4998665 DFXKVQWSDKQWIC-UHFFFAOYSA-N 326.396 3.313 10 40 EGCB COc1cccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)c1 1297015 CXLPNUHJHLZOIG-ZSOIEALJSA-N 328.418 3.496 10 40 EGCB O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccccc1 4471241 LRJOSLONWMZEPF-FMIVXFBMSA-N 346.458 3.294 10 40 EGCB CCOc1ccccc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O 13574906 ZUICYHSFKVTBBI-PTNGSMBKSA-N 342.782 3.200 10 40 EGCB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 2702110 YIWHPMRCTGCDDD-PAKSIRSJSA-N 341.479 3.449 10 40 EGCB COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1CN(C)C 8764276 OQSSEBVUBPPISU-UHFFFAOYSA-N 325.364 3.236 10 40 EGCB biogenic COc1ccccc1S(=O)(=O)Nc1ccc(O)c(C(F)(F)F)c1 75110495 OEVGRINZIDPJJR-UHFFFAOYSA-N 347.314 3.220 10 40 EGCB CC[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cc(Br)ccc1O 156412344 DIIGVRKNXXIVGU-ZKYQVNSYSA-N 326.234 3.132 10 40 EGCB Cc1nc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)oc1C 47558770 LHPLRHYHARQXNF-UHFFFAOYSA-N 333.457 3.108 10 40 EGCB CN(CCOc1ccc(Cl)cc1)Cc1cc2c(cc1O)OCO2 7981734 UNLNIVSFJXJYKX-UHFFFAOYSA-N 335.787 3.285 10 40 EGCB COc1ccc(N2CCCN(C(=O)c3sccc3C)CC2)cc1 55877453 LDLMDVSSIWXUAS-UHFFFAOYSA-N 330.453 3.418 10 40 EGCB O=C1NC(=S)S/C1=C\c1csc(COc2ccccc2)n1 60421410 CIIAQYPYMYQREE-WDZFZDKYSA-N 334.447 3.211 10 40 EGCB CC(C)c1nc2ccccc2n1C[C@H](O)COc1ccc(N)cc1 13565512 HCYHXGBAWQBQAY-HNNXBMFYSA-N 325.412 3.182 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)o2)SC1=S 7262866 RGWSJDWDLVIHQF-QBQSQJOESA-N 325.411 3.043 10 40 EGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)o2)SC1=S 6635776 AYBJANZMICZZHE-LCFDYFRESA-N 339.438 3.433 10 40 EGCB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(N(C)C)cc3)C2)cc1 58268744 ZGSIRPXWLSXNAX-FQEVSTJZSA-N 337.423 3.459 10 40 EGCB Cc1nc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)oc1C 95377555 JGIIVNGTOSPNLF-HNNXBMFYSA-N 345.399 3.210 10 40 EGCB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 4745664 OBXUPGFMBXWKFX-NGPGYTDTSA-N 325.411 3.124 10 40 EGCB CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccccc1Cl 390834439 YVTOETCZKZVYFK-UHFFFAOYSA-N 325.773 3.049 10 40 EGCB C[C@H](NC(=O)C1CCN(C)CC1)c1ccc(N2CCCCC2)cc1 216924252 CVLMQUMKCAXTFI-INIZCTEOSA-N 329.488 3.196 10 40 EGCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(Br)o1 87822 XBIFBPHYLBGVJC-UHFFFAOYSA-N 341.157 3.186 10 40 EGCB O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3ccccc3)[nH]c21 100480856 XDJIQPKRIDXXSP-UHFFFAOYSA-N 340.338 3.094 10 40 EGCB Cc1ccc(N2NC(=O)/C(=C/c3ccc(Cl)cc3)C2=O)cc1C 5618124 RJBYFTIAWIQRAR-YBEGLDIGSA-N 326.783 3.418 10 40 EGCB Cc1ncsc1/C=C1/CCn2c1nc1ccc([N+](=O)[O-])cc1c2=O 78693030 CUUTXEKONYJVHR-POHAHGRESA-N 340.364 3.014 10 40 EGCB COc1c(CNCc2ccc3c(c2)CCCN3C)c(C(C)C)nn1C 65474771 CSGGPANDOQSZPB-UHFFFAOYSA-N 342.487 3.224 10 40 EGCB CC(C)=CCc1cc2c(=O)c3c(O)ccc(O)c3oc2c(O)c1O 14763075 FPOOJYQXDQYQKU-UHFFFAOYSA-N 328.320 3.277 10 40 EGCB endogenous CCN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1F 78912065 XPKUJTXOOZBFTP-CVEARBPZSA-N 327.403 3.097 10 40 EGCB O=[N+]([O-])c1ccc(O)c(CNCCc2coc(-c3ccccc3)n2)c1 75128298 NSWJXUYYYSTPQZ-UHFFFAOYSA-N 339.351 3.288 10 40 EGCB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cccc2nonc12 14254986 HVMJARKHTABNTO-UHFFFAOYSA-N 344.179 3.330 10 40 EGCB COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 17180655 SHNFVEGLJQYKKS-XNTDXEJSSA-N 340.310 3.341 10 40 EGCB O=C1N=C(Nc2ccccn2)S/C1=C\c1cccc2nccnc12 256055882 XPOVPZHLDFGQRG-RAXLEYEMSA-N 333.376 3.107 10 40 EGCB CN(CC(=O)NC(C)(C)C)Cc1c(O)ccc2oc3c(c12)CCCC3 54441809 WBOGCAWPEBCFAM-UHFFFAOYSA-N 344.455 3.364 10 40 EGCB COc1cccc(-n2c(C)cc(C(=O)NCC(F)(F)F)c2C)c1 29974426 AEDMSXMGUPWJSP-UHFFFAOYSA-N 326.318 3.395 10 40 EGCB CC1(C)OC(=O)C(=CNc2nc(-c3cccs3)cs2)C(=O)O1 23127153 QNWITWKGSWIOGI-UHFFFAOYSA-N 336.394 3.004 10 40 EGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1[N+](=O)[O-] 101346697 NEMBDLSBQZACPI-UVTDQMKNSA-N 340.314 3.452 10 40 EGCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(C)cc1 14009132 JWYXVPFRNPQQMV-WQRHYEAKSA-N 348.402 3.263 10 40 EGCB Oc1c(Cl)cc(Cl)cc1CNC1CCC2(CC1)OCCO2 71792530 GSCITYOHUUYSBE-UHFFFAOYSA-N 332.227 3.474 10 40 EGCB COc1ccc(N2CCC(NC(=O)Cc3ccccc3C)CC2)cc1 69980354 PKCSDPPTMUIAJH-UHFFFAOYSA-N 338.451 3.331 10 40 EGCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1cccc(O)c1 408893343 MKUQZPOZHQPCRO-ATVHPVEESA-N 341.407 3.398 10 40 EGCB COc1cccc(C2=C[C@@H](c3ccc(N(C)C)cc3)N3NN=NC3=N2)c1 100572654 SPFCYRLNZYUMOX-SFHVURJKSA-N 348.410 3.400 10 40 EGCB C[C@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)o1 13036144 IDHAZNBHSYMWNT-LIUAHWHUSA-N 337.422 3.079 10 40 EGCB Nc1c(C(=O)Nc2cccc(N3CCCC3)c2)cc(F)cc1[N+](=O)[O-] 65791240 SDHMOXLVPARWMX-UHFFFAOYSA-N 344.346 3.169 10 40 EGCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCCOC(C)C 100422705 GJQWVNRPUUTQRP-LGMDPLHJSA-N 333.407 3.227 10 40 EGCB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/C=C/c1ccco1 459292 OMIVNLCQFHKAKV-PPRDQHCASA-N 342.738 3.156 10 40 EGCB CC1=NN(c2ccccc2)C(=O)[C@@H]1Sc1ccccc1[N+](=O)[O-] 18149181 FMUNRBGNDIUVJJ-OAHLLOKOSA-N 327.365 3.478 10 40 EGCB O=C(CN[C@H](CO)C1CC1)Nc1ccc(/N=N/c2ccccc2)cc1 95941344 XNUWWYNMUVWLLR-KGNHYALCSA-N 338.411 3.401 10 40 EGCB Nc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(N)cc3)cc2)cc1 72319790 CFTXGNJIXHFHTH-UHFFFAOYSA-N 348.358 3.289 10 40 EGCB CCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C 202497 SCVQDPXAMFBHQS-LICLKQGHSA-N 341.386 3.357 10 40 EGCB aggregator Cc1ccc(NC(=S)NCc2ccccn2)cc1N1CCCC1=O 225330635 OLMAPEACLFVENB-UHFFFAOYSA-N 340.452 3.003 10 40 EGCB Cc1nc(NC(=O)NCc2ccc(N3CCSCC3)cc2)oc1C 65802567 TUHYSVRRVROMAT-UHFFFAOYSA-N 346.456 3.166 10 40 EGCB COc1ccc(NC2=NC(=O)/C(=C/c3cccn3C)S2)c(OC)c1 35043203 WJULBHZBAAJUCL-DHDCSXOGSA-N 343.408 3.125 10 40 EGCB CCCN1C(=O)/C(=C/c2ccc(-n3ccnc3)cc2)SC1=S 96935943 DHSSUNSPNQJXRT-UVTDQMKNSA-N 329.450 3.484 10 40 EGCB O=C1C(=Cc2ccccc2O)SC(=S)N1CN1CCCCC1 2049250034 KULUXWLTWDVJLP-UHFFFAOYSA-N 334.466 3.037 10 40 EGCB Cc1ccc(-c2nnc3n2N=C(c2ccc(O)c(O)c2)CS3)cc1 424470 GOEXEEDCZWJIGP-UHFFFAOYSA-N 338.392 3.023 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4ccccc4[nH]3)C2=O)cc1 478367 OKVLARLGMKELSE-LFIBNONCSA-N 345.358 3.143 10 40 EGCB COc1ccc(N2CCCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)cc1 71835028 XFCUYSHTBIFYJM-ROUUACIJSA-N 340.423 3.131 10 40 EGCB Cc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccc(F)cc1 20815888 HCDOOJXIFKVWIX-OKILXGFUSA-N 330.403 3.483 10 40 EGCB COc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]3c3ccco3)CC2)cc1 78979581 YPPNAQPTRVZBML-MSOLQXFVSA-N 340.423 3.177 10 40 EGCB Cc1ccc([C@@]2(O)CN(c3ccccc3C)C3=[N+]2CCS3)cc1 15973952 RNJKCXKJZCORTR-IBGZPJMESA-N 325.457 3.084 10 40 EGCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 2702107 YIWHPMRCTGCDDD-QBQSQJOESA-N 341.479 3.449 10 40 EGCB COc1ccc(/C=C2/SC(N3CCC(C)CC3)=NC2=O)c(OC)c1 12417799 BDVVBTCSXHHDPD-MHWRWJLKSA-N 346.452 3.406 10 40 EGCB Cc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2SCCC3)cc1 3912320 COBRWQAILDJETR-LJQANCHMSA-N 325.457 3.166 10 40 EGCB CCOc1ccc2c(c1)C(=O)[C@H](c1cc(=O)c3ccccc3[nH]1)C2=O 4385452 FOSOQIPGTUDFMT-GOSISDBHSA-N 333.343 3.090 10 40 EGCB COc1ccccc1/C=C1/C(=O)N(c2ccccc2F)C(=O)N=C1O 13774106 URQKCKQDZPBOMW-ZRDIBKRKSA-N 340.310 3.341 10 40 EGCB CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 409405128 GMDZAMASHVFASI-UVTDQMKNSA-N 342.782 3.200 10 40 EGCB Fc1cc(Br)ccc1NC(=S)NCc1ccccn1 225329717 MQQVTXLPWPCSLU-UHFFFAOYSA-N 340.221 3.470 10 40 EGCB COc1ccc(N=NC(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 644163625 QEEFJGYSUOAAFS-OAHLLOKOSA-N 327.340 3.184 10 40 EGCB Cc1ccc(CN(CCCN2CCOCC2)Cc2ccccc2O)o1 19216439 XFAMPKQCLUYMND-UHFFFAOYSA-N 344.455 3.018 10 40 EGCB CCOc1ccc(/N=N\c2c(C)nn(C(N)=S)c2OCC)cc1 104237585 ZGOZAZQVDRVGEG-ZCXUNETKSA-N 333.417 3.496 10 40 EGCB O=C1/C(=C/c2ccc(O)c(O)c2)SC(=S)N1Cc1ccco1 5371242 DYMSKBAEOCREQH-QPEQYQDCSA-N 333.390 3.092 10 40 EGCB CCCCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 90447648 MLMFINZRYUHFSV-NBVRZTHBSA-N 336.391 3.327 10 40 EGCB COc1ccc(OC)c(/C=C2/SC(N3CCCCC3)=NC2=O)c1 83866 XPBDHMNZHQPGKH-RVDMUPIBSA-N 332.425 3.160 10 40 EGCB CN(Cc1ccc(N2CCCCC2)cc1)c1nnnn1-c1ccccc1 12554873 VHFMQGHGYFVCIW-UHFFFAOYSA-N 348.454 3.289 10 40 EGCB Cc1cc(C(=O)[C@H](C)Sc2n[nH]c(N)n2)c(C)n1-c1ccccc1 6606872 RBVVCHYYRIXLPA-LBPRGKRZSA-N 341.440 3.158 10 40 EGCB Cc1cc(C(=O)CSc2nnc[nH]2)c(C)n1-c1ccc(F)cc1 5620762 BNEBJTXYTAMTNA-UHFFFAOYSA-N 330.388 3.326 10 40 EGCB COc1ccccc1CN[C@@H](C)c1ccc(N2CCN(C)CC2)cc1 71825383 RMWPMKINGXTZBO-KRWDZBQOSA-N 339.483 3.298 10 40 EGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 409231581 LLVUNWJJFHAXDD-MHWRWJLKSA-N 338.411 3.100 10 40 EGCB CC[C@H]1Oc2cc([C@H](C)NCc3cc(F)ccc3O)ccc2NC1=O 1615588190 YSUOEVFSOKFRSE-APPDUMDISA-N 344.386 3.492 10 40 EGCB COc1ccccc1N1C(=O)/C(=C/c2ccncc2)SC1=S 8626345 KQWACWDMZMAVBC-UVTDQMKNSA-N 328.418 3.496 10 40 EGCB CC1=C[C@H](OC(C)(C)C)[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@@H]2C1 102529986 KQBFSZVDTUWIAF-SWHYSGLUSA-N 330.380 3.243 10 40 EGCB Cc1ccc(/C=C2\SC(=S)N(CCCCC(=O)O)C2=O)o1 12602753 QTNYSWBWSBYLNI-FLIBITNWSA-N 325.411 3.044 10 40 EGCB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C 9118094 XOQUWOHTOIGIOT-UHFFFAOYSA-N 327.428 3.172 10 40 EGCB Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)on1 71799913 RJYMVZFNCNRTRI-UHFFFAOYSA-N 341.333 3.254 10 40 EGCB Cc1cc(C(=O)CN2CCC(O)CC2)c(C)n1-c1ccc(Cl)cc1 26858666 ORYIJHQLVLSPRM-UHFFFAOYSA-N 346.858 3.387 10 40 EGCB Cc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c(C)c1 425723 IYINGRVFDAFAAB-FQEVSTJZSA-N 339.484 3.474 10 40 EGCB Cc1cc(NC(=O)C2CCN(Cc3cc(C)c(C)cc3O)CC2)no1 54359127 QRDBHJDJIKBUSC-UHFFFAOYSA-N 343.427 3.156 10 40 EGCB Cc1cccc(-n2c(C)cc(C(=O)N3CCC[C@@H](CO)C3)c2C)c1 84213248 JJJDBUUVRCGKQY-QGZVFWFLSA-N 326.440 3.247 10 40 EGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2cccnc2)S1 35648165 GSWAJJUQHQHUNE-VGOFMYFVSA-N 339.376 3.171 10 40 EGCB CCc1cccc2c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c[nH]c12 13942047 GBEPXLGIPYCENK-SDQBBNPISA-N 346.433 3.016 10 40 EGCB CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 83260026 YSDXCGJQQFJOED-MHWRWJLKSA-N 338.363 3.065 10 40 EGCB CN(C)c1ccc(Cn2nccc2NC(=O)c2ccc(C=O)cc2)cc1 66242196 WMUUIIHYHDGMFT-UHFFFAOYSA-N 348.406 3.062 10 40 EGCB COc1ccc(C2=C[C@@H](c3ccc(N(C)C)cc3)NC(=S)N2)cc1 5737824 YYGQWGPXSSMMTH-KRWDZBQOSA-N 339.464 3.321 10 40 EGCB O=C(CSc1nccs1)Nc1ccc(N2CCCCC2)nc1 77582876 OBANJMJDWUAMLK-UHFFFAOYSA-N 334.470 3.259 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cncn1-c1ccccc1 8012563 LZHYZMVMSJQXBS-UHFFFAOYSA-N 334.423 3.211 10 40 EGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC1CCCC1 100028564 NSMXHRUMUFVMFX-WJDWOHSUSA-N 328.372 3.124 10 40 EGCB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Oc1cccc(Cl)c1 97108731 ZAWXPWVFMYEOMI-RYUDHWBXSA-N 349.814 3.266 10 40 EGCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1c(O)ccc2ccccc12 27902646 BMWORLVHZYMOLL-SFQUDFHCSA-N 330.343 3.007 10 40 EGCB O=C1/C(=C\Nc2cccc(O)c2)SC(=S)N1Cc1ccco1 9422961 LSHHLHHDVSNKMZ-MDWZMJQESA-N 332.406 3.299 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(C)c2)SC1=S 5373454 NREKYQNWLAYJKD-VWLVURMCSA-N 335.450 3.450 10 40 EGCB COc1cc(CNc2ccc3c(c2)ncn3C)cc(OC)c1OC 423359 AUBWRJDXMORVEU-UHFFFAOYSA-N 327.384 3.211 10 40 EGCB CN(C)c1ccc([C@@H]2C=C(c3ccccc3O)Nc3ncnn32)cc1 111927274 PDJNYTSIKIXXPY-KRWDZBQOSA-N 333.395 3.106 10 40 EGCB C[C@@H]1c2ccsc2CCN1CC(=O)NCc1ccc(N(C)C)cc1 7255649 HXZBVUPUOPQJCF-CQSZACIVSA-N 343.496 3.050 10 40 EGCB Cc1cccc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)c1C 409125886 KQTWLEWFGZMMKM-MDWZMJQESA-N 342.445 3.196 10 40 EGCB COc1ccc(N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 73770756 VRVWXKBLPSBXIC-UHFFFAOYSA-N 337.345 3.436 10 40 EGCB CC(C)(C)N1C(=O)N=C(O)/C(=C\Nc2ccc3c(c2)CCC3)C1=O 102551630 OFSXNKZHCUGWAS-GXDHUFHOSA-N 327.384 3.188 10 40 EGCB Cc1ccc(N=Nc2c(N)nn(C(=O)c3ccccc3N)c2N)cc1 251266133 IUJCAOAQQYTIAT-UHFFFAOYSA-N 335.371 3.042 10 40 EGCB CCN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S 5201159 SAFMAIWKWKCBCB-UXBLZVDNSA-N 344.255 3.376 10 40 EGCB COc1cc(/C=C2/SC(Nc3cccc(O)c3)=NC2=O)ccc1O 12032387 FRTUBIYUXRFDKV-OVCLIPMQSA-N 342.376 3.189 10 40 EGCB CN(C)c1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1 8170893 PRKZRRUUNATHNJ-UHFFFAOYSA-N 347.256 3.374 10 40 EGCB CN(CC(=O)Nc1ccccc1Cl)Cc1cc([N+](=O)[O-])ccc1O 69488914 CBPPPUVSKAGEEE-UHFFFAOYSA-N 349.774 3.024 10 40 EGCB CC1=C[C@@H](OC(C)(C)C)[C@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@@H]2C1 17778791 KQBFSZVDTUWIAF-HONMWMINSA-N 330.380 3.243 10 40 EGCB COc1ccc(NN/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc1 5910717 JDMSKNXSBVXCPW-BOPFTXTBSA-N 340.358 3.057 10 40 EGCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccnc1 32116945 NXSOOTIZWZTXDO-ATVHPVEESA-N 334.375 3.349 10 40 EGCB Cc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2O)c2ccccc2n1 15558835 LLUHSNSFHNVBPM-UHFFFAOYSA-N 337.335 3.087 10 40 EGCB Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=S)NC2=O)o1 408821819 KKLRQPWWTFZYRX-QPEQYQDCSA-N 345.401 3.442 10 40 EGCB COc1ccc([C@H]2OCC[C@@H]2N[C@@H](C)c2cc(F)ccc2O)cn1 585090398 JCQIKWPIXCORTD-GEWABHDNSA-N 332.375 3.116 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 100422840 LYIPSGWKCLQBBU-UYRXBGFRSA-N 349.390 3.202 10 40 EGCB Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1cccc([N+](=O)[O-])c1 73237 CCMBZGMMXFEAIB-VGOFMYFVSA-N 326.312 3.023 10 40 EGCB Cc1cc(C)c(/N=N\c2cc(C)c(N)cc2N)c(S(=O)(=O)O)c1 17303056 GYAMFVSDGRPGCS-HNENSFHCSA-N 334.401 3.438 10 40 EGCB Cc1cc(O)c(CN2CCN(C(=O)c3cccs3)CC2)cc1C 27512447 FOEMPZDGKYRDQS-UHFFFAOYSA-N 330.453 3.029 10 40 EGCB c1cncc(-c2nnc3n2C[C@H](CSc2nccs2)S3)c1 95465695 XKADCGLMYXWUMR-SNVBAGLBSA-N 333.467 3.063 10 40 EGCB NC1=Nc2nc3ccccc3n2[C@@H](c2cc(Cl)cc(Cl)c2O)N1 18209503 SAMJRQNOFXVRHR-ZDUSSCGKSA-N 348.193 3.145 10 40 EGCB CCOc1ccc2c(c1)C(=O)[C@@H](c1cc(=O)c3ccccc3[nH]1)C2=O 4411959 FOSOQIPGTUDFMT-SFHVURJKSA-N 333.343 3.090 10 40 EGCB O=C(/C=C/c1ccncc1)N(Cc1ccccc1O)C[C@H]1CCCO1 95434337 UKKFJUORNIFKEG-LKGOPFMKSA-N 338.407 3.008 10 40 EGCB CN(Cc1ccc(C(N)=O)cc1)Cc1cc(C(C)(C)C)cc(O)c1O 29886914 HPZHWBCQBMIZGD-UHFFFAOYSA-N 342.439 3.126 10 40 EGCB CCc1nc(CNC2CCN(c3ccc(OC)cc3)CC2)cs1 71924584 ROFLJIMJUFBMED-UHFFFAOYSA-N 331.485 3.473 10 40 EGCB Cc1cc(CO)c(C)n1-c1cccc(I)c1 34772878 OZBWDGRQDAUTQU-UHFFFAOYSA-N 327.165 3.191 10 40 EGCB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/C=C/c1ccccc1 503897 RXXCIPADXRALFH-UYQSWCAZSA-N 336.322 3.048 10 40 EGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(F)cc1 108978563 JWGRXYCXXPQBHI-AQTBWJFISA-N 347.349 3.078 10 40 EGCB O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1 8974182 FPGWJDJJATWIGG-UHFFFAOYSA-N 345.358 3.279 10 40 EGCB biogenic CC1=NN(c2ccccc2)C(=O)[C@@H]1/N=N/c1cc([N+](=O)[O-])ccc1O 102572100 ZAIHMYMWUJGVFK-ZDBRSUKYSA-N 339.311 3.175 10 40 EGCB CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cccnc1 70037215 NENRAKPLIZISOL-UHFFFAOYSA-N 340.471 3.310 10 40 EGCB COc1cc(/C=C2\C(=O)N(c3nc4ccccc4[nH]3)N=C2C)ccc1O 6265781 NZHXHEIUGJLQGO-LCYFTJDESA-N 348.362 3.083 10 40 EGCB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1ccccc1 1013839 ZFFWPWYTIOOOAS-CQSZACIVSA-N 326.377 3.284 10 40 EGCB CC(C)(C)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1 7166737 CBRJJVMVLFDJFO-WQLSENKSSA-N 335.450 3.270 10 40 EGCB CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2F)N(C)C)cc1 5097706 VBZDMCFBHZCPCS-QGZVFWFLSA-N 347.409 3.064 10 40 EGCB Nc1c(Br)cc(Cl)c2c1C(=O)c1ccccc1C2=O 4712895 YNMAGTCGPDSNDZ-UHFFFAOYSA-N 336.572 3.460 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1COc2ccccc21 58577571 GLTUHULVROSXJM-KRWDZBQOSA-N 325.412 3.028 10 40 EGCB CC1CCN(c2ccc([C@H](C)NC(=O)C3CCN(C)CC3)cc2)CC1 216924174 BBAPFVKJVSSGNP-KRWDZBQOSA-N 343.515 3.442 10 40 EGCB CCN(C)c1ccc(CNC(=O)[C@H]2C[C@H]2c2cccnc2)cc1F 245344111 XPKUJTXOOZBFTP-HOTGVXAUSA-N 327.403 3.097 10 40 EGCB C[C@H]1CCc2ccccc2N1S(=O)(=O)c1cccc2nsnc12 19103235 OLFUTLXPLFZLBQ-NSHDSACASA-N 345.449 3.221 10 40 EGCB O=C1/C(=C\NCc2cccnc2)C(C(F)(F)F)=NN1c1ccccc1 100329270 KPJZFUCORFQXOD-KAMYIIQDSA-N 346.312 3.020 10 40 EGCB CN(C)c1ccc(CNC(=O)c2cn[nH]c2-c2cccs2)cc1 72329477 BSEBBPDSOZRELU-UHFFFAOYSA-N 326.425 3.134 10 40 EGCB COc1ccc2c(c1)c(/C=C1\SC(=S)N(C)C1=O)c(C)n2C 9420130 DUKSBSKODLWHEF-ZSOIEALJSA-N 332.450 3.326 10 40 EGCB COc1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 58417795 RIFPDVGAVIBOLB-HNNXBMFYSA-N 340.423 3.023 10 40 EGCB O=C(O)CCCN1C(=O)/C(=C/c2cc3ccccc3o2)SC1=S 96931589 XDZZIGXVPUTNTE-LCYFTJDESA-N 347.417 3.499 10 40 EGCB Cc1cc(C)cc(N2C(=O)/C(=C\c3ccc(C)o3)C(=O)NC2=S)c1 468985 KRXPJHPVRXKBTH-DHDCSXOGSA-N 340.404 3.036 10 40 EGCB Cn1cccc1/C=C1/SC(=S)N(CCc2ccccc2)C1=O 2422505 UXEXLNGTDHFMGX-NTCAYCPXSA-N 328.462 3.469 10 40 EGCB CN1CCN([C@@H](c2cccs2)c2ccc3cccnc3c2O)CC1 20507275 LZYJKFBBEIHIIQ-GOSISDBHSA-N 339.464 3.339 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc([N+](=O)[O-])ccc1O 13590198 XCNGWDFBCWBPSX-UVTDQMKNSA-N 338.323 3.019 10 40 EGCB CCc1ccc(/C=C2\SC(=S)N([C@H](CC)C(=O)O)C2=O)cc1 5373503 ANISMWCLRZYGLV-FNWMBBJUSA-N 335.450 3.313 10 40 EGCB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 5374176 NPVRDPNJMGANJX-PAKSIRSJSA-N 341.841 3.404 10 40 EGCB Cc1cc(CN(Cc2cc(C)on2)c2ccc3c(c2)CCO3)no1 31466301 NXMOZZFRGLDRGE-UHFFFAOYSA-N 325.368 3.421 10 40 EGCB COc1ccc([C@@H]2CC(c3ccc(OC)cc3O)=NN2C(C)=O)cc1 538855 HCJQIPFVSXHCST-SFHVURJKSA-N 340.379 3.107 10 40 EGCB CC(C)Cc1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)cs1 58734266 FKCQYGVFUZQDAC-UHFFFAOYSA-N 335.448 3.477 10 40 EGCB O=C1/C(=C\c2ccc[nH]2)SC(=S)N1c1ccc2c(c1)OCO2 27231358 IGGDAQHHDNBSHS-AWNIVKPZSA-N 330.390 3.149 10 40 EGCB COc1ccc(N2CCC(NCc3ccc([N+](=O)[O-])cc3)CC2)cc1 72283118 LGAZMJBVWFHYCC-UHFFFAOYSA-N 341.411 3.362 10 40 EGCB CNC(=O)c1cccc(CNCc2cc(Cl)cc(Cl)c2O)c1 96402779 GNEGGEVTFHOOBR-UHFFFAOYSA-N 339.222 3.348 10 40 EGCB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccco2)cc1 28231990 QBQPFRRCLXSJOJ-QGZVFWFLSA-N 328.412 3.167 10 40 EGCB COc1ccc(N2CCC(NC(=O)CSC(F)(F)F)CC2)cc1 69323313 WCCLIMVUTTXZFI-UHFFFAOYSA-N 348.390 3.033 10 40 EGCB CCCc1n[nH]c(=S)n1CC(=O)N(CCC)Cc1ccccc1O 69416884 ZMCFVEVLMVCSRY-UHFFFAOYSA-N 348.472 3.038 10 40 EGCB Cc1ccccc1-n1c(C)cc(C(=O)OCCN2CCOC2=O)c1C 96997799 GITMCLGLXWVZCY-UHFFFAOYSA-N 342.395 3.012 10 40 EGCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@@H]3CCCN(C)C3)cc2)CC1 216917706 MNYGSQGRBNXNKG-PKOBYXMFSA-N 343.515 3.442 10 40 EGCB CS(=O)(=O)N(Cc1ccc(N)cc1)c1ccc(C(F)(F)F)cc1 225403320 IVGUWQUFPQNBBF-UHFFFAOYSA-N 344.358 3.254 10 40 EGCB CCN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1F 245344112 XPKUJTXOOZBFTP-JKSUJKDBSA-N 327.403 3.097 10 40 EGCB COc1cc(/C=C2\SC(=S)N(C(C)C)C2=O)cc(OC)c1O 9188399 VCALOMUDJLMPOM-GHXNOFRVSA-N 339.438 3.019 10 40 EGCB CCOC(=O)c1ccc(NCc2ccc3c(c2)CCCN3C)nc1 58555573 WJRCASOZAMKQAB-UHFFFAOYSA-N 325.412 3.253 10 40 EGCB O=C(c1ccc(Cl)nc1)N(Cc1ccccc1O)C[C@H]1CCCO1 69653704 KDVSUOMHAFZJKK-OAHLLOKOSA-N 346.814 3.262 10 40 EGCB O=[N+]([O-])c1ccc(O)c(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 89782876 QDYJQBCDOKCQII-QZTJIDSGSA-N 346.358 3.449 10 40 EGCB Cc1cc(C(=O)N2CCCN3CCC[C@@H]3C2)c(C)n1-c1ccccc1 95392649 OEQNYSKMTROIMG-LJQANCHMSA-N 337.467 3.404 10 40 EGCB Cc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 14010790 NFWCCIXYFOLUBW-GDNBJRDFSA-N 340.766 3.315 10 40 EGCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\NC(=O)NC2=O)c1C 408812184 CJPNHRIUXBWMJC-AUWJEWJLSA-N 329.787 3.236 10 40 EGCB CC1=NN(C(=O)c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)cc1 17218430 KHDVRSANQYOYDA-YBEGLDIGSA-N 340.766 3.488 10 40 EGCB Nc1c(NCc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O 36559042 JDUOTGBRXCXJLM-UHFFFAOYSA-N 344.370 3.362 10 40 EGCB Cc1noc(C)c1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 8780437 RWGMISJZKZEMOK-UHFFFAOYSA-N 341.455 3.483 10 40 EGCB Oc1ccc(C2=Nn3c(nnc3C3CCCCC3)SC2)cc1O 531172 RJAXITSXBJJQSF-UHFFFAOYSA-N 330.413 3.095 10 40 EGCB CC1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccc(N(C)C)cc2)C1 39563641 PWLQBSICUPNNSI-SFHVURJKSA-N 343.452 3.264 10 40 EGCB O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1 342448 RUGYIKVYDGAVDT-ZROIWOOFSA-N 332.281 3.167 10 40 EGCB Oc1cc2c(cc1CN1CCN(Cc3ccccc3F)CC1)CCC2 22789318 DGOCTIHLWLTNGG-UHFFFAOYSA-N 340.442 3.338 10 40 EGCB CCn1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccco2)n1 6490319 YRDBUDOPCVSYMQ-DTQAZKPQSA-N 332.363 3.331 10 40 EGCB Cc1ccc(/N=N\c2c(N)nn(C(=O)c3ccccc3N)c2N)cc1 68602505 IUJCAOAQQYTIAT-DQRAZIAOSA-N 335.371 3.042 10 40 EGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccco2)S1 54164360 IPEVPLUMTRTIGZ-MDWZMJQESA-N 328.349 3.369 10 40 EGCB COc1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 10963370 MQYAFHPRQODJLB-UHFFFAOYSA-N 339.439 3.353 10 40 EGCB Oc1ccc(Cl)cc1[C@H]1C[C@H](c2ccc(F)cc2)n2nnnc2N1 6669660 IKFLIAGZJDIMMG-ZIAGYGMSSA-N 345.765 3.318 10 40 EGCB CC(C)N1CCCN(Cc2cc(Br)ccc2O)CC1 95453823 RFULOGCDIRMEQU-UHFFFAOYSA-N 327.266 3.071 10 40 EGCB COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 13122397 FKXZZMZLFWDHST-BOPFTXTBSA-N 336.391 3.054 10 40 EGCB COc1ccc(N2CCC(NCc3cnn(C(C)(C)C)c3)CC2)cc1 71924585 GIPATUGWOUCVER-UHFFFAOYSA-N 342.487 3.405 10 40 EGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1Cl 4703304 QCHPCQRNYZMDJA-UKTHLTGXSA-N 344.729 3.146 10 40 EGCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(C)o2)SC1=S 5373839 IZDRRPFNECLQEI-PGNPSOMDSA-N 339.438 3.289 10 40 EGCB CCc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2SCCC3)cc1 2684426 SQUKBJZMXNIGLC-FQEVSTJZSA-N 339.484 3.420 10 40 EGCB COc1cccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c1 12462290 FCIPHUGWENYKHB-DHDCSXOGSA-N 342.782 3.118 10 40 EGCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1cccs1 6132952 AHDHDPGWDOPSQO-NTMALXAHSA-N 348.836 3.233 10 40 EGCB Cc1ccc(/N=N/N(C)C)cc1NC(=O)NCC(=O)OC(C)(C)C 18205205 WAHCPDQLLUWZJA-FMQUCBEESA-N 335.408 3.019 10 40 EGCB Oc1ccc(Cl)cc1C1=NN[C@@H](c2ccc3c(c2)OCCO3)C1 1463794 YCFLNCCUABHORO-CYBMUJFWSA-N 330.771 3.256 10 40 EGCB biogenic Cc1noc(C)c1CN(C)C(=O)/C=C/c1ccc2c(c1)CCCN2C 61381513 UOFUMOKSRSANHW-CSKARUKUSA-N 339.439 3.346 10 40 EGCB CCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2O)SC1=S 3152417 UNSMONWJLBZONB-FLIBITNWSA-N 338.410 3.302 10 40 EGCB Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccco2)nn1C 6787239 XARRUDJFWYXUTO-FOWTUZBSSA-N 332.363 3.156 10 40 EGCB CC(C)N(C[C@@H](O)c1ccc(O)c(O)c1)C(=O)Nc1ccccc1 95445335 CKPVBTFCEBTTMJ-QGZVFWFLSA-N 330.384 3.074 10 40 EGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccco2)S1 2702296 IPEVPLUMTRTIGZ-JYRVWZFOSA-N 328.349 3.369 10 40 EGCB Cc1cccc(NC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097886 YOHOOUFGHMYWKJ-LJQANCHMSA-N 340.471 3.485 10 40 EGCB Cc1cc(C(=O)N(C)C[C@H]2CCCC[C@H]2O)c(C)n1-c1ccccn1 97233341 DWHNDKBTHMYWRB-SJLPKXTDSA-N 341.455 3.112 10 40 EGCB Cc1ccc(C)n1-c1ccc(C(=O)NCc2nnc3ccccn23)cc1 7735247 IILVXYHBFGXBIR-UHFFFAOYSA-N 345.406 3.067 10 40 EGCB C#CCn1cc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc21 5979382 FFNYYFJCRIHWCS-GDNBJRDFSA-N 326.446 3.496 10 40 EGCB Cc1cccc(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2SCCC3)c1 2966102 POKZFMGEFGVZBX-IBGZPJMESA-N 343.447 3.305 10 40 EGCB Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13670475 OFCWZZQQVHDNIX-DHZHZOJOSA-N 336.435 3.161 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccs3)C2=O)cc1C 4704475 BQJUXLKXOSSYIS-ZROIWOOFSA-N 326.377 3.031 10 40 EGCB Cc1cccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097778 QEKSLESZMKODPP-HXUWFJFHSA-N 339.483 3.023 10 40 EGCB CCOC(=O)[C@@H](/N=N/c1ccc(C)cc1Br)C(C)=O 104243211 TWURBUNOBXNZFQ-VVLLMFOMSA-N 327.178 3.362 10 40 EGCB COCCCN1C(=O)/C(=C/c2ccc3c(c2)C[C@H](C)O3)SC1=S 2440185 IGAJOHDYEJNJIX-SAIXKJTDSA-N 349.477 3.248 10 40 EGCB COc1cccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 13122745 MJQQBOXPZXZXCU-CKXDQPNJSA-N 335.450 3.075 10 40 EGCB CCCc1cc(=O)oc2c(CN[C@H](CC(C)C)C(=O)O)c(O)ccc12 4039855 IQZDVXSHBFSQBL-OAHLLOKOSA-N 347.411 3.040 10 40 EGCB biogenic CC[C@@H](C)Oc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409400956 WLJFUQYSGDIZLX-CPZHOGDASA-N 336.391 3.325 10 40 EGCB O=C(c1cccc2nn[nH]c12)N(Cc1ccco1)Cc1ccccc1O 188396765 FXTADMFIVKXSKF-UHFFFAOYSA-N 348.362 3.099 10 40 EGCB COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]3c3ccco3)CC2)cc1 78979580 YPPNAQPTRVZBML-QZTJIDSGSA-N 340.423 3.177 10 40 EGCB CCOc1cccc(CN[C@@H](c2ccccc2)c2nc(C)n[nH]2)c1O 69168836 IMJLYAXRMNVTBG-KRWDZBQOSA-N 338.411 3.097 10 40 EGCB Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C 4183334 NRVIMSKJZVVRFD-SXGWCWSVSA-N 343.814 3.388 10 40 EGCB aggregator O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1ccc(O)cc1 109597687 NNBPSFHADSQEAR-NTEUORMPSA-N 340.360 3.173 10 40 EGCB CCOc1cccc(/C=C2\SC(=S)NC2=O)c1OC(F)F 7155230 AFMDDRNNLISKGZ-TWGQIWQCSA-N 331.365 3.176 10 40 EGCB O=C1NN=C(c2ccccc2)/C1=C\NCc1cccc(C(F)(F)F)c1 100407838 QQLVFJOCZYBHSS-RVDMUPIBSA-N 345.324 3.213 10 40 EGCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 13039782 YIRWECYWRIVZMF-LFIBNONCSA-N 334.375 3.278 10 40 EGCB Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1Cc1ccccc1 408917699 AEKIEQHYWCKPDA-GZTJUZNOSA-N 331.375 3.178 10 40 EGCB CC(=O)Oc1c2c(c(C)c3ccccc13)C(=O)c1cccnc1C2=O 1584450 TVKKETROZKKKBA-UHFFFAOYSA-N 331.327 3.244 10 40 EGCB COc1ccc(C(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1 9188030 JJSODPISRYDYOW-UHFFFAOYSA-N 342.464 3.202 10 40 EGCB CCc1ccc(N2C(=O)/C(=C/c3ccsc3)C(=O)NC2=S)cc1 409377724 JFOAWCQIECDBNH-NTEUORMPSA-N 342.445 3.142 10 40 EGCB CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(N)cc2)C(F)(F)C1 504823581 ANHQHKVJIALXKL-ZDUSSCGKSA-N 328.359 3.292 10 40 EGCB CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cc([N+](=O)[O-])ccc1O 4248213 WUJQCBQAKUHWKM-CYBMUJFWSA-N 345.380 3.450 10 40 EGCB COc1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1 437394 BUESECBBBYRGKQ-UHFFFAOYSA-N 329.377 3.355 10 40 EGCB aggregator CN(C)c1ccc(CNC(=O)c2cc(-c3ccccc3F)on2)cc1 30018785 HFPOPZVTXUYGFZ-UHFFFAOYSA-N 339.370 3.477 10 40 EGCB CN1CCc2cc([C@@H](CNC(=O)c3ccccc3)N3CCCC3)ccc21 8963381 PUOQYLCKVNYDPY-OAQYLSRUSA-N 349.478 3.246 10 40 EGCB CN(Cc1ccccc1O)C(=O)Cc1csc(-c2ccco2)n1 53915778 DDXCAQAVKWLVRO-UHFFFAOYSA-N 328.393 3.310 10 40 EGCB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(C(=O)O)cc1 96669684 UGRQQQOUUPOAHQ-GXDHUFHOSA-N 330.409 3.277 10 40 EGCB CCCN/C=C1\C(=O)N(c2ccc(Br)cc2C)N=C1C 408533594 TUPJWGDTQXDZTI-LCYFTJDESA-N 336.233 3.364 10 40 EGCB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(N(C)C)cc1 199416346 ALSCXVYFMMXENP-HXUWFJFHSA-N 338.451 3.243 10 40 EGCB CCc1cc2c(=O)c(-c3cscn3)coc2c(CN(C)C)c1O 190563 VOSFZMWFMWDBLW-UHFFFAOYSA-N 330.409 3.246 10 40 EGCB CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)OCCO3)cc1 225406823 FDYAPGCXEFXNFZ-UHFFFAOYSA-N 340.423 3.234 10 40 EGCB CN(C)c1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 5261063 GUSYCRWSCFVBNL-DGXIYAMASA-N 347.462 3.390 10 40 EGCB COc1ccc(N2CCN(C[C@@H](O)c3cccc(Cl)c3)CC2)cc1 25571726 FQSUPHIWRQXYKD-LJQANCHMSA-N 346.858 3.204 10 40 EGCB COc1cc(O)c(CN2CCO[C@H](c3ccc(F)cc3)C2)cc1OC 89420869 UYSZNKKWKWHEGP-IBGZPJMESA-N 347.386 3.122 10 40 EGCB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)c(O)c3)S2)cc1 35644347 NECVQCNYCJSPTK-OQLLNIDSSA-N 342.376 3.189 10 40 EGCB Cc1ccc2[nH]c3c(=O)n(Cc4ccc(N(C)C)cc4)cnc3c2c1 502259 IKJYAEZSBYSMHH-UHFFFAOYSA-N 332.407 3.301 10 40 EGCB O=C1c2ccccc2C(=O)C1c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] 100369741 KJROUZXTDXCSIY-UHFFFAOYSA-N 346.682 3.319 10 40 EGCB COc1cccc([C@@H](c2cc3c(cc2O)OCO3)N2CCCC2)c1O 5275072 NLLNFZUAVSJIDB-SFHVURJKSA-N 343.379 3.020 10 40 EGCB Nc1ccc(Cc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 100400745 SXKBQLZMICXHNV-FVCZOJIISA-N 344.414 3.171 10 40 EGCB Oc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccccc2)c[nH]1 67898628 UGMNLNFQLPIRRU-SFHVURJKSA-N 335.407 3.356 10 40 EGCB biogenic,in-vitro Cc1ccccc1N1C[C@@](O)(c2ccc(F)cc2)[N+]2=C1SCCC2 17136086 CCDSKCFWVDDEQJ-LJQANCHMSA-N 343.447 3.305 10 40 EGCB Cc1c(CN(C)C)c2c(n1C)C(=O)c1ccc(Br)cc1-2 379038 OYLCUBJGWXJMOR-UHFFFAOYSA-N 333.229 3.369 10 40 EGCB NC(=O)c1cccc(CN(Cc2ccco2)Cc2ccccc2O)c1 95394535 VYBRFNFCLSLTGC-UHFFFAOYSA-N 336.391 3.287 10 40 EGCB Cc1ccoc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 55530264 CDXRKNBXXRLVQL-KBPBESRZSA-N 346.402 3.271 10 40 EGCB O=C(O)Cc1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 4291529 IATKXWWJIQWKSQ-UKTHLTGXSA-N 345.401 3.313 10 40 EGCB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 5374175 NPVRDPNJMGANJX-QBQSQJOESA-N 341.841 3.404 10 40 EGCB COc1ccc(OC)c(/C=C2/SC(N3CCC(C)CC3)=NC2=O)c1 15218162 PHHOZHRVGYRKRA-LFIBNONCSA-N 346.452 3.406 10 40 EGCB O=[N+]([O-])c1cc(CN2CCc3ccccc3C2)c(O)c2ncccc12 210229 JYBGCXBKDUHTCE-UHFFFAOYSA-N 335.363 3.407 10 40 EGCB O=C1N=C(Nc2ccccn2)S/C1=C\C1=Cc2ccccc2OC1 54361087 RPVFJLVGNTVTIC-GDNBJRDFSA-N 335.388 3.483 10 40 EGCB Cn1ncc2c(N3CC=C(c4c[nH]c5ccccc45)CC3)ncnc21 14300492 PPLJYBMHJZENCB-UHFFFAOYSA-N 330.395 3.138 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cl)c2c(c1)OCO2 23744785 IMHDJMUORNQILV-UHFFFAOYSA-N 346.814 3.407 10 40 EGCB COc1cccc(-n2c(C)cc(C(=O)CSc3nnc[nH]3)c2C)c1 10007824 FCQYQEUARBQPDB-UHFFFAOYSA-N 342.424 3.196 10 40 EGCB COc1ccc(-c2cnc(NCc3cccc(OC)c3O)n2C)cc1 9805809 YJWLTOLQGGFSJZ-UHFFFAOYSA-N 339.395 3.422 10 40 EGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccco3)S2)cc1 5372696 WGJOBNKHBWFUGB-NTEUORMPSA-N 327.365 3.320 10 40 EGCB COC(=O)c1ccc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)cc1 35040265 NAXOMNUEFOKXMY-FMIVXFBMSA-N 335.450 3.473 10 40 EGCB COc1cc(Br)cc([C@H]2NC(=O)c3ccccc3N2)c1O 9512483 GEDBBJZPJIIATO-CQSZACIVSA-N 349.184 3.017 10 40 EGCB COc1ccc(N2CCC(NC(=O)Cc3ccc(C)cc3)CC2)cc1 69737617 LXDUKPULYJYFFH-UHFFFAOYSA-N 338.451 3.331 10 40 EGCB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cccc(Cl)c1Cl 1098395 VALDXVMPVIXIES-YFHOEESVSA-N 326.179 3.296 10 40 EGCB Cc1ccc(N2C(=O)/C(=C/c3sccc3C)C(=O)NC2=S)cc1 409000983 OGKDBGTUKWFGLP-UKTHLTGXSA-N 342.445 3.196 10 40 EGCB CCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)SC1=S 96662758 CURBVPYXOFERRD-POHAHGRESA-N 329.830 3.275 10 40 EGCB CCCCOCc1cc(CN2CCN(C)CC2)c(O)c2ncccc12 19364705 SOALJBSEAGNYKO-UHFFFAOYSA-N 343.471 3.005 10 40 EGCB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1Cl 6258422 QCHPCQRNYZMDJA-LCYFTJDESA-N 344.729 3.146 10 40 EGCB CCC[C@H](C(=O)O)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 27533566 HNQROABKCCEDEW-HUUBOGDPSA-N 337.422 3.290 10 40 EGCB CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@@H]1C(=O)OCc1ccccc1 34383010 NNBVAZYHYUBQCU-ZIAGYGMSSA-N 346.387 3.418 10 40 EGCB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc(C)c1 14414310 BNSUCUCPDHYUDR-WQRHYEAKSA-N 348.402 3.263 10 40 EGCB COc1ccccc1-c1cc(C(=O)N(C)Cc2ccccc2O)no1 53916157 RMMKJZSQQQCONQ-UHFFFAOYSA-N 338.363 3.328 10 40 EGCB CCCC12CN3CC(CCC)(CN(C1)C3c1ccccc1O)C2=O 19323933 COWVOJYLTQZKSB-UHFFFAOYSA-N 328.456 3.178 10 40 EGCB O=C1c2ccccc2N[C@H](c2ccc(O)c(O)c2)N1CC(F)(F)F 7113305 IROBBSVJNCMEOE-AWEZNQCLSA-N 338.285 3.227 10 40 EGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)o2)SC1=S 6635879 AYBJANZMICZZHE-HQQGHWSLSA-N 339.438 3.433 10 40 EGCB CN1C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 3418959 SNLSECHWCVRZKP-GHRIWEEISA-N 337.448 3.357 10 40 EGCB Cc1nc(CN[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)cs1 71825377 MPRAQSUUAASIKQ-AWEZNQCLSA-N 330.501 3.054 10 40 EGCB CC[C@@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccccc1O 71898374 DSYCMCSZZGGBSF-MRXNPFEDSA-N 349.390 3.146 10 40 EGCB CN1C(=O)/C(=C/c2cc(Br)ccc2F)SC1=S 96930753 FFTIJZFIEIFBCC-UITAMQMPSA-N 332.219 3.419 10 40 EGCB O=C1CCCN1C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 54175652 VBFQZPPAOBFZDR-LJQANCHMSA-N 336.435 3.075 10 40 EGCB COc1cc2c(cc1OC)[C@H](C)N(CCc1ccc(N)cc1)CC2 1854204 KUYSNZZXTMKUTK-AWEZNQCLSA-N 326.440 3.448 10 40 EGCB in-man O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc[nH]3)SC2=S)c1 5374645 OXASDSGYGOWCMI-WQLSENKSSA-N 330.390 3.119 10 40 EGCB Cc1ccc([C@@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1 239738 YJILHKICIZMOQN-FQEVSTJZSA-N 339.484 3.161 10 40 EGCB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C)c(C)c3)C2=O)c1 5589444 BXYLZUKVOQBTOF-BOPFTXTBSA-N 349.390 3.191 10 40 EGCB COc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1C 409080101 HUKPGFXRLRFKOB-GRRFOWRYSA-N 349.477 3.384 10 40 EGCB O=C1c2ccccc2N[C@H](c2cc(O)c(O)c(Cl)c2)N1C1CC1 7364412 XEERWWMTHDIXGX-INIZCTEOSA-N 330.771 3.480 10 40 EGCB CCn1cc(/C=C2\C(=O)N(C3CC3)C(=S)N=C2O)c2ccccc21 33323694 LSZHJNPLNWYYMK-ZROIWOOFSA-N 339.420 3.291 10 40 EGCB CC[C@@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccccc1O 156764351 ROCXAIJDYGTRRQ-HBFSDRIKSA-N 332.488 3.201 10 40 EGCB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccco1 120574 KNKOFJLWECLZIL-WJDWOHSUSA-N 339.347 3.165 10 40 EGCB COc1cc(/C=C2\SC=NC2=O)ccc1OC(=O)c1ccco1 409056634 HOWFKFLYFLCSDD-ZSOIEALJSA-N 329.333 3.150 10 40 EGCB COc1ncccc1NC(=S)NCc1ccc(N2CCCC2)cc1 223951405 VQSXAFGPNBXJMQ-UHFFFAOYSA-N 342.468 3.177 10 40 EGCB CC(C)Oc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N=C1O 75286861 NJDCVRPJXYJBTM-UHFFFAOYSA-N 340.404 3.382 10 40 EGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1nncs1 40525241 MKDDQQBIDJUWDS-UHFFFAOYSA-N 331.445 3.192 10 40 EGCB CN1CCN(C2=NC(=O)/C(=C\c3cccc4ccccc34)S2)CC1 12949997 NZLUBIVPXNNPMX-GHRIWEEISA-N 337.448 3.058 10 40 EGCB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3C)C2=O)cc1 408990387 XJKSCJCQEJEHKB-ATVHPVEESA-N 334.375 3.224 10 40 EGCB CN1CCc2cc([C@H](CNC(=O)c3ccccc3)N3CCCC3)ccc21 8963382 PUOQYLCKVNYDPY-NRFANRHFSA-N 349.478 3.246 10 40 EGCB Cn1cc(/C=C/C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cn1 24470686 YTJBQPRXFXYQIP-QPJJXVBHSA-N 335.329 3.432 10 40 EGCB CN(C)c1ccc(CNn2c(-c3ccccc3)n[nH]c2=S)cc1 7365395 WLVJWBHANKLVRF-UHFFFAOYSA-N 325.441 3.417 10 40 EGCB CC1=NN(C(=O)c2ccncc2)C(=O)[C@H]1/N=N\c1ccc(Cl)cc1 104204097 PVWSZUQCZGCZPJ-SXZOAGKDSA-N 341.758 3.246 10 40 EGCB COc1cccc(-n2c(C)cc(C(=O)NC3CCOCC3)c2C)c1 64997946 UXTGPQRFKCJDMC-UHFFFAOYSA-N 328.412 3.012 10 40 EGCB Cc1nn(C)cc1/C=C1/C(=O)N(c2ccccc2)N=C1c1ccco1 6527149 WGNJKILRDUXFMG-LFIBNONCSA-N 332.363 3.156 10 40 EGCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)o1 409245789 ZDGJQNCXWOYWMW-XYOKQWHBSA-N 344.754 3.216 10 40 EGCB Cc1ccc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 12556333 HRBKGJWRJNBVBI-MDZDMXLPSA-N 340.423 3.096 10 40 EGCB C[C@H](CC(=O)NCc1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 58152224 SKOJIQQLNUEKDT-LLVKDONJSA-N 332.331 3.250 10 40 EGCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(O)cc1 408892282 HVIKBQWQRUZFKE-YBEGLDIGSA-N 329.396 3.111 10 40 EGCB O=C(CS(=O)(=O)c1ccccc1)c1sc2ccccc2c1O 9614849 RVDJUAONJMIERH-UHFFFAOYSA-N 332.402 3.264 10 40 EGCB CCCc1cc(=O)oc2c(CN[C@@H](CC(C)C)C(=O)O)c(O)ccc12 4039854 IQZDVXSHBFSQBL-HNNXBMFYSA-N 347.411 3.040 10 40 EGCB biogenic O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/C=C/c1ccccc1 408913156 SUOJNYSZFPNYQY-MBXCTOFRSA-N 336.322 3.048 10 40 EGCB Cc1cccc(-n2c(C)cc(C(=O)OCC(=O)N(C)C(C)C)c2C)c1 49581215 VMJIYRGYHDSKHS-UHFFFAOYSA-N 342.439 3.426 10 40 EGCB Cc1cc(C)cc(-n2c(C)cc(C(=O)CN3C(=O)CCC3=O)c2C)c1 5710380 INYZXHOZIDWRER-UHFFFAOYSA-N 338.407 3.043 10 40 EGCB O=C(CN(Cc1ccccc1O)C1CCCC1)NCc1ccco1 69659637 XEQIMFCHXAAAFD-UHFFFAOYSA-N 328.412 3.046 10 40 EGCB COc1ccc(N2CCC(N(C)C(=O)CC[C@@H]3CCCO3)CC2)cc1 79335665 RZISWBNXFJPRLN-IBGZPJMESA-N 346.471 3.082 10 40 EGCB Cc1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1 223949719 DQOVWYMJTZMMHX-UHFFFAOYSA-N 326.469 3.477 10 40 EGCB O=C1c2ccccc2C(=O)C1(O)c1cc(-c2ccccc2)ccc1O 57339820 TZQMEXGQZOKFHK-UHFFFAOYSA-N 330.339 3.326 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 13286596 WUZHJIFMODEWKI-HKWRFOASSA-N 347.418 3.329 10 40 EGCB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 435988 YPBYPPFDNRJIMT-MDWZMJQESA-N 333.174 3.455 10 40 EGCB O=C(CSCc1cccnc1)NCc1ccc(N2CCCC2)cc1 53485574 KVZGNCUMXQLFEN-UHFFFAOYSA-N 341.480 3.231 10 40 EGCB CC[C@H](C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C 4696484 DOJZXJCNYBCWAA-SAIXKJTDSA-N 344.367 3.066 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 69705102 QFPMXZJSRQDXHN-UHFFFAOYSA-N 328.387 3.233 10 40 EGCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccc(O)c1 13540990 NUFKCEBGECCOBV-AUWJEWJLSA-N 330.434 3.289 10 40 EGCB COc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1 13600982 GYWPUBYIINRTFX-DHDCSXOGSA-N 342.782 3.118 10 40 EGCB CCOC(=O)N[C@H]1CCCN(Cc2c(O)ccc3ccccc23)C1 54517774 IJDHIDVJTOPENY-HNNXBMFYSA-N 328.412 3.256 10 40 EGCB Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(N2CCOCC2)cc1 56199581 IUOIDWMSEJMIFI-UHFFFAOYSA-N 349.434 3.243 10 40 EGCB O=C(CSc1nccs1)Nc1ccc([N+](=O)[O-])cc1Cl 48874174 XRDUQUZVYFYRAJ-UHFFFAOYSA-N 329.790 3.436 10 40 EGCB COc1cccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)c1 2227410 YPBZASHWIZOPBB-ZROIWOOFSA-N 328.418 3.496 10 40 EGCB Cc1cn2nc(N[C@@H](C)c3ccc(N4CCOCC4)cc3)sc2n1 71831031 JRYZQYJNKHTASM-ZDUSSCGKSA-N 343.456 3.109 10 40 EGCB COc1ccccc1-n1c(C)cc(C(=O)NCC2CCOCC2)c1C 95473546 HLDCSPUHXDYWTG-UHFFFAOYSA-N 342.439 3.259 10 40 EGCB CCN(CC)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=N)cc1 16678474 BUYXRUDPPZWLON-MIDVZBRJSA-N 344.484 3.286 10 40 EGCB CCCCOC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 5124174 YIHBJFITJKULLW-ZRDIBKRKSA-N 339.438 3.214 10 40 EGCB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1ccccc1 21871348 CKSVAFUBFCDDPJ-UHFFFAOYSA-N 332.469 3.105 10 40 EGCB COc1ccc(N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 386879 CZYHFMIHQFUQQO-UHFFFAOYSA-N 325.412 3.358 10 40 EGCB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214180 VHZQMSBUAIRHQU-LJQANCHMSA-N 349.434 3.358 10 40 EGCB Nc1ccc(NC(=O)c2ccc(I)cc2)cc1 20480357 IOGWNUSVDSGYCU-UHFFFAOYSA-N 338.148 3.126 10 40 EGCB Cc1cccc(N2C(=O)/C(=C/c3sccc3C)C(=O)NC2=S)c1 409000949 OBARPEANESDOSD-UKTHLTGXSA-N 342.445 3.196 10 40 EGCB COC(=O)[C@H](C)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 1276901 HHLUIOLYUTVOBV-CLUBXZQOSA-N 341.841 3.103 10 40 EGCB Cc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 4657462 JCDCQDDVTURYMW-DIQJHTJGSA-N 347.403 3.057 10 40 EGCB CC(C)(C)n1cc(NC(=O)NCCCSc2nccs2)cn1 95446335 OQTJOFWRSLNHRW-UHFFFAOYSA-N 339.490 3.399 10 40 EGCB COc1cccc([C@H](c2cc3c(cc2O)OCO3)N2CCCC2)c1O 5275073 NLLNFZUAVSJIDB-GOSISDBHSA-N 343.379 3.020 10 40 EGCB Cc1cccc(NC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 5097885 YOHOOUFGHMYWKJ-IBGZPJMESA-N 340.471 3.485 10 40 EGCB COc1ccc(Cl)cc1NC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C 1805598 FYHCKNAQYIYBKZ-MSOLQXFVSA-N 349.814 3.252 10 40 EGCB CNC1=NN=C(c2cc(C)n(-c3ccc(OC)cc3)c2C)CS1 7781600 QLDLEYBCZZRSFL-UHFFFAOYSA-N 328.441 3.129 10 40 EGCB CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2ccccc2)c1O 72312053 YRGGXXLXHJFZRL-UHFFFAOYSA-N 346.814 3.319 10 40 EGCB CCOc1ccc(-n2c(C)cc([C@H]3NC[C@@H](C(=O)O)S3)c2C)cc1 408977547 IXIHXDRPUPBPJJ-IRXDYDNUSA-N 346.452 3.281 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(Br)o1 44289392 NKYYNCRCCCBLTM-UHFFFAOYSA-N 337.217 3.380 10 40 EGCB CCN1C(=O)C(=Cc2ccc(C(C)C)cc2)C(=O)N(CC)C1=S 6757836 SSJQYVKVYMBRNA-UHFFFAOYSA-N 330.453 3.189 10 40 EGCB CC[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1c(C)noc1C 195579146 XTNPIFVISJMVAO-OAHLLOKOSA-N 343.427 3.277 10 40 EGCB Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=CSC3=NC2=O)cc1 41076640 ZJCJVXHTENCKTH-ZFRJSZHUSA-N 335.392 3.035 10 40 EGCB COc1ccc(N2C(=O)N=C(O)/C(=C/C=C/c3ccco3)C2=O)cc1 9334881 NYQNGPHWQJJDTO-RPGBBNPCSA-N 338.319 3.351 10 40 EGCB Oc1cc2c(cc1CN1CCN(c3cccc(Cl)c3)CC1)OCO2 57355267 VNAFTXOQGOFNQW-UHFFFAOYSA-N 346.814 3.097 10 40 EGCB CCc1nnsc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 27157548 JAKLGBLTVZUYQX-UHFFFAOYSA-N 344.484 3.363 10 40 EGCB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccs3)C2=O)cc1Cl 6173956 QGIQCZMETRYSSY-WQLSENKSSA-N 346.795 3.376 10 40 EGCB Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 5027414 PAOBNMVXXUBALX-ZSOIEALJSA-N 342.380 3.141 10 40 EGCB CCN(CC)c1ccc(CNC(=O)COc2ccc(F)cc2)cc1 224380077 HOPHGNLFUBAVMC-UHFFFAOYSA-N 330.403 3.367 10 40 EGCB COc1ccc(C2=C[C@H](c3ccc(N(C)C)cc3)NC(=S)N2)cc1 5737862 YYGQWGPXSSMMTH-QGZVFWFLSA-N 339.464 3.321 10 40 EGCB CCn1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cn1 2797787 FCVCCRFNEQWLJB-XNTDXEJSSA-N 343.477 3.347 10 40 EGCB C/C(=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(Cl)cc1 2996663 CSGAKQZSIYALLZ-WQLSENKSSA-N 341.841 3.406 10 40 EGCB Cc1cc(C(=O)N(C)C[C@@H]2CCCC[C@H]2O)c(C)n1-c1ccccn1 97233339 DWHNDKBTHMYWRB-FUHWJXTLSA-N 341.455 3.112 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3ccccc3F)CC2)cc1 65530707 XMZMEBCBYFUVEI-UHFFFAOYSA-N 328.387 3.233 10 40 EGCB COc1c(F)ccc(F)c1C(=O)N1CCOc2cc(N(C)C)ccc21 225603595 YPLJBDVRTZPENB-UHFFFAOYSA-N 348.349 3.079 10 40 EGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3cccnc3)S2)cc1 5373238 JSYXBJDYVZOQTO-DHDCSXOGSA-N 338.392 3.122 10 40 EGCB Cc1ccccc1-n1c(C)cc(C(=O)NCCc2cnn(C)c2)c1C 58409482 PDNWIRXXQCFKLG-UHFFFAOYSA-N 336.439 3.109 10 40 EGCB CCN1C(=O)C(=Cc2cccc3ccccc23)C(=O)N(CC)C1=S 5455844 HQIQTGMLGLNCOE-UHFFFAOYSA-N 338.432 3.219 10 40 EGCB Cc1cc(C(=O)N(C)CCc2ccccn2)c(C)n1-c1ccccn1 63682908 JKMLRNHHSSCAQI-UHFFFAOYSA-N 334.423 3.199 10 40 EGCB O=C1NC(=S)S/C1=C/c1ccc(-c2cccc(C(=O)O)c2)o1 3023843 BHFPIPOWNHCUDR-KPKJPENVSA-N 331.374 3.134 10 40 EGCB CC1CCN(C2=NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)CC1 9188883 DSFFUDJTRMCWNK-UVTDQMKNSA-N 331.397 3.297 10 40 EGCB Cn1cccc1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O 33352173 KKGKNGNNPFAZEY-UKTHLTGXSA-N 329.743 3.185 10 40 EGCB CCN(CC)CCOc1ccc(/N=N/c2ccc(N)nc2N)cc1 16941369 BYPQUOPSIOBZHA-QURGRASLSA-N 328.420 3.382 10 40 EGCB CCN(CC)c1ccc(CNS(=O)(=O)Cc2ccc(C)cc2)cc1 223187629 RZZXOAJHLZWZRC-UHFFFAOYSA-N 346.496 3.461 10 40 EGCB Cc1cccnc1NC(=S)NCc1ccc(N2CCCC2)cc1 223951051 OFFMGKABLGFAQA-UHFFFAOYSA-N 326.469 3.477 10 40 EGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(F)c1 559743 NVSRBSFFGRORRL-YBEGLDIGSA-N 341.338 3.292 10 40 EGCB Cc1cccc(N2C[C@](O)(c3ccccc3)[N+]3=C2SCCC3)c1 2966104 SELPHLLAZPHGPN-IBGZPJMESA-N 325.457 3.166 10 40 EGCB Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)s1 13756180 RFGJUMMSYFUJKE-LCYFTJDESA-N 326.377 3.031 10 40 EGCB CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 69732 UHFNLDHHSVFCGK-QGZVFWFLSA-N 345.443 3.112 10 40 EGCB CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 409252436 XUNQMOBIOZUOOZ-GZTJUZNOSA-N 339.395 3.015 10 40 EGCB CC(C)COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 408599118 FCAAIJXHQDALDN-ATVHPVEESA-N 336.391 3.183 10 40 EGCB Cc1nonc1/N=N\N(Cc1ccc(Cl)cc1)c1nonc1C 102588220 UWPCJJNRIJBRJF-HKWRFOASSA-N 333.739 3.428 10 40 EGCB Cc1cc(C(=O)CSc2nnc[nH]2)c(C)n1-c1cccc(F)c1 6365853 PNIQOLHPCQHJTK-UHFFFAOYSA-N 330.388 3.326 10 40 EGCB COc1cccc(NC(=S)NCCCN2CCc3ccccc32)c1 225559004 NLZGOTPXCUQQHH-UHFFFAOYSA-N 341.480 3.434 10 40 EGCB O=C(c1cc2cc(O)c(O)cc2s1)N1CCC([C@H]2CCOC2)CC1 585121870 DGRINTUHFWHUFE-LBPRGKRZSA-N 347.436 3.201 10 40 EGCB COc1ccccc1N[C@H]1SC(=O)N(c2ccc(F)cc2)C1=O 12112995 MGHUEOWJPPKEAS-AWEZNQCLSA-N 332.356 3.472 10 40 EGCB CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2CCOC)c1O 25309990 GYPOUEBALFWJNT-GOSISDBHSA-N 342.395 3.004 10 40 EGCB Cc1ccsc1CNCc1ccc(N2CCC(O)CC2)c(F)c1 71825307 KODAGEIWFOSEDN-UHFFFAOYSA-N 334.460 3.447 10 40 EGCB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(F)cc1 409135391 UYUHOAZPZUAURY-UVTDQMKNSA-N 326.352 3.226 10 40 EGCB CCCN1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)SC1=S 409339889 MNBXYNIRBSHEQF-QINSGFPZSA-N 348.493 3.134 10 40 EGCB COc1ccc(OC)c(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)c1 457558 HIWNNXHGUUWDCK-YUSFRKCESA-N 346.452 3.406 10 40 EGCB COc1ccc(N/C=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)cc1 101112625 FPWOLDHSJAMBJU-LDADJPATSA-N 337.379 3.422 10 40 EGCB O=C(C[C@@H]1SC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1 12289131 PWFNRVWAJURZKR-AWEZNQCLSA-N 344.367 3.423 10 40 EGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 13774032 ANIHMRJCMITPSC-UVTDQMKNSA-N 326.739 3.006 10 40 EGCB CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccoc3)cc2)SC1=S 16188921 KFLHNCMREWGYCB-MDWZMJQESA-N 345.401 3.330 10 40 EGCB Cc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1[N+](=O)[O-] 96759406 BHEOWRJREADIIZ-GXDHUFHOSA-N 331.397 3.359 10 40 EGCB CCN1/C(=C\C=C2C(=O)OC(C)(C)OC2=O)Sc2ccccc21 28044 NFWJPFQJTCZGAA-GXDHUFHOSA-N 331.393 3.223 10 40 EGCB C[C@@H]1CN(c2ccc(CNC(=O)C[C@@H]3C=CCC3)cc2F)C[C@@H](C)O1 106118758 PTLVNNLSWSSNMN-BZUAXINKSA-N 346.446 3.412 10 40 EGCB Cc1ccc(O)c(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1 91686411 QSORAKJYUGOKCT-MRXNPFEDSA-N 339.439 3.255 10 40 EGCB CC(C)CN1C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SC1=S 33306918 CAJSAWMFPCQONH-WUXMJOGZSA-N 338.410 3.158 10 40 EGCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cccc3cccnc13)C(=O)C2=O 6759395 ISEZCPGSEAIFJM-VQTJNVASSA-N 336.391 3.138 10 40 EGCB C[C@@H](NC(=O)[C@H]1CCCN(C)C1)c1ccc(N2CCCCC2)cc1 216918001 OWHXCSLWVHSXHX-AEFFLSMTSA-N 329.488 3.196 10 40 EGCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(C)o2)SC1=S 19891128 IZDRRPFNECLQEI-RVVCGMRGSA-N 339.438 3.289 10 40 EGCB O=C(NN1C(=O)/C(=C\c2ccccc2)SC1=S)c1ccccc1 1417253 GAQYWHAXDBGVFY-SDNWHVSQSA-N 340.429 3.233 10 40 EGCB Cc1cc(C)c(/N=N/c2cc(C)c(N)cc2N)c(S(=O)(=O)O)c1 4523145 GYAMFVSDGRPGCS-VHEBQXMUSA-N 334.401 3.438 10 40 EGCB Cc1cc(N(C)C)ccc1CNC(=O)CSCc1ccncc1 72286133 ONKPGHWBOMKZEB-UHFFFAOYSA-N 329.469 3.006 10 40 EGCB C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Oc1cccc(Cl)c1 97108730 ZAWXPWVFMYEOMI-VXGBXAGGSA-N 349.814 3.266 10 40 EGCB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1 13571491 ANIHMRJCMITPSC-GXDHUFHOSA-N 326.739 3.006 10 40 EGCB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccs1 101941138 GYZPBSNCXCULGN-GXDHUFHOSA-N 326.377 3.097 10 40 EGCB O=C1N=C(O)/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccco1 38185360 UFRNNWPWJPLCDG-IZZDOVSWSA-N 346.726 3.141 10 40 EGCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC[C@@H]1CCCO1 103918045 PHCDYNINYHYXSC-IYWFSZBXSA-N 327.428 3.232 10 40 EGCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC1CC1 112110395 KBCOPWMLUVIGSZ-WJDWOHSUSA-N 328.372 3.124 10 40 EGCB COc1cc(N2CCCCC2)ccc1/C=C1/SC(=S)NC1=O 4746686 NTYAYRBULMWIJI-NTEUORMPSA-N 334.466 3.174 10 40 EGCB CCOc1ccccc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 13547134 PLPFUUPGKQVIHW-OJNRTJSBSA-N 349.477 3.466 10 40 EGCB CCOC(=O)N[C@@H]1CCCN(Cc2c(O)ccc3ccccc23)C1 54517773 IJDHIDVJTOPENY-OAHLLOKOSA-N 328.412 3.256 10 40 EGCB Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)s1 7166601 PRQMHWYNRHLLNC-YFHOEESVSA-N 327.452 3.123 10 40 EGCB COc1ccc(N2CCN(C(=O)NCc3ccc(C)cc3)CC2)cc1 6546416 ZXTIGEXVFDAIFR-UHFFFAOYSA-N 339.439 3.035 10 40 EGCB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)cc(O)c1O 85412432 PTEBJNVVUJZLLE-CQSZACIVSA-N 349.412 3.063 10 40 EGCB COc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)cc1 2199605 HDESJJTVNPSIRT-UVTDQMKNSA-N 330.434 3.440 10 40 EGCB O=C(NCc1ccc(N2CCCC2)cc1)c1cc2ccccc2oc1=O 28336485 XPJBXBSACSFQOJ-UHFFFAOYSA-N 348.402 3.323 10 40 EGCB Nc1ccc(Cc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 100400743 SXKBQLZMICXHNV-CPLUKWAASA-N 344.414 3.171 10 40 EGCB Cc1ccc(-n2cccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 107786971 MQPOOSYZFQFFDO-RGEXLXHISA-N 343.386 3.247 10 40 EGCB C[C@@H]1COC[C@@H](C)N1C1=NC(=O)/C(=C/c2ccc(Cl)cc2)S1 32594696 BVPMTIDEDXIBPV-QOWMEECXSA-N 336.844 3.420 10 40 EGCB COc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 13121654 AWLTZNYSZGISDM-CKXDQPNJSA-N 335.450 3.075 10 40 EGCB COc1ccc(N2CCN(C(=O)Nc3cccc(OC)c3)CC2)cc1 55168197 XIWNSRUQQMCGDV-UHFFFAOYSA-N 341.411 3.058 10 40 EGCB CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 9190118 RCRPWEJUSTYDNB-MKRLJBPISA-N 349.477 3.466 10 40 EGCB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccsc1 409229753 UPPAVNFLFBMWLN-JXMROGBWSA-N 348.836 3.233 10 40 EGCB CC(C)OC(=O)CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 5834039 RPHQKAXYZPTPNC-UYQSWCAZSA-N 347.461 3.396 10 40 EGCB COc1ccc(N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)cc1 52466893 ZHMJZLDZLJWCFB-UHFFFAOYSA-N 344.459 3.088 10 40 EGCB CCCCc1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)no1 69707600 BKFARLMWKDMEQZ-MRXNPFEDSA-N 345.443 3.299 10 40 EGCB CC(=O)N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 408720064 WVCLPEGHRHFAKV-UXBLZVDNSA-N 342.239 3.197 10 40 EGCB CC[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCO1 108443960 NLECRUCVEWAAFC-LJQANCHMSA-N 345.487 3.243 10 40 EGCB CCN1CCC[C@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 13068514 LRCZTZOZFUCTRD-IBGZPJMESA-N 325.456 3.308 10 40 EGCB Cn1cccc1/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=S)N=C1O 441042 CRIVBUAUNIRSSO-UKTHLTGXSA-N 345.811 3.350 10 40 EGCB CCN(CC)c1ccc(CNC(=O)COc2cccc(OC)c2)cc1 55446811 OQRQZQAWRFRCCY-UHFFFAOYSA-N 342.439 3.237 10 40 EGCB Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408742785 STRXMCHQKZKJTR-UHFFFAOYSA-N 345.424 3.010 10 40 EGCB Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccc(Cl)cc1 87423 IUAWXZMJHJYKSZ-UHFFFAOYSA-N 339.829 3.454 10 40 EGCB Cc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1F 26464079 SQEABQMGMZIVTH-UHFFFAOYSA-N 330.403 3.057 10 40 EGCB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccncc3)SC2=S)c1 5660030 IPYQKUSAYRQBNG-MDWZMJQESA-N 342.401 3.186 10 40 EGCB COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1OC 63054 LLWTVMUXDKOSCA-RVDMUPIBSA-N 332.425 3.160 10 40 EGCB O=C(NCc1ccc(N2CCCCC2)cc1)NCc1cccc(O)c1 58166075 GPRXFNWKNCXMRU-UHFFFAOYSA-N 339.439 3.382 10 40 EGCB C[C@H](NCc1cccc2c1OCO2)c1ccc(N2CCOCC2)cc1 71831072 DJYXVPWTQNELJF-HNNXBMFYSA-N 340.423 3.103 10 40 EGCB CC(C)=CCc1c(O)cc(O)c2c(=O)c3ccc(O)c(O)c3oc12 14763050 ZZUFNBISWJNCEE-UHFFFAOYSA-N 328.320 3.277 10 40 EGCB endogenous,in-man Cc1ccccc1N1C[C@@](O)(c2cccs2)[N+]2=C1SCCC2 2966100 UVGYIGFQJSOQDG-QGZVFWFLSA-N 331.486 3.227 10 40 EGCB Cc1noc(C)c1[C@@H](C)C(=O)NCc1ccc(N2CC=CC2)cc1 101236046 PEGWMPURIUOSMG-CYBMUJFWSA-N 325.412 3.088 10 40 EGCB O=S(=O)(Cc1ccccc1)NCc1ccc(N2CCCCC2)cc1 10113261 YKVZPORYDRFWLD-UHFFFAOYSA-N 344.480 3.297 10 40 EGCB CN(C)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O 210059 VFOIBQTXTFIORA-UHFFFAOYSA-N 332.831 3.080 10 40 EGCB biogenic COc1ccc(N2CCC(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 106645724 WSOFMWJWQDLQSP-DOXZYTNZSA-N 328.456 3.216 10 40 EGCB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2sccc2C)C1=O 4739689 PPFOBCIFOITYDE-FMIVXFBMSA-N 326.377 3.031 10 40 EGCB COc1cc(Br)cc(CN[C@H](C)c2cccnc2)c1O 69536783 MRLFVACIHOVHLY-SNVBAGLBSA-N 337.217 3.409 10 40 EGCB COc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 8657387 PQEZQIJHCYNLMT-ZROIWOOFSA-N 328.418 3.496 10 40 EGCB O=C(CN[C@@H](CO)C1CC1)Nc1ccc(/N=N/c2ccccc2)cc1 95941343 XNUWWYNMUVWLLR-CCWVLBSLSA-N 338.411 3.401 10 40 EGCB Cc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c(C)c1 425724 IYINGRVFDAFAAB-HXUWFJFHSA-N 339.484 3.474 10 40 EGCB COc1ccc(N2CCN(C[C@H](O)c3cc(C)ccc3C)CC2)cc1 65255261 CUOIRRSPRPZDDM-NRFANRHFSA-N 340.467 3.168 10 40 EGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 4356981 VXDQDIVHBFUZKI-IHOMRZGLSA-N 337.422 3.146 10 40 EGCB COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 106645722 WSOFMWJWQDLQSP-YZVOILCLSA-N 328.456 3.216 10 40 EGCB COc1ccc(-c2cc(=O)oc3c(CN(C)C)c(O)ccc23)cc1 489310 SYQNMKJNHOOKKQ-UHFFFAOYSA-N 325.364 3.236 10 40 EGCB biogenic Cc1cc(O)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C 16081792 FPJHIGHRZKVUJF-UHFFFAOYSA-N 341.411 3.239 10 40 EGCB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(SC)cc1 408986062 LLKMOQXOXXRCIP-GDNBJRDFSA-N 331.437 3.490 10 40 EGCB CC(=O)NCCc1c[nH]c(/N=N\c2ccc(Br)cc2)n1 104182382 GGZSHVUZOINSCW-HNENSFHCSA-N 336.193 3.266 10 40 EGCB Cc1cc(C(=O)N(C)C[C@H]2CCCC[C@@H]2O)c(C)n1-c1ccccn1 97233337 DWHNDKBTHMYWRB-AEFFLSMTSA-N 341.455 3.112 10 40 EGCB COc1cc(O)c(CN2CCO[C@@H](c3ccc(F)cc3)C2)cc1OC 89420870 UYSZNKKWKWHEGP-LJQANCHMSA-N 347.386 3.122 10 40 EGCB C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)C[C@H](C)O1 96346686 VLXIBVNWZXDCMT-LNIJQMCSSA-N 342.873 3.481 10 40 EGCB Cc1nc(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)c(C)o1 95444691 JTZMQKYJKFIGTA-UHFFFAOYSA-N 338.411 3.066 10 40 EGCB COc1ccc(CC(=O)NC(C)(C)c2ccc(OC)cc2O)cc1 89761855 PITFNOWRDSSUPN-UHFFFAOYSA-N 329.396 3.003 10 40 EGCB COc1ccc(N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)cc1 69378585 MOLITQOHXGWKCS-UHFFFAOYSA-N 328.372 3.079 10 40 EGCB CC(C)[S@@](=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 71921241 IWTHGPUTVQSZJA-DEOSSOPVSA-N 344.480 3.199 10 40 EGCB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccco3)SC2=S)cc1 4426252 BBTRREVUPCHCQA-XYOKQWHBSA-N 331.374 3.384 10 40 EGCB CCCc1cc2c(=O)c(-c3ccon3)coc2c(CN(C)C)c1O 486191 JKUCAQAXBWPUGV-UHFFFAOYSA-N 328.368 3.168 10 40 EGCB biogenic CC(C)C(=O)N1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1 12941390 DZYKVVCDTKKWJK-UHFFFAOYSA-N 346.858 3.499 10 40 EGCB CCOc1ccccc1/C=C1\C(=O)N(CC(C)C)C(C)=C1C(=O)OC 408770347 WJVJUHZFPDDOTE-WJDWOHSUSA-N 343.423 3.414 10 40 EGCB Cc1cc(C)c(N2C(=O)N=C(O)/C(=C/c3cccn3C)C2=O)c(C)c1 9058939 YKLIETBMTATDGQ-GDNBJRDFSA-N 337.379 3.457 10 40 EGCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@H]3CCCN(C)C3)cc2)C1 216918113 GNEDOUFTIQJOBS-LMMKCTJWSA-N 343.515 3.442 10 40 EGCB O=C1/C(=C\c2ccccc2)SC(=S)N1C(=O)c1ccccn1 6222562 AZEGIWLFOSRXCJ-JLHYYAGUSA-N 326.402 3.123 10 40 EGCB Cc1ccoc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 55530263 CDXRKNBXXRLVQL-ZIAGYGMSSA-N 346.402 3.271 10 40 EGCB CCN1N=C(C(F)(F)F)/C(=C\c2cnn(-c3ccccc3)c2)C1=O 96295443 AKAOPBBBWYRECX-MDWZMJQESA-N 334.301 3.036 10 40 EGCB Cc1noc(C)c1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 40267316 HLOYNZXERVBTBW-UHFFFAOYSA-N 335.410 3.216 10 40 EGCB O=C1c2ccccc2C(=O)c2c(I)cccc21 3896786 OZFDRTGKARBHQM-UHFFFAOYSA-N 334.112 3.067 10 40 EGCB Cn1cccc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccc(N)cc1 44790463 MYYXUGSAJXPPBF-RGEXLXHISA-N 342.402 3.442 10 40 EGCB O=C1c2ccccc2C(=O)c2c(OCCN3CCCCC3)cccc21 4783341 TYYWSGFBGKAAKD-UHFFFAOYSA-N 335.403 3.327 10 40 EGCB COc1ccc(-n2c(C)cc(C(=O)COC(=O)[C@@H]3C[C@H]3C)c2C)cc1 2642874 OWDRZYOENKSCLB-SJKOYZFVSA-N 341.407 3.485 10 40 EGCB CCSc1nnc2c(n1)OC=Nc1ccc(Br)cc1-2 3656383 WIRRDWCHYBGZTC-UHFFFAOYSA-N 337.202 3.465 10 40 EGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 9136872 MLPFYGXSXOJKHY-LGMDPLHJSA-N 330.343 3.408 10 40 EGCB CCN(CCCNC(=O)c1cccc(F)c1)c1ccc(OC)cc1 224959989 NVNPRRVDINAHCC-UHFFFAOYSA-N 330.403 3.481 10 40 EGCB COc1cc([C@H]2NN=C(c3ccccc3O)S2)cc(OC)c1OC 3132092 MKBMRLJKFDMLRW-INIZCTEOSA-N 346.408 3.115 10 40 EGCB O=C(NCc1c(O)cccc1F)NC[C@@H]1CCO[C@H]1c1ccccc1 1615555002 WWAKOGMIPJFVSQ-KSSFIOAISA-N 344.386 3.108 10 40 EGCB COc1cc([C@H]2CC(c3cc(C)ccc3O)=NN2)cc(OC)c1OC 115300 QAAUBKURVOSUGT-CQSZACIVSA-N 342.395 3.165 10 40 EGCB COCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2C)SC1=S 5880948 CDFYZUGIJUBTSM-MKVLZVNKSA-N 347.461 3.242 10 40 EGCB CN(C)c1ccc([C@@H](CNC(=O)Nc2cccs2)N(C)C)cc1 22418284 GMAYCBHBLBTBDH-OAHLLOKOSA-N 332.473 3.239 10 40 EGCB COc1ccc(N2CCCN(C(=O)c3ccc(C)s3)CC2)cc1 55877472 ZFTVJEHCRJPDMT-UHFFFAOYSA-N 330.453 3.418 10 40 EGCB CCOc1cc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)ccc1O 3636027 JLVSTIDDZNQQSP-KPENOIPVSA-N 346.452 3.493 10 40 EGCB CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1O)C2 19287537 AOUVLNIWIBVXMK-UHFFFAOYSA-N 337.261 3.201 10 40 EGCB C[C@H]1CN(c2ccc(CNC(=O)NC3CCCC3)cc2F)C[C@@H](C)O1 56332461 WCZXFEODUQZFQP-OKILXGFUSA-N 349.450 3.181 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 5965607 HVDIVKIUSAWTNZ-SERMCNLOSA-N 339.413 3.280 10 40 EGCB COc1ccc([C@H]2CC(c3ccc(OC)cc3O)=NN2C(C)=O)cc1 538854 HCJQIPFVSXHCST-GOSISDBHSA-N 340.379 3.107 10 40 EGCB Cc1ccsc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O 7166593 HUTYTVJFMKAPCA-YFHOEESVSA-N 327.452 3.123 10 40 EGCB COC(=O)C1=CN(c2ccc(C)c(C)c2)c2ccccc2S1(=O)=O 64979130 WYJXWYHAMZUZDB-UHFFFAOYSA-N 343.404 3.243 10 40 EGCB CC1CCN(c2ccc([C@@H](C)NC(=O)C3CCN(C)CC3)cc2)CC1 216924152 BBAPFVKJVSSGNP-QGZVFWFLSA-N 343.515 3.442 10 40 EGCB COc1ccc(N2CCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 102412100 GNIJOPCTUDBYPX-ULQDDVLXSA-N 328.456 3.170 10 40 EGCB CN(C)c1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 190733 JLBPOYFNHCRMOX-LFIBNONCSA-N 337.335 3.005 10 40 EGCB CCCN1C(=O)c2ccccc2N[C@H]1c1cc(O)c(O)c(OC)c1 7886618 IIJRKKYVOZRBKN-QGZVFWFLSA-N 328.368 3.083 10 40 EGCB C[C@H]1CN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)C[C@@H](C)O1 18143447 JBFRKTYSNJDQCQ-FGLUKDLVSA-N 336.844 3.420 10 40 EGCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(O)c2)SC1=S 409196188 NUGIQRZITCZBSY-NTEUORMPSA-N 330.434 3.348 10 40 EGCB COc1ccc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)c(OC)c1 85698 LJVUOLOTIYCBAX-PFSWGADMSA-N 346.452 3.406 10 40 EGCB O=C(O)CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 966920 CDYUPXAPPDEIKP-YCRREMRBSA-N 348.232 3.279 10 40 EGCB CC(C)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9137881 XXMBNZFZOSPJNZ-FQEVSTJZSA-N 343.515 3.368 10 40 EGCB COc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2C)cc1 44085576 YNHWICZLAXJIMS-UHFFFAOYSA-N 345.468 3.200 10 40 EGCB Cc1oc2c(c1C(=O)NC1CCCCC1)C(=O)c1ccccc1C2=O 1236044 QGZJOJWGTMTYEL-UHFFFAOYSA-N 337.375 3.426 10 40 EGCB CCn1ccc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)n1 2798316 JIOQGWFSYDUEOG-NTCAYCPXSA-N 343.477 3.347 10 40 EGCB COCCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O 409245178 ONXSQHJSRZWBDS-DTQAZKPQSA-N 346.452 3.360 10 40 EGCB COc1ccc(N2CCN(CC(=O)c3ccc(C)cc3C)CC2)cc1 67206135 FAEIHYJKSPDROT-UHFFFAOYSA-N 338.451 3.317 10 40 EGCB Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(Cl)cc1 447615 CRQIQBOXJOFFDR-RIYZIHGNSA-N 331.828 3.093 10 40 EGCB COc1cc2c(cc1OC)[C@H]1Cc3cc(OC)c(OC)cc3N1CC2 5550052 HSVWVJHFMUWLHL-MRXNPFEDSA-N 341.407 3.381 10 40 EGCB CCCc1nnc(S/C(=C\c2ccc(N(C)C)cc2)C(=O)O)[nH]1 7342261 KTYURWUPTAHMLW-RAXLEYEMSA-N 332.429 3.041 10 40 EGCB COc1cccc(/C=C2\SC(Nc3ccc(O)cc3)=NC2=O)c1 5586747 OSEMTGKRLNKFCP-GDNBJRDFSA-N 326.377 3.483 10 40 EGCB CC1(C)OC(=O)C(=CNc2cc(C(F)(F)F)ccc2Cl)C(=O)O1 215655 XVEGYTOXAYIBLG-UHFFFAOYSA-N 349.692 3.491 10 40 EGCB CCOc1ccccc1/C=C1\C(=O)N(C(C)C)C(C)=C1C(=O)OC 59959412 YJGVZYOOKPOWCP-PTNGSMBKSA-N 329.396 3.166 10 40 EGCB Nc1ccc(Cn2cnc(C(=O)Nc3ccc(F)c(F)c3)c2)cc1 71775241 KNEQNEKHMIWBTB-UHFFFAOYSA-N 328.322 3.044 10 40 EGCB COc1ccc(N2CCC(N(C)C(=O)c3cccnc3C)CC2)cc1 95394045 MEQLSSJOCFQCBU-UHFFFAOYSA-N 339.439 3.140 10 40 EGCB O=S(=O)(Nc1cccc(Cl)c1Cl)c1cccc2nonc12 32578730 WHIWMEKUCHBZIO-UHFFFAOYSA-N 344.179 3.330 10 40 EGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccccc3)C2=O)c1 6216976 ZVMZDZFQZDXWSS-MKILNOHCSA-N 332.359 3.218 10 40 EGCB Cc1nc(CNC(=O)NCc2ccc(N3CCCCC3)cc2)cs1 58213180 CXAQNJJLZAPWDC-UHFFFAOYSA-N 344.484 3.441 10 40 EGCB CCOc1cccc(CNCc2ccc(N3CCCC3)nc2)c1O 69892625 KPGDINSJEGEHEM-UHFFFAOYSA-N 327.428 3.076 10 40 EGCB COc1ccc([C@H]2Nc3cc(Cl)ccc3C3=NCCN32)c(O)c1 72342086 SWDBLYDCUWPEKD-KRWDZBQOSA-N 329.787 3.241 10 40 EGCB O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1C(=O)c1ccccc1 5601390 IFOXPLNQOXEJTC-GXDHUFHOSA-N 341.413 3.434 10 40 EGCB CC[C@@H](NCc1cnn(C)c1C)c1cc(Br)ccc1O 156955525 GDSYGQJFIQGBDD-CQSZACIVSA-N 338.249 3.438 10 40 EGCB COc1ccc(/N=c2\scc(-c3ccc(O)c(O)c3O)n2C)cc1 101728884 PLKISUNTRNEBIT-ZCXUNETKSA-N 344.392 3.111 10 40 EGCB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1770108 FVLKKHRUPRHFJS-SEVUFMINSA-N 339.413 3.136 10 40 EGCB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccco1 408891720 CBQWWSJYEUBMGR-WJDWOHSUSA-N 339.347 3.165 10 40 EGCB CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccnc2)cc1 71799918 LSGKXLIGFJNVAD-UHFFFAOYSA-N 337.345 3.352 10 40 EGCB CC1CCN(C2=NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)CC1 208287 WNQFZDISXWGGGH-DHDCSXOGSA-N 330.409 3.118 10 40 EGCB CN(C)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1 7908238 MLAZGCUHLPFWEG-UHFFFAOYSA-N 340.448 3.384 10 40 EGCB O=C1NN=C(c2ccccc2)/C1=C/NCc1cccc(C(F)(F)F)c1 4620930 QQLVFJOCZYBHSS-PTNGSMBKSA-N 345.324 3.213 10 40 EGCB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccco2)C(=O)NC1=S 409102604 DNMOXAWACGFDDK-DHZHZOJOSA-N 346.795 3.073 10 40 EGCB Cc1ccc(C)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c1 7166610 CLGZGGALLNDHMA-LCYFTJDESA-N 335.450 3.369 10 40 EGCB OC1CCN(c2ccc(CNCc3ccccc3F)cc2F)CC1 71825301 RANJOOJOXBMMEM-UHFFFAOYSA-N 332.394 3.216 10 40 EGCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 5374050 VSEKXUGNKDYGLQ-HYVKJMSASA-N 341.479 3.449 10 40 EGCB CN(C)c1ccc(CNC(=O)c2csc(-c3ccccn3)n2)cc1 66017518 RQOQVBWODBUQIH-UHFFFAOYSA-N 338.436 3.201 10 40 EGCB O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 17071666 IWXWPODGYGUGJI-MDWZMJQESA-N 343.389 3.396 10 40 EGCB CCOc1ccc(/N=N/c2c(C)nn(C(N)=S)c2OCC)cc1 18081864 ZGOZAZQVDRVGEG-ISLYRVAYSA-N 333.417 3.496 10 40 EGCB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(N(C)C)cc1 199416332 ALSCXVYFMMXENP-FQEVSTJZSA-N 338.451 3.243 10 40 EGCB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(C)n1C 210408 HOPOEHHHVRIPSL-WJDWOHSUSA-N 331.485 3.374 10 40 EGCB CC[C@H](NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1ccccc1O 248572233 ROCXAIJDYGTRRQ-NLWGTHIKSA-N 332.488 3.201 10 40 EGCB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2cccs2)SC1=S 19891135 VSEKXUGNKDYGLQ-SMULGIRPSA-N 341.479 3.449 10 40 EGCB Cc1ccc(-c2ccc(C(=S)N3CCOCC3)o2)c([N+](=O)[O-])c1 549954 JNQROXQGVWRGBH-UHFFFAOYSA-N 332.381 3.171 10 40 EGCB C[C@H]1CN(c2ccc(CNC(=O)C[C@@H]3C=CCC3)cc2F)C[C@@H](C)O1 106118763 PTLVNNLSWSSNMN-OWCLPIDISA-N 346.446 3.412 10 40 EGCB COc1cccc(CN/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)c1 103916085 BUVPDJCILPFEIG-RGEXLXHISA-N 335.407 3.482 10 40 EGCB CC(=O)O[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1c1cc(C)ccc1O 4473116 BJIJSSPSGFSVOC-AZUAARDMSA-N 339.391 3.106 10 40 EGCB CCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 15931354 GIDYNNPNMOCMFW-AHGVEAMXSA-N 346.452 3.165 10 40 EGCB CCN(CC)c1ccc(CNC(=O)COc2ccccc2F)cc1 223099671 UPHKZBGJHAEMAQ-UHFFFAOYSA-N 330.403 3.367 10 40 EGCB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccco1 133262 LMVQSTHLGSRWEZ-SSZFMOIBSA-N 339.420 3.072 10 40 EGCB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1O 19891118 JDCKUMXKXNPDFG-GHXNOFRVSA-N 347.373 3.089 10 40 EGCB CN(C)c1ccc(CNC(=O)Nc2ccccc2-n2cccn2)cc1 48151321 XZTZYXKIGGOTAJ-UHFFFAOYSA-N 335.411 3.260 10 40 EGCB NC[C@H]1O[C@@H](C23CC4CC(CC(C4)C2)C3)Cc2c1ccc(O)c2O 3871345 QLJOSZATCBCBDR-KELKAAFXSA-N 329.440 3.255 10 40 EGCB biogenic,in-vitro CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccccn2)c1 225330015 WZRODRNPWNSDGL-UHFFFAOYSA-N 329.425 3.053 10 40 EGCB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214178 VHZQMSBUAIRHQU-IBGZPJMESA-N 349.434 3.358 10 40 EGCB Cc1noc(COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 32895114 GKVWVGZIGDQLTF-UHFFFAOYSA-N 329.331 3.282 10 40 EGCB CC(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1 12382913 VMWUFJNJWBGKCB-LCYFTJDESA-N 335.450 3.486 10 40 EGCB Nc1c(C(=O)c2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 4522782 WKLRPYQQRZSYPI-UHFFFAOYSA-N 327.339 3.275 10 40 EGCB Cc1c(/C=C2/NC(=O)NC2=O)c2ccccc2n1Cc1ccccc1F 409047441 OPYCXEKQZCEKHD-LICLKQGHSA-N 349.365 3.317 10 40 EGCB CN(C)Cc1c(O)ccc2c1c1ccnc3c4ccccc4c(=O)n2c13 6624568 HVJBBKOMQCZWEK-UHFFFAOYSA-N 343.386 3.359 10 40 EGCB biogenic Cc1cc2n(n1)C[C@H](CNCc1ccc(N3CCCCC3)cc1)CN2 69817135 SMNPIAKGXNQHDA-GOSISDBHSA-N 339.487 3.013 10 40 EGCB CN1CCCc2cc(/C=C/C(=O)NC[C@@H]3Cc4ccccc4O3)ccc21 58245765 IRHMXBGOYHJSOB-JARZOMNASA-N 348.446 3.202 10 40 EGCB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc[nH]1 100147554 QETSFVXNMVHIFU-KPKJPENVSA-N 329.743 3.172 10 40 EGCB O=C(Cc1ccc(F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 69653747 BHMYRPAVKJRSST-SFHVURJKSA-N 343.398 3.282 10 40 EGCB Cc1cc(CNC(=O)CCCc2nc(C(C)C)no2)ccc1N(C)C 69737096 BKQILOXIFCPYQZ-UHFFFAOYSA-N 344.459 3.207 10 40 EGCB CN(c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1)C1CCCCC1 95381808 DFTXOWAEUADHQN-UHFFFAOYSA-N 339.439 3.074 10 40 EGCB COc1ccc(CNCc2cccc(N3CCOC3=O)c2)cc1C 66974137 QFMRRONTTJVERW-UHFFFAOYSA-N 326.396 3.250 10 40 EGCB COc1c(Cl)cc(Cl)cc1/C=C1/SC(NC(C)=O)=NC1=O 33319492 KNVICWTXJICRNV-ONNFQVAWSA-N 345.207 3.108 10 40 EGCB Cc1cc(N(CCO)CCO)ccc1N=Nc1ccc([N+](=O)[O-])cc1 254882788 ADCWDMYESTYBBN-UHFFFAOYSA-N 344.371 3.110 10 40 EGCB O=C1N=C(NC2CCCCC2)S/C1=C\c1cccc2c1OCO2 40139737 ZSHNYNZDTADDDE-ZROIWOOFSA-N 330.409 3.308 10 40 EGCB Cc1nc2c(C(=O)O)c(C)nn2c(O)c1Cc1c(F)cccc1Cl 103795316 OJRZTNQOPDOFHS-UHFFFAOYSA-N 349.749 3.133 10 40 EGCB O=C(NCc1ccc(N2CCCC2)cc1)Nc1nnc(C2CC2)s1 43359273 PHFYWVWWSUJVOV-UHFFFAOYSA-N 343.456 3.337 10 40 EGCB Oc1ccc(Br)cc1CN1CCC(N2CCCC2)CC1 2735008 HIQAWQABTTUWAF-UHFFFAOYSA-N 339.277 3.215 10 40 EGCB COc1cc(Br)cc([C@@H]2NC(=O)c3ccccc3N2)c1O 9512484 GEDBBJZPJIIATO-AWEZNQCLSA-N 349.184 3.017 10 40 EGCB CN(Cc1ccccc1O)C(=O)c1cc(C2CC2)nn1C(C)(C)C 53916387 UEUWXKHWNFNPSJ-UHFFFAOYSA-N 327.428 3.493 10 40 EGCB O=C1N=C(Nc2ccc(C(=O)O)c(O)c2)S/C1=C/c1cccs1 28296978 RGOCOEJVSBIPPL-KPKJPENVSA-N 346.389 3.234 10 40 EGCB O=C1N=C(Nc2cccnc2)S/C1=C/C1=Cc2ccccc2OC1 9422963 POBLIQQWZCLEBG-CXUHLZMHSA-N 335.388 3.483 10 40 EGCB CCOc1ccc(NC(=O)c2cn(Cc3ccc(N)cc3)cn2)cc1 71775346 SXGHYCDUJYDGJO-UHFFFAOYSA-N 336.395 3.165 10 40 EGCB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccc(F)cc1 214244454 XCKICKMETVLGQV-OVCLIPMQSA-N 345.351 3.473 10 40 EGCB CN(C)c1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1 585093658 XRFGNWNONOUCCS-UHFFFAOYSA-N 339.483 3.004 10 40 EGCB CC(=O)N1C[C@H](C)CN(C(=O)/C=C/c2cccnc2)c2ccccc21 78935507 PANVGWZYGSZEDH-FEAKQIBJSA-N 335.407 3.131 10 40 EGCB CN(C)c1ccc(CNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 8171871 LUNJKWPQPJTOBI-UHFFFAOYSA-N 332.787 3.065 10 40 EGCB O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1cccnc1 5338283 HINYIERVPNYKAI-NTEUORMPSA-N 327.434 3.352 10 40 EGCB COc1ccccc1/C=C1/C(=O)NN(c2ccc(C)c(Cl)c2)C1=O 27501178 NBDLDYJDFDHMBV-ZROIWOOFSA-N 342.782 3.118 10 40 EGCB CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccccn1 71913614 RIIOMXVFCNOESD-UHFFFAOYSA-N 340.471 3.310 10 40 EGCB COc1ccc(C2=NN(C)C(=O)/C2=C\c2ccc(N(C)C)cc2)cc1 18193413 CAQJJPDFUYFWSF-AQTBWJFISA-N 335.407 3.021 10 40 EGCB CO/C(=C\c1ccccc1)C(=O)N1CCOc2cc(N(C)C)ccc21 585079486 LNNQDNJVDXNJRS-UYRXBGFRSA-N 338.407 3.166 10 40 EGCB COc1ccc(N2CCC(NCc3cn(C)nc3C(C)C)CC2)cc1 71924586 VUEZAFZCEIMIFX-UHFFFAOYSA-N 342.487 3.311 10 40 EGCB CCCN1C(=O)/C(=C\c2ccc(SC)cc2)C(C(=O)OC)=C1C 2648526 OITNIWKOXZHWAH-PTNGSMBKSA-N 331.437 3.491 10 40 EGCB COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CCCC2)cc1 1587300 TUODYFDDFYVYBP-LJQANCHMSA-N 327.380 3.315 10 40 EGCB COc1cccnc1NC(=S)NCc1ccc(N2CCCC2)cc1 225425780 LBNSWZAJVVEZQE-UHFFFAOYSA-N 342.468 3.177 10 40 EGCB c1ccn2c(CCNCc3ccc(N4CCCCC4)cc3)nnc2c1 23762353 WYKVENPNMQWGQV-UHFFFAOYSA-N 335.455 3.052 10 40 EGCB O=C1N=C(Nc2ccc(O)c(C(=O)O)c2)S/C1=C/c1cccs1 28296976 XZCFJMPAWDDXHS-KPKJPENVSA-N 346.389 3.234 10 40 EGCB Cc1cccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)n1 409198854 MAKWQOHIELDQMB-NTEUORMPSA-N 329.450 3.346 10 40 EGCB CCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=S 33631777 NSTFPKNCTIUXIE-UVTDQMKNSA-N 330.434 3.404 10 40 EGCB Oc1ccc([C@@H]2Nc3cc(Cl)ccc3C3=NCCCN32)cc1O 12188573 MTXVFUZVZDDGTK-MRXNPFEDSA-N 329.787 3.328 10 40 EGCB CC1=NN(c2ccccc2)C(=O)/C1=C/Nc1ccc([N+](=O)[O-])cc1O 100148650 YNGNTLZWFUELHI-GXDHUFHOSA-N 338.323 3.019 10 40 EGCB O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1C(F)(F)F 72285617 WIYMEDKHQJMGPQ-UHFFFAOYSA-N 340.301 3.481 10 40 EGCB CC(=O)NCCc1c[nH]c(/N=N/c2ccc(Br)cc2)n1 17043821 GGZSHVUZOINSCW-VHEBQXMUSA-N 336.193 3.266 10 40 EGCB O=C1N[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)Nc2ccccc21 5689671 WSTAFDWQRSVFRV-QGZVFWFLSA-N 338.367 3.049 10 40 EGCB CC(C)Cc1cc(CC2(NCc3ccc(N(C)C)cc3)COC2)no1 67898214 UTNASQLLQFWNKD-UHFFFAOYSA-N 343.471 3.040 10 40 EGCB biogenic,in-vitro O=C1NC(=S)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 35962275 WDMUMCYYKPXDEM-SDQBBNPISA-N 348.361 3.049 10 40 EGCB O=S(=O)(O)c1cc(Cl)cc(N=Nc2ccc(O)cc2O)c1O 254017828 OTKYOGBGHUUFPC-UHFFFAOYSA-N 344.732 3.119 10 40 EGCB CCCCN1C(=O)/C(=C/c2cn(CC)c3ccccc23)C(=O)N=C1O 2372198 CRYBDENLHSNWOW-RVDMUPIBSA-N 339.395 3.128 10 40 EGCB COc1ccc(N2CCC(NC(=O)Cc3cccs3)CC2)cc1 71924428 SNOXBZZXKOAAGP-UHFFFAOYSA-N 330.453 3.084 10 40 EGCB O=C(NC1(Cl)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 220733666 CLHYXIGZQFCXRL-UHFFFAOYSA-N 334.158 3.084 10 40 EGCB C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 966980 ODZDWXHAWODHQZ-LOBLAWFCSA-N 327.814 3.014 10 40 EGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccco3)S2)cc1 6562997 WGJOBNKHBWFUGB-ZROIWOOFSA-N 327.365 3.320 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC(=O)c1cccs1 65553954 BPVWKVRJVFRSJW-CYBMUJFWSA-N 346.452 3.011 10 40 EGCB COc1ccc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)cc1OC 545863 NGDCZBHYYMIMHJ-KPENOIPVSA-N 346.452 3.406 10 40 EGCB O=C1N=C(Nc2cccnc2)S/C1=C\c1cccc2nccnc12 13683760 LNNFZUNLPHXFQN-ZROIWOOFSA-N 333.376 3.107 10 40 EGCB COc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(C)=O)c(OC)c1 38493608 JEVHCNDRWVVDEM-KRWDZBQOSA-N 340.379 3.107 10 40 EGCB CCN1C(=O)/C(=C\c2ccccc2C(F)(F)F)C(C(=O)OC)=C1C 83259591 BBJVNTFQBADMAD-XFXZXTDPSA-N 339.313 3.398 10 40 EGCB CCn1cc(-c2n[nH]cc2C(=O)N2CCc3c(Cl)cccc32)cn1 390835116 DBHVMHQWGYIZPE-UHFFFAOYSA-N 341.802 3.149 10 40 EGCB COC(=O)CNc1ccc(Br)cc1C(=O)c1ccccc1 532004 KFAFNRDRYLPBLG-UHFFFAOYSA-N 348.196 3.265 10 40 EGCB Fc1ccc2c(c1)CC[C@@H]2NCc1ccc(N2CCOCC2)cc1 71837145 VTLUATZGPHKRSD-FQEVSTJZSA-N 326.415 3.439 10 40 EGCB CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1ccccc1O 19527141 RUZCSTNJDIPAJZ-LJQANCHMSA-N 325.456 3.274 10 40 EGCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccnc1O 10963620 SMCCKGPCWSBNPO-UHFFFAOYSA-N 325.412 3.050 10 40 EGCB COc1cc(/C=C/C(=O)NCc2ccc(N(C)C)cc2)cc(OC)c1 7243697 YRBWQJRDCTYJRX-JXMROGBWSA-N 340.423 3.099 10 40 EGCB O=C1/C(=C/NCc2ccccc2)SC(=S)N1Cc1ccco1 618255319 XBYPVRKCHIVMTR-UVTDQMKNSA-N 330.434 3.271 10 40 EGCB CS(=O)(=O)c1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1 65606863 IGHUGQLJCIHXAD-UHFFFAOYSA-N 347.417 3.292 10 40 EGCB Cc1cccc(-n2c(C)cc([C@H]3NC[C@H](C(=O)O)S3)c2C)c1C 408975677 BZVGACCHQHAJFE-SJORKVTESA-N 330.453 3.499 10 40 EGCB Fc1cccc2c1CC[C@H]2NCc1ccc(N2CCOCC2)cc1 71837175 RSMCYYCHPHMNKP-HXUWFJFHSA-N 326.415 3.439 10 40 EGCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3/NC(=O)NC3=O)cc21 223482214 UYPHTYDDVYLDKP-OQLLNIDSSA-N 325.412 3.277 10 40 EGCB O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C/C=C/c1ccco1 502522 CIFCHVMLEBKERO-PVZXKMMOSA-N 340.379 3.188 10 40 EGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3cccn3C)S2)cc1 5372865 YIUMTYZKBGMSSI-XNTDXEJSSA-N 340.408 3.066 10 40 EGCB COc1cc(Cl)cc(/C=C2\SC(=S)N(C3CC3)C2=O)c1O 36613155 FGROCKOPUMUVQT-WZUFQYTHSA-N 341.841 3.418 10 40 EGCB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(C(F)(F)F)cc1 36400947 BREROVAWMPABOG-UHFFFAOYSA-N 340.257 3.249 10 40 EGCB COC(=O)c1c(C)sc([C@@H](O)C(=O)c2ccc(Cl)cc2)c1O 6667793 DCIGUBPRPOQFEO-ZDUSSCGKSA-N 340.784 3.118 10 40 EGCB CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccco2)SC1=S 4745666 OBXUPGFMBXWKFX-MXBGMFSPSA-N 325.411 3.124 10 40 EGCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(O)cc2)SC1=S 409206693 VUFXSYOFMPJICT-NTEUORMPSA-N 330.434 3.348 10 40 EGCB CCCc1cc(=O)oc2c(CN[C@H](C(=O)O)[C@H](C)CC)c(O)ccc12 4041705 QUNCZWVRGYTLBS-DIFFPNOSSA-N 347.411 3.040 10 40 EGCB biogenic N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(c3ccco3)=NN12 4679508 NLPHCWDLVQLBEN-TWHPYUGFSA-N 340.339 3.086 10 40 EGCB CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 408942588 ZMRZUSBXWWHCRM-LFIBNONCSA-N 335.319 3.037 10 40 EGCB CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)OCc1ccccc1 34383013 NNBVAZYHYUBQCU-KBPBESRZSA-N 346.387 3.418 10 40 EGCB O=C(Nc1nccs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 52460571 ZEDFSPMDOPEHKV-ZDUSSCGKSA-N 333.413 3.062 10 40 EGCB CCOC(=O)[C@@H]1CCCN(Cc2cc(Cl)c3cccnc3c2O)C1 21673339 FIPMGUDDBKBODJ-GFCCVEGCSA-N 348.830 3.369 10 40 EGCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)C3CCN(C)CC3)cc2)C1 260559676 NXGZOPXWNXWREE-IRXDYDNUSA-N 343.515 3.442 10 40 EGCB COc1cc(/C=C2\SC(NC3CCCC3)=NC2=O)cc(OC)c1 20987609 UPAKYRMBCPAUQT-DHDCSXOGSA-N 332.425 3.206 10 40 EGCB CCN1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)C(=O)N(CC)C1=S 59484578 RTZDUPJYERYEET-UHFFFAOYSA-N 344.480 3.363 10 40 EGCB Cc1nc2ccccn2c1CNC(=O)NCc1cccc(Cl)c1O 1565455719 HXPFMSAGKSSSBO-UHFFFAOYSA-N 344.802 3.001 10 40 EGCB CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@@H](OC3=O)[C@@H]2O 137091334 LCAZOMIGFDQMNC-FKKBTLCVSA-N 346.423 3.258 10 40 EGCB endogenous,in-man Cc1cc(CN2CCN(c3ncccn3)CC2)c(O)c(C(C)(C)C)c1 42909815 AQOGPWIZWUHXMH-UHFFFAOYSA-N 340.471 3.110 10 40 EGCB COc1ccc(N2CCC(NC(=O)c3ccc(C)s3)CC2)cc1 69514504 OIXNLSIPBJSREG-UHFFFAOYSA-N 330.453 3.464 10 40 EGCB COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Cl)c1OC 96930756 ZDQFNTYBJSIDOL-UXBLZVDNSA-N 329.830 3.188 10 40 EGCB CN(C)c1ccc(/C=C2/SC(=N)N(c3nccs3)C2=O)cc1 12414012 WNCXQEROKFAAEA-HHYOOHKDSA-N 330.438 3.265 10 40 EGCB CN(Cc1noc2c1C[C@@H](NCc1ccccc1)CC2)c1ccncc1 2055738688 KLMHXJYHKALVTN-KRWDZBQOSA-N 348.450 3.353 10 40 EGCB Cc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3ccccc3O)c12 58380995 FJKJQLIUOZRONS-UHFFFAOYSA-N 337.379 3.386 10 40 EGCB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NC3CC3)C2=O)cc1 9421145 HMVZSSKTXPAVRX-RGEXLXHISA-N 347.418 3.472 10 40 EGCB COc1ccc(NC2=NC(=O)/C(=C/c3ccco3)S2)c(OC)c1 6570879 VQHZNKYJRKBAAD-ZROIWOOFSA-N 330.365 3.379 10 40 EGCB O=C1/C(=C/c2ccccc2)C(O)=NC(=S)N1c1ccccc1F 59135687 USXJJLFZHBZAHB-ZRDIBKRKSA-N 326.352 3.497 10 40 EGCB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccco2)SC1=S 4478800 RJZWGPFJTILSFD-CNELAYHGSA-N 345.401 3.307 10 40 EGCB COc1ccc(NC2=NC(=O)/C(=C/c3cccnc3)S2)c(OC)c1 5520101 PBLUREMWRPXSKF-NVNXTCNLSA-N 341.392 3.181 10 40 EGCB Cc1nc2cc(F)cc(C(=O)N(C)Cc3ccccc3O)c2nc1C 53916597 PKMVCOIERHRXMM-UHFFFAOYSA-N 339.370 3.364 10 40 EGCB Cc1cc(N2CCCC2)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409400506 SAGJXGJBPVOSLD-RGEXLXHISA-N 347.418 3.057 10 40 EGCB CCN(CC)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 225136086 ABZQBHLTPFXKNF-UHFFFAOYSA-N 327.384 3.371 10 40 EGCB Cc1ccccc1-n1c(C)cc(C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1C 95459358 JXTRXGAGWWLPOO-KUHUBIRLSA-N 326.440 3.245 10 40 EGCB CCCN(Cc1ccccc1O)C(=O)CCNC(=O)OC(C)(C)C 66096660 OKEBYYBMXVSHBJ-UHFFFAOYSA-N 336.432 3.046 10 40 EGCB Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5097829 DWLSVBRSBZNLPV-IBGZPJMESA-N 325.456 3.094 10 40 EGCB CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OC 103935 CPEHUAMQTJTOBM-UHFFFAOYSA-N 346.379 3.238 10 40 EGCB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccs1 432541 KXGTYNGQIMUCBR-WQLSENKSSA-N 348.836 3.233 10 40 EGCB COc1ccc2c(c1)CCN2CC(=O)NC1(c2ccccc2)CCC1 58959740 XMHCRRSHLOUVIH-UHFFFAOYSA-N 336.435 3.253 10 40 EGCB CN(C)c1ccc(C2=CCN(Cc3nc(-c4ccco4)no3)C2)cc1 95454729 QSLQGTLWRWMDJW-UHFFFAOYSA-N 336.395 3.295 10 40 EGCB CCN(C)c1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 15938862 MBNWQHDVZWRUIZ-UYRXBGFRSA-N 349.434 3.221 10 40 EGCB CC1=NNC(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccs1 13122249 DXXTUWLUMLDCIK-XNTDXEJSSA-N 334.404 3.490 10 40 EGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc(Cl)c3)C2=O)c1 408868208 MYSUGFNUXCPNBL-XNTDXEJSSA-N 340.766 3.315 10 40 EGCB COC(=O)C1=C(C)NC(=O)/C1=C\c1cccc(Oc2ccccc2)c1 573245 SLZBGRDHYXNFBT-ATVHPVEESA-N 335.359 3.439 10 40 EGCB O=C(O)CCCN1C(=O)/C(=C/c2c(F)cccc2F)SC1=S 97990683 CEXKSQFJFGYDMG-XFFZJAGNSA-N 343.376 3.031 10 40 EGCB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 4704552 XJJMXLNHAVZAIZ-GZTJUZNOSA-N 334.375 3.278 10 40 EGCB Cc1nn(C)c(C)c1/N=N/c1[nH]cnc1C(=O)NC1CCCCC1 4817934 UQPPMSCNCLBXDI-QZQOTICOSA-N 329.408 3.238 10 40 EGCB CN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1COc2ccccc21 71844084 GLTUHULVROSXJM-QGZVFWFLSA-N 325.412 3.028 10 40 EGCB COc1cc(OC)cc(C(=O)NCCCSc2nccs2)c1 69745124 HKMZEULRCGIRIL-UHFFFAOYSA-N 338.454 3.073 10 40 EGCB CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2O)SC1=S 16681443 KUGAHGGCNLNOTL-NTEUORMPSA-N 336.482 3.460 10 40 EGCB COc1cccc(/C=C2\SC(Nc3cccnc3)=NC2=O)c1OC 13805460 DTMKRZJKXSWLNM-ZROIWOOFSA-N 341.392 3.181 10 40 EGCB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(Cl)c1 12565279 JKVDYEDVTXMTKV-UHFFFAOYSA-N 344.842 3.449 10 40 EGCB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2cccnc2)S1 20227070 GSWAJJUQHQHUNE-AUWJEWJLSA-N 339.376 3.171 10 40 EGCB [N-]=[N+]=NCC(=O)c1ccc(OCc2ccccc2)c2c1OCC(=O)N2 200592223 JJLIKFUEHHVVTD-UHFFFAOYSA-N 338.323 3.090 10 40 EGCB CN(C)c1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 9188249 GTWRKKWJXAIQBF-VBKFSLOCSA-N 329.469 3.143 10 40 EGCB CCOc1c(/N=N\c2cccc([N+](=O)[O-])c2)c(C)nn1C(N)=S 104237545 QODKHKRJUYKTKM-NXVVXOECSA-N 334.361 3.006 10 40 EGCB Cc1ccnc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1 223950510 ZSCVPYYJSHUQNA-UHFFFAOYSA-N 326.469 3.477 10 40 EGCB CCc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 14011066 UAMZRFCTEQGAMV-SFQUDFHCSA-N 334.375 3.224 10 40 EGCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 13646339 BTDGBMFMBGJTOM-UHFFFAOYSA-N 325.368 3.125 10 40 EGCB CCn1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c2ccccc21 4677867 HEPBRJZCQMMLLE-UHFFFAOYSA-N 325.364 3.415 10 40 EGCB N=C1/C(=C/c2ccco2)C(=O)N=C2SC(c3cccs3)=NN12 41077894 XBIODJMMDNWNIY-YMKMMDQASA-N 328.378 3.009 10 40 EGCB COc1ccc(N2CCCN(C(=O)c3sc(C)nc3C)CC2)cc1 55877406 YNWUQWMTJIVCKF-UHFFFAOYSA-N 345.468 3.121 10 40 EGCB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cccc3ncccc13)C(=O)C2=O 6760201 FLMOPDSPNGCEHD-VQTJNVASSA-N 336.391 3.138 10 40 EGCB CCN1CCN([C@H](c2ccccn2)c2ccc3cccnc3c2O)CC1 20192747 KLDOSYORDWQGFL-FQEVSTJZSA-N 348.450 3.062 10 40 EGCB CCC12CN3CC(C)(CN(C1)C3c1c(O)ccc3ccccc13)C2=O 19323502 FWYHSWWEJAATFT-UHFFFAOYSA-N 336.435 3.161 10 40 EGCB biogenic COc1cc(/C=C2\C(=O)N(c3cccc(F)c3)N=C2C)ccc1O 356568 SXYGQGXKACOPFS-NVNXTCNLSA-N 326.327 3.346 10 40 EGCB Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 1602789 PRTJJFWCXPFMPU-UHFFFAOYSA-N 331.422 3.193 10 40 EGCB COc1ccccc1/C=C1\SC(=S)N(CN2CCCCC2)C1=O 108203901 KZPLIZQVFHESMW-PTNGSMBKSA-N 348.493 3.340 10 40 EGCB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(N2CCCCC2)cc1 89948921 ZWSQGMGZJLAYJT-CTNGQTDRSA-N 343.515 3.414 10 40 EGCB CCN(CC)c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 79390678 UIGVCVPQTJYMNS-UHFFFAOYSA-N 341.411 3.300 10 40 EGCB CCOc1cc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)ccc1O 3636023 JLVSTIDDZNQQSP-YUSFRKCESA-N 346.452 3.493 10 40 EGCB Cc1cc(C(=O)CSc2nncn2C)c(C)n1-c1ccccc1 3432384 RLUARRHHWDZDFP-UHFFFAOYSA-N 326.425 3.198 10 40 EGCB Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 6523473 KHXBNYFXWAHCLK-UKTHLTGXSA-N 340.404 3.340 10 40 EGCB O=C(Nc1cccnc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 44972849 UOLMTRIJKPTIPA-INIZCTEOSA-N 327.384 3.000 10 40 EGCB O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1cccnc1 34904110 HINYIERVPNYKAI-ZROIWOOFSA-N 327.434 3.352 10 40 EGCB Cc1cc(C(=O)Nc2c[nH]ccc2=O)c(C)n1-c1ccccc1F 64458705 KFHPEJPDWLBHMI-UHFFFAOYSA-N 325.343 3.174 10 40 EGCB Cc1ccc(N2C(=O)/C(=C/c3cccn3C)C(O)=NC2=S)cc1 1251400 ZVPPWSKNOPHNQR-GXDHUFHOSA-N 325.393 3.005 10 40 EGCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C1/C(=O)Nc2ccccc21 5546863 PTUIBTCSSXZUDP-ISLYRVAYSA-N 331.375 3.432 10 40 EGCB COc1ccc(Cl)cc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1=O)C2(C)C 100868461 FYHCKNAQYIYBKZ-ROUUACIJSA-N 349.814 3.252 10 40 EGCB CCOCc1cc(CNC[C@H]2CCCn3cc(C)nc32)ccc1OC 89987051 LBYYZKAHRBBQRA-QGZVFWFLSA-N 343.471 3.404 10 40 EGCB C[C@@H]1CCCN(c2ccc(CNC(=O)CC3CCN(C)CC3)cc2)C1 216904917 WWGNPOMHIWAMFI-QGZVFWFLSA-N 343.515 3.271 10 40 EGCB O=C1/C(=C\Nc2ccccn2)C(C(F)(F)F)=NN1c1ccccc1 102963310 OFJQOXZGRZDFKO-BENRWUELSA-N 332.285 3.343 10 40 EGCB C[C@@H](NC(=O)c1ccc(O)c(O)c1)c1nc(-c2cccnc2)cs1 95997798 NGHFFFIRMFRLJQ-SNVBAGLBSA-N 341.392 3.107 10 40 EGCB COc1ccccc1/C=C1\SC(=S)N(C[C@@H]2CCCO2)C1=O 1022077 MHMDNFUWYBZSGB-CJAAZZPWSA-N 335.450 3.075 10 40 EGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2F)SC1=S 5374098 UVENSBNAADANJK-RDQDRAATSA-N 339.413 3.136 10 40 EGCB CC[C@H](NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccccc1O 156763928 ROCXAIJDYGTRRQ-NSHGMRRFSA-N 332.488 3.201 10 40 EGCB CCCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)NC1=S 2752156 HVBYISIWBRVCJU-SSZFMOIBSA-N 331.485 3.391 10 40 EGCB CCn1c(C)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 409399614 KTHXRQKNHRDCQQ-AQTBWJFISA-N 345.402 3.431 10 40 EGCB CC(C)[S@](=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 71921242 IWTHGPUTVQSZJA-XMMPIXPASA-N 344.480 3.199 10 40 EGCB COc1ccc(N2CCN(C[C@@H](O)c3cc(C)sc3C)CC2)cc1 19567885 MNOCVOFEVNYYQM-LJQANCHMSA-N 346.496 3.229 10 40 EGCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc[nH]3)SC2=S)cc1 409348718 OSOHOJQWZQSMMS-GXDHUFHOSA-N 329.450 3.487 10 40 EGCB Cc1ccc(NCc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 98086964 QKHIHFBCILFKEC-UHFFFAOYSA-N 327.384 3.352 10 40 EGCB CCOc1cc(-c2cc(-c3ccc(O)c(O)c3)nn2C)ccc1O 257303669 SIENEDBCUCLKSY-UHFFFAOYSA-N 326.352 3.270 10 40 EGCB Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5097830 DWLSVBRSBZNLPV-LJQANCHMSA-N 325.456 3.094 10 40 EGCB Cc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)cc1 5543136 NKDUEKMILMQTRX-DHDCSXOGSA-N 326.783 3.418 10 40 EGCB Cc1ccc(CNC(=O)C2CCN(Cc3ccccc3O)CC2)cc1 4700114 YDJMRAXHAWFMKE-UHFFFAOYSA-N 338.451 3.229 10 40 EGCB COCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)C(C(=O)OC)=C1C 408976130 PLPRGUHLDXNETH-PTNGSMBKSA-N 349.814 3.049 10 40 EGCB CC(C)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9137884 XXMBNZFZOSPJNZ-HXUWFJFHSA-N 343.515 3.368 10 40 EGCB O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccccc1F 31091097 OSRZJFIKYAXQQC-UHFFFAOYSA-N 327.403 3.425 10 40 EGCB CCNC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F 51971426 OCSGQLOGSOGWQT-UHFFFAOYSA-N 343.374 3.341 10 40 EGCB CCOC(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 4745646 DCJQZZMZLWBNSO-FNIWZSMSSA-N 347.461 3.397 10 40 EGCB CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(O)cc3)C(=O)N=C2S1 4001153 CLFNQDNNQMDVQA-WVXZETEUSA-N 342.424 3.448 10 40 EGCB COc1cc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)ccc1O 252482768 DNITUDFXBMEJOH-UHFFFAOYSA-N 349.742 3.133 10 40 EGCB COC(=O)CN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S 1238464 KMDDPBROWBYBPP-ZROIWOOFSA-N 343.429 3.214 10 40 EGCB COc1ccc(N2CCN(c3nc4ccc(F)cc4o3)CC2)cc1 1642419437 DLPCQWCWMYHHMT-UHFFFAOYSA-N 327.359 3.302 10 40 EGCB CCOC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 3009668 XWZRDFLUUGPBAL-JXAWBTAJSA-N 338.407 3.087 10 40 EGCB COC(=O)C1=CN(c2ccccc2C)c2cc(F)ccc2S1(=O)=O 64979175 MZCKVUINQWOCDE-UHFFFAOYSA-N 347.367 3.074 10 40 EGCB COc1ccc(-c2cnc(NCc3ccc(O)c(O)c3)n2C)cc1 199412873 AQQQDGLWSMMOFH-UHFFFAOYSA-N 325.368 3.119 10 40 EGCB Cc1cc(O)c(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1C 54471300 OTTDFBODUGTISW-HNNXBMFYSA-N 344.499 3.480 10 40 EGCB Fc1cc(CN[C@@H]2CCc3ccccc32)ccc1N1CCOCC1 66970553 UTHRQDNUVKUVHN-LJQANCHMSA-N 326.415 3.439 10 40 EGCB CC(C)c1ccc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)cc1 1314548 ZMIRUUDEIHTNIN-SEEODLKFSA-N 335.450 3.484 10 40 EGCB Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc(O)c(O)c1 7129573 JANNEQMZMHQJJJ-UHFFFAOYSA-N 340.404 3.473 10 40 EGCB O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1c1ccccc1F 17043142 FQXKONSZZGCYKY-FMVMLBDOSA-N 326.283 3.482 10 40 EGCB O=C1N=C(N2CCCCC2)S/C1=C\c1cnn(-c2ccccc2)c1 8117861 NGIIJQZVZUYYHH-WJDWOHSUSA-N 338.436 3.329 10 40 EGCB O=C(O)CN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 966941 MCMUUPOKFPCOKG-RUDMXATFSA-N 348.232 3.279 10 40 EGCB COCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2C)SC1=S 5881325 CDFYZUGIJUBTSM-SAIXKJTDSA-N 347.461 3.242 10 40 EGCB O=C1/C(=C/c2cccc(O)c2)C(O)=NC(=S)N1c1ccccc1F 59135727 NZTIWVPLZZHXHL-FMIVXFBMSA-N 342.351 3.203 10 40 EGCB Cc1ccc([C@]2(O)CN3CCCSC3=[N+]2Cc2ccccc2)cc1 239739 YJILHKICIZMOQN-HXUWFJFHSA-N 339.484 3.161 10 40 EGCB O=C1N=C(Nc2cccnc2)S/C1=C\C1=Cc2ccccc2OC1 54360802 POBLIQQWZCLEBG-SXGWCWSVSA-N 335.388 3.483 10 40 EGCB Cc1cc(C)n(Cc2cccc(C(=O)NCc3ccccc3O)c2)n1 58323110 MLTOSDWTJIHOLG-UHFFFAOYSA-N 335.407 3.184 10 40 EGCB Cc1c(O)cccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 95978642 AOOYZBOHBWHDEP-INIZCTEOSA-N 341.407 3.228 10 40 EGCB Cc1ccsc1CNCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 54179224 MAPQVCALBZZBLP-INIZCTEOSA-N 343.496 3.048 10 40 EGCB CC(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 5508707 FTLADEQPUNESHX-UHFFFAOYSA-N 335.381 3.015 10 40 EGCB COc1cc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)ccc1O 382561 MLYIUXBFWRIVTK-GPILYODUSA-N 332.425 3.103 10 40 EGCB COc1cc(/C=C2/SC(Nc3ccccc3O)=NC2=O)ccc1O 1452216 NIIMCGPWLIQTOH-OQLLNIDSSA-N 342.376 3.189 10 40 EGCB Cc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)sc1C 48262069 DCWMDIHQZWWOEK-UHFFFAOYSA-N 344.480 3.474 10 40 EGCB COCCN1C(=O)/C(=C/c2cc(C)n(C3CC3)c2C)SC1=S 409134727 SZTWYMVJDPHUEU-ZROIWOOFSA-N 336.482 3.287 10 40 EGCB CN1CCC(CC(=O)NCc2ccc(N3CCCCC3)cc2)CC1 216899686 HRPAUDITYQHZQF-UHFFFAOYSA-N 329.488 3.025 10 40 EGCB CC1=C[C@@H](OC(C)(C)C)[C@@H]2C(=O)c3c(O)ccc(O)c3C(=O)[C@@H]2C1 102529992 KQBFSZVDTUWIAF-LERXQTSPSA-N 330.380 3.243 10 40 EGCB CC(C)(C)c1cc(CN2CCNC(=O)CC2)c(O)c(C(C)(C)C)c1 44781275 XAUIKYWCBKMONM-UHFFFAOYSA-N 332.488 3.309 10 40 EGCB CC(=O)Nc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)c(=O)oc2c1 5498735 QASQDCHYBPEMDA-UXBLZVDNSA-N 349.390 3.383 10 40 EGCB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cc2ccc(N)cc2)c1 95956831 PYWRJJILAQUFHH-GOSISDBHSA-N 340.423 3.192 10 40 EGCB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(N2CCCCC2)cc1 89948922 ZWSQGMGZJLAYJT-FPOVZHCZSA-N 343.515 3.414 10 40 EGCB N=C(NO)c1cccc(/C=C/c2cc(O)c(O)cc2Br)c1 1772598906 ORMIOBDMECQFGI-SNAWJCMRSA-N 349.184 3.335 10 40 EGCB Cc1cc(C)cc(-n2c(C)cc(/C=C3\NC(=S)NC3=O)c2C)c1 13800218 NCCLMXWXIXPDQJ-SXGWCWSVSA-N 325.437 3.056 10 40 EGCB COc1ccc(N2CCN(C(=O)OCc3ccccc3)CC2)cc1 74927783 JXYNCVABGNOPRW-UHFFFAOYSA-N 326.396 3.154 10 40 EGCB COc1ccc(N2CCN(C[C@@H](O)c3ccc(C)cc3C)CC2)cc1 65255258 AJHMJOYIXVDZAP-OAQYLSRUSA-N 340.467 3.168 10 40 EGCB CC(C)Cc1noc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)n1 69595227 CFVLUBUHWOJVGY-INIZCTEOSA-N 345.443 3.155 10 40 EGCB Oc1cc(Cl)ccc1C1=NN[C@@H](c2ccc3c(c2)OCCO3)C1 557871 JUPPXCSOXGXPMQ-CYBMUJFWSA-N 330.771 3.256 10 40 EGCB COc1ccc2c(c1)CCCN2Cc1cc(=O)n2c(C)csc2n1 27579706 KBAXROFJOHXRIX-UHFFFAOYSA-N 341.436 3.026 10 40 EGCB CCN1C(=O)C(=Cc2ccc3ccccc3c2)C(=O)N(CC)C1=S 9234467 CRFVVKGZHPEDIF-UHFFFAOYSA-N 338.432 3.219 10 40 EGCB Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 14011214 RGYCXNARJMLBFR-XNTDXEJSSA-N 340.766 3.315 10 40 EGCB O=C(C[C@H]1SC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccccc1 12289132 PWFNRVWAJURZKR-CQSZACIVSA-N 344.367 3.423 10 40 EGCB O=C1N=C(O)/C(=C/c2nc3ccccc3[nH]2)C(=O)N1c1ccccc1 8973212 VWBLZWIJPKTKPD-BENRWUELSA-N 332.319 3.070 10 40 EGCB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc[nH]3)S2)cc1 101013518 ONZCRWXHWAQOBZ-NTEUORMPSA-N 326.381 3.056 10 40 EGCB Cc1cc(O)c(CN2CCC[C@H](C(=O)NC3CC3)C2)cc1C(C)C 50900629 OTRCGAJHPXJTBE-HNNXBMFYSA-N 330.472 3.315 10 40 EGCB CN(C)c1ccc(CNC(=O)c2ccn(-c3ccc(F)cc3)n2)cc1 36392538 VBXAKKMHQCZKGL-UHFFFAOYSA-N 338.386 3.007 10 40 EGCB Nc1cccc(-c2csc(NS(=O)(=O)c3ccccc3)n2)c1 20336480 DNQYYEDOTAYWNU-UHFFFAOYSA-N 331.422 3.193 10 40 EGCB Cc1nc(CSCCC(=O)NCc2ccc(N(C)C)cc2)cs1 32413376 GYTROGCFFAYEOW-UHFFFAOYSA-N 349.525 3.457 10 40 EGCB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc3cccnc13)C(=O)C2=O 101421711 ISEZCPGSEAIFJM-WOJBJXKFSA-N 336.391 3.138 10 40 EGCB CCOCc1cc(CNC[C@@H]2CCCn3ccnc32)ccc1OC 84802762 GVKXNSQXWJOQEJ-INIZCTEOSA-N 329.444 3.095 10 40 EGCB O=C1N=C(O)/C(=C/c2cccs2)C(=O)N1Cc1ccc(F)cc1 9059094 GYIGZACWAPWURC-JYRVWZFOSA-N 330.340 3.390 10 40 EGCB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1F 59435753 RGAUXLXHAAXYLM-GDNBJRDFSA-N 341.338 3.292 10 40 EGCB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1O 59435671 CIERJAIJVJWBGB-ATVHPVEESA-N 349.386 3.265 10 40 EGCB Cc1cc(C)c(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1C 96663493 XAWITOWUSVAYEP-MDWZMJQESA-N 335.450 3.288 10 40 EGCB CN(Cc1ccccc1O)C(=O)Nc1cccc(-c2nccn2C)c1 77445850 GIZVRCQVOSVDSA-UHFFFAOYSA-N 336.395 3.457 10 40 EGCB CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc1 69727 UHFNLDHHSVFCGK-KRWDZBQOSA-N 345.443 3.112 10 40 EGCB COCCCN1C(=O)S/C(=C/C=C/c2ccc(N(C)C)cc2)C1=O 409241195 JIJCVKVKEQLNSQ-ANSBUGDOSA-N 346.452 3.382 10 40 EGCB CCCN1C(=O)/C(=C\c2ccccc2OCC)C(C(=O)OC)=C1C 2648441 DYVLEKCBWNYZQH-QINSGFPZSA-N 329.396 3.168 10 40 EGCB Oc1cc2c(cc1[C@H](c1ccccc1Cl)N1CCOCC1)OCO2 20720792 XWAOYCUGAZVUTI-SFHVURJKSA-N 347.798 3.196 10 40 EGCB CCN1CCN([C@@H](c2cccnc2)c2ccc3cccnc3c2O)CC1 21486627 HLJDMPCGMWBFHQ-FQEVSTJZSA-N 348.450 3.062 10 40 EGCB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccc(N(C)C)cc1 32914247 JQFXDMMZFMVMOL-UHFFFAOYSA-N 335.407 3.041 10 40 EGCB COc1ccc(N(C)Cc2nnc(-c3ccccc3)o2)cc1OC 58426490 VRTUQZBXSZOFGP-UHFFFAOYSA-N 325.368 3.390 10 40 EGCB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(C(F)(F)F)c1 4501957 ZMYVSOZETXJCRI-UVTDQMKNSA-N 332.281 3.167 10 40 EGCB Cc1ccc(-n2c(C)cc(C(=O)CSc3n[nH]c(N)n3)c2C)cc1 5932014 SXQULVZEPHERQM-UHFFFAOYSA-N 341.440 3.078 10 40 EGCB CN(C)c1ccc(Cn2nccc2NC(=O)CSC(C)(C)C)cc1 98080392 ZMFAFQRDGNTNJD-UHFFFAOYSA-N 346.500 3.468 10 40 EGCB O=C(O)CCN1C(=O)/C(=C/c2cc3ccccc3o2)SC1=S 96931587 KSMLCXVTHWDYSA-WQLSENKSSA-N 333.390 3.109 10 40 EGCB CN(Cc1ccccc1O)C(=O)Cn1c(C2CC2)nc2ccccc21 69618546 VDSZWNBXCCTOOP-UHFFFAOYSA-N 335.407 3.278 10 40 EGCB CCCCN1C(=O)/C(=C\c2ccccc2OC)C(C(=O)OC)=C1C 409202075 ZFXHHRMCHTUQGH-QINSGFPZSA-N 329.396 3.168 10 40 EGCB CCO[C@H]1C[C@@H](N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C 93605246 QCQYPAWGPYOPNJ-MOPGFXCFSA-N 332.488 3.159 10 40 EGCB CCOC(=O)[C@H](/N=N/c1ccc(C)cc1Br)C(C)=O 104243202 TWURBUNOBXNZFQ-IUDBQGPFSA-N 327.178 3.362 10 40 EGCB O=C(NCc1ccco1)N(Cc1ccco1)Cc1ccccc1O 48234280 MEKANXNVJURQNH-UHFFFAOYSA-N 326.352 3.490 10 40 EGCB CCCOc1ccc(Cl)cc1/C=C1/SC(NC(C)=O)=NC1=O 2815205 FJDPEJOBURPTCE-MDWZMJQESA-N 338.816 3.235 10 40 EGCB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccs2)SC1=S 5551848 YIWHPMRCTGCDDD-VUBLIPMDSA-N 341.479 3.449 10 40 EGCB O=C(CCNCc1cc(Cl)cc(Cl)c1O)N1CCCCC1 71792539 JBSZAFIWXYFAHT-UHFFFAOYSA-N 331.243 3.191 10 40 EGCB CN1C(=O)/C(=C/c2ccc(Br)cc2F)SC1=S 96930754 KAYWLOJUJVCLGQ-WTKPLQERSA-N 332.219 3.419 10 40 EGCB O=C1/C(=C/c2ccccc2F)SC(=S)N1C(=O)c1cccnc1 3148086 REXCTVGMABKDGU-JYRVWZFOSA-N 344.392 3.262 10 40 EGCB COc1ccc(N2CCC(N(C)Cc3nnc(C(C)C)o3)CC2)cc1 72801400 MXDQHWSIAVXCJJ-UHFFFAOYSA-N 344.459 3.302 10 40 EGCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1 408896248 WZZJMDUQVSKXNE-ATVHPVEESA-N 335.359 3.269 10 40 EGCB CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1ccccc1O 19527142 RUZCSTNJDIPAJZ-IBGZPJMESA-N 325.456 3.274 10 40 EGCB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)s3)C2=O)c1 408968089 WIQZSSBSCSRFKQ-XYOKQWHBSA-N 346.795 3.376 10 40 EGCB CN(Cc1ccccc1O)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 53916482 XDTZOBRGPSVTNX-UHFFFAOYSA-N 327.428 3.493 10 40 EGCB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1770103 FVLKKHRUPRHFJS-RDQDRAATSA-N 339.413 3.136 10 40 EGCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 409232056 NQYYXXONQRDTGT-LFIBNONCSA-N 338.411 3.100 10 40 EGCB CN(Cc1noc2c1C[C@H](NCc1ccccc1)CC2)c1ccncc1 2055738689 KLMHXJYHKALVTN-QGZVFWFLSA-N 348.450 3.353 10 40 EGCB CCN1C(=O)N/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O 409174472 UJYJEVXPYLASMC-YVLHZVERSA-N 339.395 3.015 10 40 EGCB CC(C)c1ccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1 1314546 ZMIRUUDEIHTNIN-XNFYSYIQSA-N 335.450 3.484 10 40 EGCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCCOC 100423313 CUKMQDUFIPPRQQ-JXAWBTAJSA-N 345.443 3.098 10 40 EGCB CC(C)(C)c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1 96663456 CBRJJVMVLFDJFO-XYOKQWHBSA-N 335.450 3.270 10 40 EGCB Cc1ccc(-c2cnc(SCC(N)=O)n2Cc2ccccc2)cc1 44085435 IRIXWQUGEIIESX-UHFFFAOYSA-N 337.448 3.484 10 40 EGCB CCN1C(=O)/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)SC1=S 113830984 GUJSQEWFAKEYAD-RUDMXATFSA-N 344.801 3.175 10 40 EGCB COc1ccc(OC)c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)c1 100870233 VHAKJAKNQVQSIZ-FOWTUZBSSA-N 337.379 3.422 10 40 EGCB O=[N+]([O-])c1ccc(O)c(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 89782874 QDYJQBCDOKCQII-MSOLQXFVSA-N 346.358 3.449 10 40 EGCB O=C1N=C(O)/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1 9014064 TWOGCANPKPEJAI-UHFFFAOYSA-N 331.331 3.425 10 40 EGCB Nc1ccc(Cn2cnc(C(=O)Nc3ccc(Cl)cc3)c2)cc1 71775334 JFJWXAUYZPDVGV-UHFFFAOYSA-N 326.787 3.419 10 40 EGCB Cc1ccc(N2C[C@](O)(c3ccc(F)cc3)[N+]3=C2SCCC3)cc1 3912319 AUUCPZJZXVDVKV-IBGZPJMESA-N 343.447 3.305 10 40 EGCB CN(C)C(=O)c1ccc(/N=N/c2c(N)nn(-c3ccccc3)c2N)cc1 55104267 ZNFFGIDWHQEUKC-QURGRASLSA-N 349.398 3.154 10 40 EGCB CCc1ccccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 408536300 VYYPPCKNTGCNSQ-NTCAYCPXSA-N 349.390 3.136 10 40 EGCB CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1n[nH]c2ccccc12 72966521 USXDYLTYIWESRQ-UHFFFAOYSA-N 334.423 3.435 10 40 EGCB O=C(NCCCSc1nccs1)c1cc(Br)c[nH]1 79310620 RYCUJDFFLPOISE-UHFFFAOYSA-N 346.275 3.146 10 40 EGCB COC(=O)c1ccccc1N/C=C1/C(=O)N(c2ccccc2)N=C1C 100821571 HLQXYIORVIMPJT-FOWTUZBSSA-N 335.363 3.192 10 40 EGCB Nc1nc(Cl)c(/N=N\c2ccc(Cl)cc2)c(NCCO)n1 100531707 BCIQIIHTZDKMTR-VXPUYCOJSA-N 327.175 3.185 10 40 EGCB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccn1 112111768 BABAJNPGBQVNTQ-WJDWOHSUSA-N 337.339 3.098 10 40 EGCB O=C1N=C(Nc2ccccn2)S/C1=C\c1cnc2ccccc2n1 54361173 GMUFBSKXWFWRFP-ZROIWOOFSA-N 333.376 3.107 10 40 EGCB CCCN1C(=O)N/C(=C/c2ccc(N3CCCCC3)c(F)c2)C1=O 409245041 MMGPIVMBONYBRU-NTCAYCPXSA-N 331.391 3.119 10 40 EGCB CN(Cc1ccccc1O)C(=O)Nc1ccc2c(c1)CCCN2C 64561491 XSNMBKPMYFRIBA-UHFFFAOYSA-N 325.412 3.439 10 40 EGCB COC(=O)[C@@H](C)N1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 12635873 XJYSNKHZUSTDPK-IKQDFWPZSA-N 333.434 3.006 10 40 EGCB CCOc1c(/N=N\c2ccc([N+](=O)[O-])cc2)c(C)nn1C(N)=S 104237552 AXPREUUZHKSUGF-NXVVXOECSA-N 334.361 3.006 10 40 EGCB COc1ccccc1/C=C1\C(=O)N(c2ccccc2)C(=S)N=C1O 33807112 LZBZWDKZQGUPKB-KAMYIIQDSA-N 338.388 3.367 10 40 EGCB CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cc([N+](=O)[O-])ccc1O 4248212 WUJQCBQAKUHWKM-ZDUSSCGKSA-N 345.380 3.450 10 40 EGCB C[C@H](Sc1ccccc1)C(=O)NCc1cc([N+](=O)[O-])ccc1O 14015392 ZXIGWUFEJPXQCE-NSHDSACASA-N 332.381 3.097 10 40 EGCB COc1cccc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)c1O 573400 DTHRZZPHADEOPT-HOXUKUGESA-N 332.425 3.103 10 40 EGCB CC(=O)Nc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 1415656 CANFXJLHXUXWJQ-RVDMUPIBSA-N 329.425 3.101 10 40 EGCB COc1ccc(CN2C(=O)/C(=C/c3ccc[nH]3)SC2=S)cc1 409133612 MQAYHNHVZTVMHX-ZROIWOOFSA-N 330.434 3.425 10 40 EGCB COc1ccc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)cc1 58179139 HSWAFJODHDXJIF-AWEZNQCLSA-N 330.432 3.085 10 40 EGCB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1F 408900740 UIUPPELOKLJFPX-UKTHLTGXSA-N 344.729 3.146 10 40 EGCB Cc1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)cs2)cc1 41530793 CROAUHJFXAHDSP-UHFFFAOYSA-N 331.422 3.314 10 40 EGCB COc1ccc(OC)c(C[C@H]2SC(=S)N(CC(C)C)C2=O)c1 6326145 KEACOBZOEBBTFD-CQSZACIVSA-N 339.482 3.131 10 40 EGCB Cc1ccc(C)c(NS(=O)(=O)c2c(C)ccc3nsnc23)c1 296712 PFNUUUINXPEFHV-UHFFFAOYSA-N 333.438 3.417 10 40 EGCB COc1ccc(N=NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 299888611 QEEFJGYSUOAAFS-HNNXBMFYSA-N 327.340 3.184 10 40 EGCB O=C(O)CCN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 3570672 WBWMFHLPCJCVFY-UXBLZVDNSA-N 345.804 3.155 10 40 EGCB COc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)cc3N1CC2 1624477 HSVWVJHFMUWLHL-INIZCTEOSA-N 341.407 3.381 10 40 EGCB COc1cccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)c1 5157846 NVDFUGFPBJTIBA-UVTDQMKNSA-N 330.434 3.440 10 40 EGCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(C)o3)C(=O)NC2=S)c1 409242871 PKLUSTBSXASMHM-NTEUORMPSA-N 340.404 3.036 10 40 EGCB CC1(C)CC(=O)c2cc(CC(=O)O)n(-c3ccc([N+](=O)[O-])cc3)c2C1 72221220 FYBLRLVNNMAVGS-UHFFFAOYSA-N 342.351 3.168 10 40 EGCB COc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1 225559049 ZMEYYFWCTKEVCH-UHFFFAOYSA-N 341.480 3.434 10 40 EGCB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccccc2F)SC1=S 5374089 OJUCREJVBUDUDF-LCFDYFRESA-N 339.413 3.280 10 40 EGCB CCN1CCN([C@H](c2cccnc2)c2ccc3cccnc3c2O)CC1 21486629 HLJDMPCGMWBFHQ-HXUWFJFHSA-N 348.450 3.062 10 40 EGCB CN(CCO)c1ccc(CN[C@@H]2CCSc3ccccc32)cc1 12542031 KHXQPHFVQACZNX-GOSISDBHSA-N 328.481 3.442 10 40 EGCB O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1 5653016 QFIXZGUKBFPDOY-UHFFFAOYSA-N 329.736 3.009 10 40 EGCB CCN(CC)c1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1 225020693 DTBJSSQLBGZHGC-UHFFFAOYSA-N 342.439 3.480 10 40 EGCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCCCC2)cc1 4541650 XXIJDLXQFNUBPP-UHFFFAOYSA-N 340.423 3.263 10 40 EGCB O=C(Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O)c1ccco1 4954373 WVKPBRFNNKYIPA-UHFFFAOYSA-N 333.299 3.013 10 40 EGCB Oc1cc2c(cc1CN1CCN(c3ccc(F)cc3)CC1)CCC2 3345345 RCBTWVBDRPLFNR-UHFFFAOYSA-N 326.415 3.342 10 40 EGCB O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1 408873686 WFUSKQFSGSYWAS-UVTDQMKNSA-N 342.807 3.171 10 40 EGCB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1 730679 KHONQAPNGLNKBE-RIYZIHGNSA-N 333.174 3.455 10 40 EGCB Cn1cc(CNCc2ccc(N3CCCC3)cc2)c(-c2cccnc2)n1 97159943 PUKJGTYBPAIYAB-UHFFFAOYSA-N 347.466 3.372 10 40 EGCB Oc1ccc(Br)cc1CN1CCc2nc[nH]c2C12CCC2 585117364 ZKRQOSHLADIPFN-UHFFFAOYSA-N 348.244 3.315 10 40 EGCB COc1ccc(N2CCCCC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 10119476 KTTCQFJAAWFKOH-UHFFFAOYSA-N 345.355 3.439 10 40 EGCB CN(Cc1nc2ccccc2s1)Cc1cc2c(cc1O)OCO2 65603959 IEJPYIDDVLGHBU-UHFFFAOYSA-N 328.393 3.363 10 40 EGCB CCN1C(=O)/C(=C/c2ccc(O)c(Br)c2)SC1=S 6779622 SAFMAIWKWKCBCB-POHAHGRESA-N 344.255 3.376 10 40 EGCB Cc1cccc(CN2CCN(Cc3cccc(C)c3O)CC2)c1O 19313348 OZEKCGOUMKDWNS-UHFFFAOYSA-N 326.440 3.032 10 40 EGCB COc1ccc(N2CCN(C[C@H](O)c3cc(C)sc3C)CC2)cc1 19567888 MNOCVOFEVNYYQM-IBGZPJMESA-N 346.496 3.229 10 40 EGCB